smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(=O)c2c(nc(NN=Cc3ccc([N+](=O)[O-])cc3)n2CCO)n(C)c1=O 254701178 KERRDMUMOLTXIG-UHFFFAOYSA-N 387.356 -0.220 30 10 GBEE CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CN(C)C(=O)[C@H]1C 349494697 NYWUJLPVNOVEOS-NEPJUHHUSA-N 380.492 -0.706 30 10 GBEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)cc1F 574926795 NGBUOTXNZWZURB-UHFFFAOYSA-N 389.430 -0.024 30 10 GBEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 585673793 SNAFZZYXVJVGJB-PBBHFIAVSA-N 399.407 -0.216 30 10 GBEE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 595186712 QIUUODWQUSTEEI-LBPRGKRZSA-N 375.454 -0.137 30 10 GBEE CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 654843635 NRAGUXPPBVXIFC-IFXJQAMLSA-N 386.408 -0.088 30 10 GBEE C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 784868872 KTBMTLUOXRXGAI-UHFFFAOYSA-N 377.422 -0.355 30 10 GBEE C=CCN1C(=O)c2ccc(C(=O)NCCC(=O)NS(C)(=O)=O)cc2C1=O 800550986 LWHFWMSPUIRHNH-UHFFFAOYSA-N 379.394 -0.336 30 10 GBEE C#CCN(c1nnc([C@]2(O)CCOC2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1123432071 DQGQHLOLZUXUJC-PBHICJAKSA-N 380.470 -0.077 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1286965177 HNEWPIIYFAOKPQ-NWDGAFQWSA-N 383.478 -0.284 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCN1C(=O)c1cscn1 1332372047 KQFDZUUHGKBDMV-YVEFUNNKSA-N 391.453 -0.307 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359301069 QVTHFUHAWRTFQY-UONOGXRCSA-N 389.460 -0.360 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c(=O)n1C 1559448576 HGOMDCUTJQUWCH-UHFFFAOYSA-N 387.440 -0.412 30 10 GBEE C=CCNC(=O)NC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1568221203 HWXJHHJAQITLRW-UZVBGSJOSA-N 392.456 -0.761 30 10 GBEE NC(=O)[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698500941 ZEVUWIUMCFMCQR-KNEMVRMJSA-N 385.428 -0.007 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)CCO1 1770748797 RQHYCTZPVDPYOD-ZIAGYGMSSA-N 399.411 -0.133 30 10 GBEE Cn1c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(=O)n(C)c1=O 1849798743 CGBHPVANTPZJTA-UHFFFAOYSA-N 389.437 -0.533 30 10 GBEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C(=O)C2)C1 1853639354 XSLNJYVMAIMVPB-HZPDHXFCSA-N 398.529 -0.268 30 10 GBEE Cn1cc(C#N)c(=NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)[nH]1 1890837803 ICSJDZLVPLIVKU-NSHDSACASA-N 383.430 -0.410 30 10 GBEE C=C[C@@]1(CO)COCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1992862329 GNPXIRXUELTPCJ-QGZVFWFLSA-N 380.422 -0.138 30 10 GBEE COC[C@@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267368081 DENXEBYRTCGXNB-SNVBAGLBSA-N 375.256 -0.995 30 10 GBEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[S@](C)=O 2267716737 ROCHQVKUDRRECB-JUZXBQNTSA-N 391.324 -0.235 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)s1 2281947117 SNSCXEKPSJPIGC-VOAKCMCISA-N 383.275 -0.059 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CC3(C2)OC[C@H](O)[C@@H]3O)OC1(C)C 2282004771 LQVWGPOCPUHTNF-QWRGUYRKSA-N 382.247 -0.611 30 10 GBEE CC(C)OC(=O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282290734 BCXLNIMCBKBJQI-UHFFFAOYSA-N 388.255 -0.656 30 10 GBEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1nc[nH]n1 2282493346 VWRRCAQZSNADBR-VIFPVBQESA-N 382.255 -0.123 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCOC1 2282847468 ZIRCQEQIZHVWNL-WDEREUQCSA-N 386.283 -0.182 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CNC(=O)C1 2282864708 JXIJEGAIAKDDBY-JTQLQIEISA-N 384.267 -0.866 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(F)(F)C(=O)O 2284401983 FPGVDGABQIWGBQ-UHFFFAOYSA-N 395.193 -0.283 30 10 GBEE CO[C@@H]1[C@@H](O)C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2286749628 REBBLWXWCNOMBM-NRUUGDAUSA-N 387.267 -0.854 30 10 GBEE N[C@@H](CS)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 22052053 FBRCSVAGDWAZCU-NOHGZBONSA-N 389.547 -0.798 30 10 GBEE in-vitro C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1=O 375289749 UKCVSBVQEHMHAF-UHFFFAOYSA-N 386.412 -0.088 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCO)[C@H](C)C1 428144021 YBNPFJIICBLYMZ-ZIAGYGMSSA-N 380.470 -0.250 30 10 GBEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 590281235 NGBOVGYCGRUERL-HUUCEWRRSA-N 379.424 0.548 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CC)[C@@H]2CCN(CC)C2)CC1 658830181 RBRLOMHMFVDMBH-MRXNPFEDSA-N 379.505 -0.625 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nnc(O)n3CC)CC2)C1=O 677913894 ZJUVXGCJCLRYPU-UHFFFAOYSA-N 390.400 -0.314 30 10 GBEE NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C#CC3CCNCC3)CC2)o1 852816814 GSGIVKJPNHTCCT-UHFFFAOYSA-N 394.453 -0.786 30 10 GBEE CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117316915 FFVFUVWDDPISEC-UBQVSUSGSA-N 378.429 -0.362 30 10 GBEE C=CCN1C(=O)c2ccc(C(=O)N3CCN4CCOC[C@]4(CO)C3)cc2C1=O 1124052247 ARHMYTDSNBZTTO-HXUWFJFHSA-N 385.420 -0.012 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2CCS(=O)(=O)CC2)c1 1143781977 ZQRQADIKANWPCY-UHFFFAOYSA-N 398.506 -0.056 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC2CN(c3nccn4nc(C)cc34)C2)C1=O 1181183399 AYUCXPJNJIZZST-UHFFFAOYSA-N 397.395 -0.681 30 10 GBEE C#CCN(C(=O)Nc1ccn(CCN2CCNC2=O)n1)[C@H]1CCS(=O)(=O)C1 1209474798 JEVQREKINDQZSY-ZDUSSCGKSA-N 394.457 -0.438 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(C)(=O)=O)CC1 1286479626 HZUFBTYYPQGLBR-OAHLLOKOSA-N 396.517 -0.176 30 10 GBEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1300384389 OSYIRUCCLCFGSH-GFCCVEGCSA-N 389.503 -0.464 30 10 GBEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCn1nc2n(c1=O)CCCC2 1321826525 GXHDCZDMSXDZDD-MSUUIHNZSA-N 388.428 -0.196 30 10 GBEE N#CCN1CCC(NC(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)CC1 1329053278 GIESSWFTRLSHMG-CVEARBPZSA-N 376.461 -0.059 30 10 GBEE C#CCN(C(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1329248009 GOAWXNAKXWYPDS-CQSZACIVSA-N 397.497 -0.600 30 10 GBEE N#Cc1cccc2c1CN(C(=O)C(=O)N[C@H]1CCN(CCN3CCOCC3)C1)C2 1332794629 WPHAQECFCREFLX-SFHVURJKSA-N 397.479 -0.077 30 10 GBEE C#CCN(C(=O)C(=O)NCC[C@@H](N(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1334852141 YSDIZIZNUHMPQS-NWDGAFQWSA-N 397.419 -0.366 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H](C)CC(F)F)CC1 1336166126 SIAPCFCHRIVFLH-NSHDSACASA-N 377.421 -0.446 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1508047333 BOBGVBOCQYMNRW-WCQYABFASA-N 386.478 -0.584 30 10 GBEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@]12COCCN1C(=O)COC2 1535336737 SZTYIYAPMBLAGY-ZWKOTPCHSA-N 381.429 -0.008 30 10 GBEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1593636882 UFPFLLPEMGSFEJ-STQMWFEESA-N 383.474 -0.293 30 10 GBEE CS(=O)(=O)C[C@@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672357363 IJLWAEYGVPMLKD-LSDHHAIUSA-N 394.453 -0.636 30 10 GBEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[C@@](O)(CC#N)C1)CCS2(=O)=O 1685597471 GDDQTFMPJYKASM-MITNXELNSA-N 399.469 -0.055 30 10 GBEE C#CCN1CCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1689605254 MRSRKCDZPWUPRR-LUKYLMHMSA-N 375.469 -0.100 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1 1702198304 NKJTZRUHJDTDGA-TUVASFSCSA-N 379.413 -0.221 30 10 GBEE CCc1nnc(N2CCS(=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709164594 BLGLXVGJPNNTNJ-PFONDFGASA-N 378.458 -0.064 30 10 GBEE C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(=O)(=O)NC)cn1 1736570525 JTYFWYFKSLBYMN-KFWWJZLASA-N 376.438 -0.526 30 10 GBEE C#CCN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1759727553 QYBASGRXLUVLQM-ICCINAARSA-N 375.469 -0.076 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)CC(=O)NCCC#N)C(=O)O 2074768107 MYCKVRBBCHECCP-SNVBAGLBSA-N 377.419 -0.201 30 10 GBEE C#CCN1CCC[C@H](NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2204037538 YLFSOSHXSNELTK-DOXZYTNZSA-N 381.473 -0.067 30 10 GBEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCNC1 2282308463 RKVNHVRMQMNDMI-MNOVXSKESA-N 385.299 -0.609 30 10 GBEE Cc1nc(S(=O)(=O)N[C@H]2COC[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507728 LSPRVUAXDIFTJN-WDEREUQCSA-N 387.267 -0.934 30 10 GBEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1nn[nH]n1 2282829298 CJEXDTPHBDGRCM-QMMMGPOBSA-N 383.243 -0.728 30 10 GBEE COCCOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854295 PSPROBCEGAWRTG-UHFFFAOYSA-N 389.283 -0.339 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@H](F)C(=O)O)n1 2284397715 PBIHNURYBLGBBH-JTQLQIEISA-N 391.230 -0.190 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]1C(=O)O 2284405770 PGMGTYZPOZVJLN-BDAKNGLRSA-N 386.239 -0.792 30 10 GBEE C[C@@H](F)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284408359 VPKIOROWGCBVKM-PSASIEDQSA-N 391.230 -0.191 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)OC1(C)C 2284456064 YYJLZNDBMGURAT-GDPRMGEGSA-N 384.219 -0.927 30 10 GBEE CC1(C)OB(c2cc(C(=O)NCc3noc(C(N)=O)n3)ns2)OC1(C)C 2285751497 WMSIQCPDFFTUSD-UHFFFAOYSA-N 379.207 -0.146 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1cccnc1C#N 2358558983 BWUWXFWCJJQWJJ-SCRDCRAPSA-N 398.441 -0.427 30 10 GBEE COC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2359279178 SCLOQADIXWGFPT-SDDRHHMPSA-N 384.263 -0.365 30 10 GBEE C[C@H](C#CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2366844012 BTRLZUUKCSTAST-SNVBAGLBSA-N 383.235 -0.526 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)CN2CCCC2=O)CC1 329451393 NBHITEUPSHGNOJ-INIZCTEOSA-N 392.481 -0.152 30 10 GBEE COCCN1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1=O 364943841 BQJSNMJWXIOOQY-QGZVFWFLSA-N 379.505 -0.141 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)C1=O 427995015 UTPNUYLLBMJXTF-FLTBMGRESA-N 385.420 -0.412 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 511538088 YIZJSYPDMULZBM-UHFFFAOYSA-N 392.460 -0.863 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)n1 555330828 WQKFIDJVLKDJDW-TXEJJXNPSA-N 385.355 0.448 30 10 GBEE CO[C@]1(CO)CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 595125859 ULUIFQKQOVOQMB-LJQANCHMSA-N 398.423 0.136 30 10 GBEE CCn1[nH]c(C)nc1=NS(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1 595965586 QDUJUWQMLKUYDU-UHFFFAOYSA-N 390.491 -0.665 30 10 GBEE COC[C@]1(C)CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 599381845 CKIVTEHIIIOWPC-KRWDZBQOSA-N 378.433 -0.482 30 10 GBEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 679503146 YSSLDEOPJXCNSX-GASCZTMLSA-N 390.506 -0.130 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 730077216 OHTDMOMFLDUEMB-MRXNPFEDSA-N 392.525 -0.028 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)OCC(=O)NCc3cccc(C#N)c3)cnc21 746566540 ITHDWQCPQDDXDY-UHFFFAOYSA-N 380.364 -0.139 30 10 GBEE COc1cc(C=NNC2=NC(=O)C(=O)N2)cc(I)c1O 765595842 PYVQBJHEFVABCN-UHFFFAOYSA-N 388.121 -0.059 30 10 GBEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 785287836 WRFIIWIUAFSLDE-ZDUSSCGKSA-N 378.360 -0.234 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(N)(=O)=O)nc2)n1 788810738 GUOYITJIVYNMJJ-UHFFFAOYSA-N 377.426 -0.153 30 10 GBEE C#CCOCCNC(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 817111184 WDOZPWKMJSCZQX-CABCVRRESA-N 387.392 -0.705 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 839594802 AXPMUSJIGARHLJ-AWEZNQCLSA-N 377.422 -0.074 30 10 GBEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)cc(C(N)=O)c2)CC1 849378493 WQFHGBXQPGDCSN-UHFFFAOYSA-N 392.481 -0.460 30 10 GBEE C#CCN(C(=O)c1cc(OC)c(S(N)(=O)=O)s1)[C@H]1CCS(=O)(=O)C1 1116246917 VPYAUBOXJSIDRW-VIFPVBQESA-N 392.480 -0.333 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1O 1289082011 HIPVVDFRDICTOT-LHHMISFZSA-N 393.484 -0.038 30 10 GBEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301034491 WMPZBLHPPYQPQW-NSHDSACASA-N 388.819 -0.365 30 10 GBEE C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 1322802020 DJZFINKPLQWTJB-ZFWWWQNUSA-N 386.518 -0.413 30 10 GBEE C#CCN(C(=O)C(=O)NCC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1327118195 IDAGCVAATOPAOF-OAHLLOKOSA-N 397.497 -0.457 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)n1 1327723724 ZWJCHJBWBJHNID-GJZGRUSLSA-N 376.457 -0.033 30 10 GBEE CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1328289166 NJRYLOVKAYMZIQ-HNNXBMFYSA-N 384.440 -0.414 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1329731372 ZJOROAAGLBLEPU-GMTAPVOTSA-N 382.360 -0.719 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H](c1ccnn1C)C(C)C)[C@H]1CCS(=O)(=O)C1 1343369189 MODQDUCJXIPPFB-GJZGRUSLSA-N 394.497 -0.075 30 10 GBEE C#CCN(c1nnc(C2(O)CC2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1344341381 PPRUYFOFORVMAY-UONOGXRCSA-N 380.470 -0.077 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCc1nnc2n1CCOC2 1346196247 ZDMDEZVVNMGIPV-UHFFFAOYSA-N 377.382 -0.055 30 10 GBEE C=CCN(C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H](C)COC 1347006197 BTXDKXXUFIEGCC-MRXNPFEDSA-N 396.488 -0.961 30 10 GBEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358929896 KOGHLIPECXSTTK-KBPBESRZSA-N 392.485 -0.193 30 10 GBEE C=CCn1c(S)nc2cc(C(=O)N3CC4(C3)NC(=O)NC4=O)ccc2c1=O 1472632564 RMVZJHMPGHIXBY-UHFFFAOYSA-N 385.405 -0.095 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 1522270527 UGOAPRZYADWUHE-DGAVXFQQSA-N 376.413 -0.833 30 10 GBEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1637109924 NJXFSOVJGQPRGB-JOYOIKCWSA-N 398.363 -0.482 30 10 GBEE C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)OC 1639558359 IBDGDDKXYJKDOL-LSDHHAIUSA-N 383.445 -0.973 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722699631 LRIWZQHYFHKUOM-UHFFFAOYSA-N 377.493 -0.211 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CCS(=O)(=O)N2)OC1(C)C 2267163798 ZEUASJSISNZZGZ-SECBINFHSA-N 387.292 -0.136 30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(O)CNC2)OC1(C)C 2267463453 AICALXHTMRLUFR-UHFFFAOYSA-N 388.320 -0.199 30 10 GBEE Cn1nc(C(=O)N2CC[C@@H](O)[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282543891 MEAFYRRJLPXJLY-NXEZZACHSA-N 385.657 -0.060 30 10 GBEE CN(C1[C@H]2CNC[C@H]12)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837591 FRQRXMBRJDRTES-QWRGUYRKSA-N 382.295 -0.442 30 10 GBEE C[C@@H](F)[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284398402 XQMHHNBXWJOYNI-SFYZADRCSA-N 392.218 -0.796 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3C(=O)NC[C@H]3C(=O)O)s2)OC1(C)C 2284483944 CYASHLROAHBAQA-KCJUWKMLSA-N 380.231 -0.024 30 10 GBEE CC/N=C(/NC[C@H](C)N1CCOCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262568689 MJZGFVJBLMRPKA-DLBZAZTESA-N 381.521 -0.004 30 10 GBEE CC(C)N1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 297915223 SXDVVYNJCRAXCS-UHFFFAOYSA-N 384.440 -0.319 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2C[C@@H](C)O)CC1 410638058 PJIWAFGWNNAPDS-CVEARBPZSA-N 380.489 -0.415 30 10 GBEE CC[C@H](C)[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NCCN1CCOCC1 467270234 XYHROINBSBJFEC-DZKIICNBSA-N 391.476 -0.310 30 10 GBEE CNC(=O)Cn1nc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1C 505021476 UCDFLZUIPCRVQG-UHFFFAOYSA-N 384.396 -0.057 30 10 GBEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@@H](O)CC1(C#N)CCOCC1 599366043 JNOYZFSUIVYQNJ-GJZGRUSLSA-N 383.445 -0.562 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCN2CCCS2(=O)=O)CC1 611372024 IEVXJXWCCWJLKX-MRXNPFEDSA-N 385.534 -0.354 30 10 GBEE C=CCN(CCc1ccco1)C(=O)C(=O)N1CCO[C@H](CNC(=O)NC)C1 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30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C(=O)OC)c(C)o2)CC1 1477482289 CCKNZDCUJRYWGK-UHFFFAOYSA-N 398.441 -0.331 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCOC1 1519741705 OJLVQSCSTYQTCM-HUUCEWRRSA-N 378.477 -0.256 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 1611685598 JBTOBTIHGCYCNF-IAGOWNOFSA-N 392.481 -0.106 30 10 GBEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC#CCO)CC1 1684764800 BEEBBZKCNLOKOM-UHFFFAOYSA-N 396.425 -0.085 30 10 GBEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705904876 AZKWBNJKMYNLBE-HNNXBMFYSA-N 396.455 -0.220 30 10 GBEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1O 1735733796 XYGLGVNGTUEFHN-WFFHOREQSA-N 382.335 -0.777 30 10 GBEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760109914 HUICANQGPDQERG-LRDDRELGSA-N 378.458 -0.314 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(C[C@@H]3COCCO3)C(C)(C)C2=O)CC1=O 1856946851 UMCNVCYSCCHOBC-HUUCEWRRSA-N 379.457 -0.114 30 10 GBEE C#CC1(O)CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2244229687 UFRFHNRDOKVUSE-CYBMUJFWSA-N 382.394 -0.624 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](O)C(=O)O)c2)OC1(C)C 2256905676 NUROYMCTEAGVFC-SECBINFHSA-N 377.249 -0.229 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2ccnnc2)n1 2282488759 DPNHAZFGXZWTIP-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cc1cc(C(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282607400 KMFQFVXXRJVRCZ-YVECIDJPSA-N 383.275 -0.059 30 10 GBEE C[C@@H](F)[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284394179 VPKIOROWGCBVKM-SCZZXKLOSA-N 391.230 -0.191 30 10 GBEE C[C@H](C#CC(=O)O)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2318614078 KKBLJZFLVCZUMR-MNOVXSKESA-N 376.431 -0.093 30 10 GBEE C[C@H](N)/C(O)=N/[C@H](CC/C(O)=N/[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O)C(=O)O 31259714 FMNCPUGORYYCEM-QCLAVDOMSA-N 390.393 -0.485 30 10 GBEE in-vitro,metabolite Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)nn1CCC#N 592310717 XEGLWISXGWYHCX-ZDUSSCGKSA-N 375.433 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390.488 -0.179 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(CO)nn1 1705571568 BEGNKMKXTFASGL-UHFFFAOYSA-N 396.455 -0.239 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1705596874 PHURUBDFJMQPHL-AWEZNQCLSA-N 392.485 -0.417 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1O 1739426003 SHEKVGCFMYLJJH-NHIYQJMISA-N 388.486 -0.521 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C 1757786405 PEHXMDKLWGXBFE-ZXTQRBJTSA-N 377.445 -0.093 30 10 GBEE C=C1CCCN([C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CN3C(C)=O)C2=O)CC1 1854638368 NJNDZLZLRWNZIW-CABCVRRESA-N 383.470 -0.241 30 10 GBEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@H]2CN3CCN2CC3)c2ccccc21 1855763618 PJQWTAKMOGREPH-OAHLLOKOSA-N 389.437 -0.781 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CC3(C2)OC[C@H](O)[C@@H]3O)OC1(C)C 2282018116 SQDMKPQCZWDCMV-ONGXEEELSA-N 382.247 -0.611 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H](N)C[C@H](O)C3)c2)OC1(C)C 2282301963 INLYIBXCDPDGAR-STQMWFEESA-N 383.279 -0.537 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2ncnn2C)n1 2282502456 LKVYXUDFFPCLAG-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H](N)CC1 2282867513 ABEYOEJGNOJQHA-NSHDSACASA-N 385.299 -0.384 30 10 GBEE COc1ccc(S(=O)(=O)NOCC(N)=O)cc1B1OC(C)(C)C(C)(C)O1 2282878795 KSHMSEFMATZDTJ-UHFFFAOYSA-N 386.235 -0.310 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@]23CC[C@@H](C2)NC3)n1 2369644802 MAOMSHYJJFXKLI-ZBEGNZNMSA-N 382.295 -0.108 30 10 GBEE C=CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255280900 XMJFVIGTHMOGNZ-URYVQPGZSA-N 387.432 -0.991 30 10 GBEE in-vitro COCCCN(CCO)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410899475 NRVVNPRNCXIOED-UHFFFAOYSA-N 375.429 -0.541 30 10 GBEE CN1CC[C@@H](CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 425901774 HNHIVXADVUQMLC-CQSZACIVSA-N 384.440 -0.414 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(CC(C)C)CC2)CC1 459869645 QMEALSRJAKLUMX-UHFFFAOYSA-N 379.505 -0.767 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](CC(N)=O)C3)CC2)o1 599666911 ZUEHDYJJHDWSMP-ZDUSSCGKSA-N 376.417 -0.921 30 10 GBEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)n1 599899587 NWVOIGWEHCEJBI-ZDUSSCGKSA-N 388.815 0.440 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCc3ccc(O)cc3C2)CC1 658684620 HTHBYMHDBOJING-UHFFFAOYSA-N 386.452 -0.277 30 10 GBEE C#CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774168915 QARSETOFZSXVNW-GFCCVEGCSA-N 379.504 -0.464 30 10 GBEE Cn1cc(/C=C/C(=O)NS(=O)(=O)CC2(C#N)CCCC2)c(=O)n(C)c1=O 779314413 CSLMAYZSSBTGHQ-AATRIKPKSA-N 380.426 -0.373 30 10 GBEE CN(CC(=O)N1CCNCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 825611606 QTOUZHGHBOXDTA-UHFFFAOYSA-N 393.469 -0.995 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2CC(F)(F)F)CC1 831574481 IFLJPOJSHJUYNB-LBPRGKRZSA-N 382.408 -0.375 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CCCCN3)C2)CC1 926291389 VLJRTQGOJKEZSV-LJQANCHMSA-N 377.489 -0.823 30 10 GBEE CN(C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)S(C)(=O)=O 1136440142 CKVWFMDWVLVTPF-FOCLMDBBSA-N 384.458 -0.215 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](Cn3ccnn3)C2)cc1 1167397602 PSCSCMVHRZHHOU-AWEZNQCLSA-N 390.425 -0.644 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)CC 1300268720 VMLQSXPVWNZCOV-CYBMUJFWSA-N 382.490 -0.089 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 1323526857 NWANXGQJKVOHSX-ZDUSSCGKSA-N 386.430 -0.986 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc(-n2cnnn2)c1)[C@H]1CCS(=O)(=O)C1 1324334268 QNQUCZMGJAUTGE-AWEZNQCLSA-N 388.409 -0.750 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N2CCC(N3CC[C@H](O)C3)CC2)CCN1C1CC1 1332037601 PPIUVKAXOLYGRO-IRXDYDNUSA-N 375.473 -0.757 30 10 GBEE C#CCOCCNC(=O)C(=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)C1 1332853420 JKVMQTPNPIDZKE-NRFANRHFSA-N 399.447 -0.218 30 10 GBEE C=CCn1c(Cc2nccs2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1351595880 NTYYJTMNZYKWPO-LLVKDONJSA-N 381.487 -0.150 30 10 GBEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@@H]1CCN(O)C1=O 1450154743 GXWIVAMRNHQWQJ-NEPJUHHUSA-N 384.433 -0.002 30 10 GBEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1490794442 KYRAWSXBCXYPMR-KKOKHZNYSA-N 379.442 -0.521 30 10 GBEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1503285134 QDEGWNQHUQJPBD-KGLIPLIRSA-N 398.489 -0.160 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540863710 CGXOBXIEVPNDPV-HNNXBMFYSA-N 375.477 -0.368 30 10 GBEE C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(=O)(=O)NC)cn1 1574323323 JTYFWYFKSLBYMN-ILXRZTDVSA-N 376.438 -0.526 30 10 GBEE C#CC1(O)CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1653281446 NEZVBYYMQSRQPY-ZDUSSCGKSA-N 390.417 -0.170 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1689965899 GBFMPPAWQUDLAO-ZIAGYGMSSA-N 384.506 -0.370 30 10 GBEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)F 1690059403 PKZGCJBXNWRLKJ-JTQLQIEISA-N 392.432 -0.271 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722688954 OVXWAMYKNWWFKW-QGZVFWFLSA-N 375.433 -0.297 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 1882736616 URCMLPGBGGACOP-LNFKQOIKSA-N 392.474 -0.005 30 10 GBEE CC1(C)OB(c2csnc2C(=O)NCCCS(N)(=O)=O)OC1(C)C 2255806646 IMSITLZMJUNOAS-UHFFFAOYSA-N 375.281 -0.149 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@H]1CS2 2267347528 QYAPHKYJKXHDAF-VHSXEESVSA-N 386.308 -0.007 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@@H]1N 2282310408 SWQJGLZEKRRUKT-MNOVXSKESA-N 385.299 -0.528 30 10 GBEE COCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)COC1 2282353272 UQHRKRLKANJXMC-UHFFFAOYSA-N 387.267 -0.587 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC(O)(CN)C1 2282500738 MYJHYUGPAAFZCJ-UHFFFAOYSA-N 382.291 -0.012 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3C[C@@H](O)[C@@H](O)[C@@H]3C(=O)O)s2)OC1(C)C 2359399609 NDBVDCOCMJLBCY-GGZOMVNGSA-N 383.231 -0.322 30 10 GBEE [N-]=[N+]=Nc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@H]1O 33753379 WBNLOBMXJJDNDM-UMMCILCDSA-N 386.221 -0.582 30 10 GBEE CCO[C@@H]1C[C@@](NS(=O)(=O)N2CCO[C@@H](C#N)C2)(C(=O)OC)C1(C)C 410421039 TZBHROPILXXOIB-YWPYICTPSA-N 375.447 -0.208 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CCO)Cc2ccccc2)CC1 459810512 QRRAZGLNTNQOIL-UHFFFAOYSA-N 388.468 -0.546 30 10 GBEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 506724036 JIWJSNFFPKPRKT-INIZCTEOSA-N 388.490 -0.319 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCOC[C@@H]2C2CCC2)CC1 520812888 IEFCVMSUTGFRRW-MRXNPFEDSA-N 378.473 -0.540 30 10 GBEE COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 563423024 KITUJROGEWEMIH-NSHDSACASA-N 387.439 -0.328 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 588125385 AAZNZZHJKWHMPB-MRXNPFEDSA-N 384.440 -0.203 30 10 GBEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 599389874 ADLLPXXMZANUNC-HNNXBMFYSA-N 385.424 -0.690 30 10 GBEE CC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601524131 SWBIPZPOMDJASG-UHFFFAOYSA-N 377.489 -0.242 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC2(CCCOC2)C1 848958453 OOCRQEXPVICQRV-UHFFFAOYSA-N 389.499 -0.393 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H](C)CC1(C)OCCO1)[C@H]1CCS(=O)(=O)C1 1117464476 VCVOZJNQPYTSFU-KGLIPLIRSA-N 386.470 -0.459 30 10 GBEE CN1CCC(C#N)(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1136630320 NNEJWJRAQRUPGS-AWEZNQCLSA-N 375.404 -0.096 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)s1 1136656762 QXCDCIUUDKFRGT-LLVKDONJSA-N 398.470 -0.132 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC(C(N)=O)=NO2)s1 1154480370 GAYCFSCDYMCCCP-VIFPVBQESA-N 386.455 -0.499 30 10 GBEE C#CCN(C(=O)NCc1cccc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1254130177 KGAPFYFAWSDRLE-CYBMUJFWSA-N 385.467 -0.334 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CCN1C1CC1 1261916497 VENOZMDQQZKXSH-ZWKOTPCHSA-N 389.500 -0.055 30 10 GBEE C#CCOc1ccc(Cn2nnnc2N2CCO[C@H](CS(C)(=O)=O)C2)cc1 1262448241 CGIPEVDPVZLIMK-INIZCTEOSA-N 391.453 -0.017 30 10 GBEE C#CCN(c1nnc([C@]2(C(C)C)CNC(=O)C2)n1C)[C@@H]1CCS(=O)(=O)C1 1262905436 SMUBMULPVYAOTC-DYVFJYSZSA-N 379.486 -0.145 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc2ncccn2n1 1282731175 SGRKJBNNBSHIHY-KFWWJZLASA-N 382.424 -0.045 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 1323469667 NTHBZJTUXSKUQO-HNNXBMFYSA-N 393.421 -0.098 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCC[C@@H](OCCO)C2)CC1 1325048311 OSJBQWKUUANJAP-MRXNPFEDSA-N 387.440 -0.398 30 10 GBEE C=CCn1c(N2CCN(CC(=O)N3CCOCC3)CC2)nnc1C1(O)CCC1 1340280107 HZPDNGZZYOGGFH-UHFFFAOYSA-N 390.488 -0.184 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(C(=O)COC)CC1 1343763568 MOHMZEXYGLGHOR-CABCVRRESA-N 378.477 -0.113 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 1344323958 NBDGRFXCFGGPBL-JJXSEGSLSA-N 391.472 -0.036 30 10 GBEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCc2ccc(OC(F)F)cc2)c1=O 1473059117 JOKMDWBASLPLQZ-UHFFFAOYSA-N 394.334 -0.208 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]23COCCN2C(=O)OC3)c1 1557996474 LJLFCJCFKWCQRF-KRWDZBQOSA-N 393.421 -0.451 30 10 GBEE CSc1nc(O)c(C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1C#N 1595388840 HOMHHCBSHGAISZ-INIZCTEOSA-N 378.410 -0.262 30 10 GBEE CN1CCN(c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccn2)CC1 1635697889 QMYYKSISFJZQKS-YJBOKZPZSA-N 389.481 -0.156 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(C)nn3c2)CC1 1671344316 UAJKSRRGMQNFML-UHFFFAOYSA-N 377.430 -0.345 30 10 GBEE C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1740625740 HWOGLOMPECHDTC-ZIAGYGMSSA-N 398.510 -0.007 30 10 GBEE CC(C)C[C@@H](F)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC#N)C2)CC1=O 1856842469 QJFUERQUFAWWNR-UONOGXRCSA-N 388.465 -0.031 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCN(C)C(=O)C3)C2=O)CC1=O 1857251838 QSXTUUUTMKPAPF-CABCVRRESA-N 376.457 -0.297 30 10 GBEE COc1cccc(C(=O)/C=C/C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 1866391946 HMHVVTWWUKQYGO-RFMXEPQUSA-N 397.405 -0.495 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)c1cccnc1C#N 2233962211 BWUWXFWCJJQWJJ-MBNYWOFBSA-N 398.441 -0.427 30 10 GBEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267360205 SHYQRDAWKGMJKP-ITSYKEIMSA-N 392.312 -0.840 30 10 GBEE CN1CCC[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282327721 MLJIOCKDFXUUNO-LLVKDONJSA-N 385.299 -0.513 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](CN)C(F)(F)F 2282337690 IZEKHKOMZOVFSU-VIFPVBQESA-N 398.216 -0.113 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@@H](O)[C@H]2C1 2282344337 VRIMBMCEKGHNDS-SDDRHHMPSA-N 383.279 -0.279 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNC[C@H]3CO)cc2)OC1(C)C 2282353194 FTFKCIDAFDFHGZ-AWEZNQCLSA-N 382.291 -0.059 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H](O)C1CC1 2282421858 UEPVSTPBTLXRCD-LLVKDONJSA-N 386.283 -0.446 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2[C@H](O)C[C@H]21 2282839585 GGBKHWCVTCPVDZ-HBNTYKKESA-N 384.267 -0.742 30 10 GBEE C[C@H](F)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284398211 VPKIOROWGCBVKM-WCBMZHEXSA-N 391.230 -0.191 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H]3CN[C@H]2C3)n1 2359281876 NBKHJDJCOBUPKH-KGYLQXTDSA-N 382.295 -0.252 30 10 GBEE CC/N=C(/NCCC(=O)N1CCN(C)CC1)N1CCC[C@]2(CNC(=O)C2)C1 261759118 MTZPFNNMHZULGM-IBGZPJMESA-N 378.521 -0.282 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 781522580 AVZYLVJOAQUJJV-AWEZNQCLSA-N 388.511 -0.161 30 10 GBEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)NC1CCN(CC#N)CC1)C2 805062043 XHJITLWAQOZDHY-SCLBCKFNSA-N 378.429 -0.871 30 10 GBEE C=C1[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 900945901 KJLYHSJQZNMWLW-RHMWETHNSA-N 386.452 -0.452 30 10 GBEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)nc1 1118284374 DTAXWGLQCMLMGE-LKLRLBKWSA-N 387.465 -0.230 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 1118868864 SPEUNSRBVMPZMG-OAHLLOKOSA-N 396.455 -0.126 30 10 GBEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(S(=O)(=O)CC)CC1 1121610498 SNKAPTDJEYTWBI-ZIAGYGMSSA-N 384.506 -0.327 30 10 GBEE COc1ccc(CCS(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1213161471 COMWGFFNEOTJCV-UHFFFAOYSA-N 378.410 -0.009 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1289198801 XWVHUWWYDGSPBX-RYPNDVFKSA-N 394.472 -0.494 30 10 GBEE CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1299250690 GABVLPISFISSFN-ZDUSSCGKSA-N 398.489 -0.317 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1300535608 KMSIZNVPJNJHOM-MAUKXSAKSA-N 392.481 -0.206 30 10 GBEE C#CC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1308135928 JNEKPHOCBBPQFO-UHFFFAOYSA-N 391.493 -0.184 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCn3ccnc3C2)n1 1323642418 TWDJBYUAPZXRTM-HNNXBMFYSA-N 384.440 -0.181 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C)C3)CC2)c1C#N 1327339407 CMLGNCSEPUYHSZ-KUHUBIRLSA-N 386.456 -0.256 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1C1CC1 1331014570 QGCSNFWNIXNCSU-VXGBXAGGSA-N 387.362 -0.535 30 10 GBEE CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 1332411239 PIMQDUHEISUYGP-OAHLLOKOSA-N 390.465 -0.095 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1507652082 DHHGYICRBVXSEB-CQSZACIVSA-N 398.510 -0.312 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 1522270531 UGOAPRZYADWUHE-SYQHCUMBSA-N 376.413 -0.833 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@]12COCCN1C(=O)COC2 1565223908 ZAHJHSOFWUHBOK-VQIMIIECSA-N 388.424 -0.139 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1574258576 WEZJBUOQMRTMBT-NDBYEHHHSA-N 376.417 -0.784 30 10 GBEE C#CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)OC 1629617001 DHJNWYHZVJTEIE-RYUDHWBXSA-N 390.458 -0.005 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(=O)n(CCOC)c2)CC1 1658805900 JJAIZMBXIPRKRK-UHFFFAOYSA-N 397.457 -0.888 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CC(N)=O)cc2)CC1 1682864639 GIDVRHFDQNMPNC-UHFFFAOYSA-N 393.469 -0.991 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1 1690675037 OCYGGYZKVJWSRW-ZDUSSCGKSA-N 389.460 -0.596 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCO[C@@H]1C 1722384090 SXQLCKFSNOPQBS-RKVPGOIHSA-N 392.481 -0.207 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1=O 1857153615 PUTPEPOUUZBIQT-GJZGRUSLSA-N 386.412 -0.988 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CNC[C@H]2O)OC1(C)C 2267722745 YKBBVZBGWIIEJF-CMPLNLGQSA-N 388.320 -0.094 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(C)(CO)C1 2282309272 CHJRWEVYXYJXDL-UHFFFAOYSA-N 386.283 -0.446 30 10 GBEE C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331224 KXVMOSHRDNTPRP-NEPJUHHUSA-N 384.311 -0.052 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCNC1=O 2282339707 WLLCZGGKVCRXAC-JTQLQIEISA-N 384.267 -0.866 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H]3CNCC[C@@H]3O)c2)OC1(C)C 2282339958 ZNLRXVZSQVGGPQ-CABCVRRESA-N 382.291 -0.013 30 10 GBEE Cc1c(C(=O)NC[C@H]2CCS2(=O)=O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282551832 GJDRDNIOOXENMN-LLVKDONJSA-N 383.279 -0.055 30 10 GBEE C[C@H]1CS(=O)(=O)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282693180 JZESESBUBQTFKV-JTQLQIEISA-N 384.267 -0.627 30 10 GBEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1 2282850935 VFNQNPPLMCOOMM-VXGBXAGGSA-N 384.311 -0.004 30 10 GBEE CC(C)[C@@H](O)CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282862969 LAVFGTITLUMSTF-NSHDSACASA-N 388.299 -0.248 30 10 GBEE CO[C@@H](CO)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2295300696 BZOBGPJNNVJWEW-LLVKDONJSA-N 389.283 -0.687 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CO 2359266079 BMCVWZOILHZRNL-FOGDFJRCSA-N 384.263 -0.711 30 10 GBEE CC(=O)OC[C@H]1O[C@@](F)(C#N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 39931888 KECVBZMPOOTOSB-MRLBHPIUSA-N 375.305 -0.067 30 10 GBEE CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1 349500579 SPYIPQHRUPDCPX-OLZOCXBDSA-N 379.504 -0.273 30 10 GBEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409655218 ZAHHPIXBDODUBR-ZIAGYGMSSA-N 377.449 -0.604 30 10 GBEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 410155437 TZMPYVMQDPVGFJ-INIZCTEOSA-N 399.517 -0.668 30 10 GBEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(C[C@@H]2CCCO2)c1=O 533120243 MMXWSFJBJVANAZ-ZDUSSCGKSA-N 387.465 -0.446 30 10 GBEE CN(C)S(=O)(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 597038038 CBSOUINBBNLVFW-ZDUSSCGKSA-N 397.482 -0.206 30 10 GBEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cn1 735069453 VQRPGNHCHMMTOR-UHFFFAOYSA-N 387.465 -0.270 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 800053648 JAWHRBAVFTXPTP-CABCVRRESA-N 384.502 -0.125 30 10 GBEE C#Cc1cc(F)c(NC(=O)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)c(F)c1 802556810 GSEDMARXOSEAPF-CYBMUJFWSA-N 392.362 -0.262 30 10 GBEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCOCC1 852648103 GVRBMOCOTMGCTK-KRWDZBQOSA-N 378.473 -0.399 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cc(C(N)=O)ccc1F)[C@@H]1CCS(=O)(=O)C1 1116722600 PDEAPEAAHPFUQZ-LLVKDONJSA-N 381.385 -0.488 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1117987574 APCBEGDWGJFJTK-RBSFLKMASA-N 395.456 -0.012 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 1117993728 FUFBFFSWWRXDDY-KRWDZBQOSA-N 385.468 -0.300 30 10 GBEE C=CCn1cc(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1280561573 ZRWWZFCHNHWNNC-WALBABNVSA-N 387.440 -0.419 30 10 GBEE Cn1c(=O)[nH]c(N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(C#N)c1=O 1307232468 DYJBWNIYGHNHQE-AMIZOPFISA-N 392.359 -0.109 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1326694066 QSXCCKWZTPBDCI-AWEZNQCLSA-N 396.469 -0.506 30 10 GBEE C[C@]1(C(F)F)CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1330467422 NPYCBHQONKHRGM-YUQCYMQKSA-N 386.355 -0.488 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCO[C@H](C(F)F)C2)n1 1335853629 QXRYTMDNTMMRFX-AWEZNQCLSA-N 384.383 -0.016 30 10 GBEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cnn(CCC#N)c1C 1350190173 AVFNFKKTSRKKLO-ZDUSSCGKSA-N 381.458 -0.129 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2c(c1)OCCNC2)[C@H]1CCS(=O)(=O)C1 1351533935 KBVIOTLWKJZOPD-HNNXBMFYSA-N 391.449 -0.244 30 10 GBEE C=CCn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1356176056 GNQHCZDCZPVKIP-KBPBESRZSA-N 389.460 -0.155 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)C1=O 1436725135 AOQHTGBBHZKRDN-CYBMUJFWSA-N 376.413 -0.033 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 1471450501 BORBMWOOIGTIQK-OAHLLOKOSA-N 394.453 -0.525 30 10 GBEE O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@H]1CCN(O)C1=O 1556749268 BMLWCVZDLLNMTE-NSHDSACASA-N 389.455 -0.582 30 10 GBEE CN(CC#CCN1C(=O)c2ccccc2C1=O)Cc1nnc2n1CCNC2=O 1648296858 ZDZLCJXPLWSWNC-UHFFFAOYSA-N 378.392 -0.247 30 10 GBEE CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCN1CC(=O)NCC#N 1691488531 WAQSRACJUVVRPD-BARDWOONSA-N 379.461 -0.592 30 10 GBEE C#CCNC(=O)CC(=O)N1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1702883277 CZGHHRJAVZJERT-BKEDOTJMSA-N 377.441 -0.573 30 10 GBEE C#CCOCCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2CC)[C@H]2CS(=O)(=O)C[C@H]21 1719799622 MPFSGPNUXURABT-FPCVCCKLSA-N 382.482 -0.091 30 10 GBEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2nnn(C)n2)CC1 1722439122 PJPZQZMGYIGYNE-UHFFFAOYSA-N 378.444 -0.409 30 10 GBEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1749022177 GOIKBIYAKQHTRW-CHWSQXEVSA-N 398.514 -0.017 30 10 GBEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2=O)C1 1854290050 GBOIUTYVGNUBLN-RDJZCZTQSA-N 386.408 -0.051 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714396 URCMLPGBGGACOP-VLEAKVRGSA-N 392.474 -0.005 30 10 GBEE CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)[C@@H](C#N)C1 2124687808 JPLOPWFWDOIONR-BLLLJJGKSA-N 386.474 -0.265 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NC1CCN(CC#N)CC1 2184060552 YSUCCUNLMUHPIO-KKUMJFAQSA-N 382.461 -0.178 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCC[S@](C)=O)n1 2267709745 HLFBVXPTAKLHOM-DEOSSOPVSA-N 391.324 -0.234 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@H](CS(N)(=O)=O)C2)OC1(C)C 2282059540 JUVHGZSTPIOUAT-JTQLQIEISA-N 384.267 -0.541 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC12CC(CN1)C2 2282350614 PMGJXWDNZNTBTH-UHFFFAOYSA-N 382.295 -0.250 30 10 GBEE COC1(CO)CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282492310 QQVFVVGSQMNMMZ-UHFFFAOYSA-N 387.267 -0.899 30 10 GBEE CN1CC[C@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282839679 HMQGNWBFZJRPSL-GFCCVEGCSA-N 384.311 -0.051 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NC(C(=O)O)C(=O)O)c2)OC1(C)C 2284393955 RNZQVVRLRBQLOI-UHFFFAOYSA-N 385.203 -0.198 30 10 GBEE COC[C@@]1(C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284690657 CIGMMFNDTDNGRR-MEBBXXQBSA-N 386.283 -0.182 30 10 GBEE CC/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCS(=O)(=O)C(C)(C)C1 262000290 UCOBMQXKQLHXPK-ZDUSSCGKSA-N 394.563 -0.258 30 10 GBEE Cn1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC2)c1=O 576278556 IROFQURYOMNMKG-UHFFFAOYSA-N 394.435 -0.189 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 581278515 ROSOQIALCJCDDW-OAHLLOKOSA-N 377.489 -0.801 30 10 GBEE COC(=O)C[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CC1 599100830 IDSMBKRARIXUFQ-LLVKDONJSA-N 375.385 -0.024 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1 1120328350 MTHCHAVOQAYOLG-UHFFFAOYSA-N 390.528 -0.151 30 10 GBEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](C#N)CO)n2C 1261744511 IVJIGTUMFLBTMP-LLVKDONJSA-N 379.442 -0.243 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCCS(N)(=O)=O)C[C@H]21 1281633537 WVRLXTBBZJLKJL-YJNKXOJESA-N 385.486 -0.295 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286470583 ALGHWXCUCKXWFW-DNVCBOLYSA-N 390.488 -0.289 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286770993 QQILEDNXTRJVNS-NEPJUHHUSA-N 383.478 -0.370 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1328791613 JAUCYQFPBFFBOZ-AWEZNQCLSA-N 390.440 -0.392 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1 1329294257 MQHMZBMNCJOOPY-FZKQIMNGSA-N 376.413 -0.611 30 10 GBEE C=C(C)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1341740095 RMRBKPYDMQUQQI-RHSMWYFYSA-N 398.533 -0.153 30 10 GBEE C=CCOC[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)OC 1467516131 PJSZDVJXZIXTEA-QWHCGFSZSA-N 399.444 -0.076 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCC 1588646073 GQEJWOJXOAUEHM-CQSZACIVSA-N 397.501 -0.208 30 10 GBEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@H](CCN2Cc2csnn2)N1C 1614388703 KFYJDTKWLPLSCF-IJEWVQPXSA-N 376.486 -0.559 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 1652162044 GQBRTQORWPQBPX-UHFFFAOYSA-N 381.414 -0.456 30 10 GBEE N#Cc1cn(CCNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c(=O)nc1O 1685384457 GKQWNJGXMUZNDY-GJZGRUSLSA-N 390.444 -0.237 30 10 GBEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1705834323 IOGVQAZDSXTNAF-VXGBXAGGSA-N 391.519 -0.055 30 10 GBEE C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1726750555 AQOUYXSPVQZVCN-RBSFLKMASA-N 389.460 -0.321 30 10 GBEE C#CCNC(=O)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1990656823 AITZTGZRYQAECG-CYBMUJFWSA-N 382.394 -0.470 30 10 GBEE COC(=O)C1CN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 2108037670 NYSVPVXXPKZKRT-GFCCVEGCSA-N 388.446 -0.219 30 10 GBEE CN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](C#N)C1 2124631056 IBBWKCKVEQYCQI-CHWSQXEVSA-N 388.490 -0.019 30 10 GBEE CNC(=O)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708190 FYCSEMYEMIXSPG-UHFFFAOYSA-N 389.308 -0.002 30 10 GBEE C[C@@H]1CNCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282310059 OQMUMVYNICBPMN-LLVKDONJSA-N 385.299 -0.656 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CONC3=O)cc2F)OC1(C)C 2282320869 OKSAHQOXGVBZRS-LBPRGKRZSA-N 386.210 -0.167 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@](F)(CO)C1 2282334133 XRIIVNASJAAZKM-HNNXBMFYSA-N 389.258 -0.186 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(=O)O)CNC3)cc2)OC1(C)C 2282339680 ZTNFUTWAOJFSSX-UHFFFAOYSA-N 382.247 -0.309 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C)(C(=O)O)C1 2284395971 AJRZJMPEVFSYNQ-UHFFFAOYSA-N 385.251 -0.186 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](CO)C(=O)O)ccc2F)OC1(C)C 2284410206 AEVIRJFWSWRNFV-GFCCVEGCSA-N 389.210 -0.151 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H](CO)C(=O)O)OC1(C)C 2284411249 HZGHGGTUFZQERA-CYBMUJFWSA-N 385.247 -0.149 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)N1CC[C@@H](C#N)C1 2333598221 AXWUAEMSTOOENA-LOWDOPEQSA-N 390.462 -0.993 30 10 GBEE CC#CCN(CC(=O)O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2337839405 RSUSRGYFDDXURT-GFCCVEGCSA-N 388.442 -0.043 30 10 GBEE CC(C)(C)OC(=O)N1CC(C(=O)N=c2nc[nH]cc2C#N)(S(C)(=O)=O)C1 2351764004 BJSBDCQRPWHUTH-UHFFFAOYSA-N 381.414 -0.257 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)O 2356107861 IBURHKITLKKFCZ-FVCCEPFGSA-N 385.417 -0.019 30 10 GBEE CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@]1(C#N)CCOC1 349452168 DBDYWHKEORKQSB-AWEZNQCLSA-N 377.488 -0.394 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](C3CCOCC3)C2)CC1 459879999 AMQKZNFFDAJGAG-QGZVFWFLSA-N 392.500 -0.292 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)n2)cc1 469644164 UZXFKILQQCWDCR-LJQANCHMSA-N 396.407 0.154 30 10 GBEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 595152282 MMIJNYAQLUGPFD-KXBFYZLASA-N 393.488 -0.566 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)CC1 656347930 YNZVEVBQPMDFJS-AEFFLSMTSA-N 392.500 -0.103 30 10 GBEE N#Cc1cc(CS(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cs1 913859066 IJGVFYKYLDPADK-UHFFFAOYSA-N 398.510 -0.074 30 10 GBEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 923198368 HFGPQRFQLBCWBK-UXLLHSPISA-N 385.534 -0.162 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1120514441 VZEYEFZFKZALBF-HOTGVXAUSA-N 399.513 -0.100 30 10 GBEE C#CCN(c1nnc([C@]2(O)CCOC2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1123432074 DQGQHLOLZUXUJC-YOEHRIQHSA-N 380.470 -0.077 30 10 GBEE C#CCN(C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1)[C@H]1CCS(=O)(=O)C1 1251451143 QGWCOTMFFNYIJR-STQMWFEESA-N 379.442 -0.407 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 1261357955 HQSCIWQYUXBYCL-HNNXBMFYSA-N 399.403 -0.440 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)nn1 1261448071 MXHWBUWWOUDIKF-CQSZACIVSA-N 386.460 -0.093 30 10 GBEE CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cnn(C)c2)C1 1264501241 LFFLSSXISCYCCD-TWMKSMIVSA-N 388.472 -0.241 30 10 GBEE C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1282873730 BLBHEKHQEDPGTE-JQOWZUPLSA-N 376.457 -0.140 30 10 GBEE C#CC[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OC 1299178441 GJIGXNAVDSSPQB-MRVPVSSYSA-N 396.201 -0.426 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 1323418699 CEHVVPHQUKKMKM-UVTIVQHFSA-N 389.456 -0.284 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCS(=O)(=O)C1 1333042148 VDBPMUWDLLPPRN-OAGGEKHMSA-N 381.498 -0.232 30 10 GBEE CCOC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CCO1 1334516281 CRNUSTLFKFXQCA-HNNXBMFYSA-N 375.381 -0.004 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1336612915 KRIMUWHKOQULOC-HNNXBMFYSA-N 385.486 -0.489 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(N)=O)C1 1341919020 XZILQNWDNBTDNN-VQHPVUNQSA-N 387.436 -0.337 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)[C@@H]1CCS(=O)(=O)C1 1343280231 LOFPXXPLEZZZTB-CQSZACIVSA-N 389.433 -0.440 30 10 GBEE CNS(=O)(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(C#N)[nH]1 1490780427 AHPJLMALRMDYHO-BNOWGMLFSA-N 379.442 -0.313 30 10 GBEE C=CCNC(=O)NC(=O)[C@H](C)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1500932404 AZURWFMCOUCWMZ-DGAVXFQQSA-N 380.445 -0.883 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1539296064 KHNZBHUJXHUUOD-CYBMUJFWSA-N 390.473 -0.472 30 10 GBEE N#C[C@@]12CN(C(=O)NC[C@H]3CCCS(=O)(=O)C3)C[C@H]1CS(=O)(=O)C2 1564862591 XESGWXIHMPFMTK-DYEKYZERSA-N 375.472 -0.609 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1622257204 WVMYNHTZNGOFTE-UHFFFAOYSA-N 382.398 -0.644 30 10 GBEE CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1741118656 NYUFJAANMDIILU-AWEZNQCLSA-N 375.433 -0.345 30 10 GBEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1748800007 YJIPZUBJFRCGNT-QGZVFWFLSA-N 392.485 -0.241 30 10 GBEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C1=O 1855227405 ZFRARKJFJYJWHE-GJZGRUSLSA-N 383.470 -0.219 30 10 GBEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)CN3CCCS3(=O)=O)C1=O)CC2 1856550535 SLNFTPBVNIPUFB-KBPBESRZSA-N 380.470 -0.225 30 10 GBEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN(CCO)CCO 1870670568 CEBKZJDTAZLDPB-UHFFFAOYSA-N 398.456 -0.221 30 10 GBEE C#CCOCCOCCNC(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2189867441 NGUQIJVMDMCWAJ-QLFBSQMISA-N 386.445 -0.500 30 10 GBEE C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1 2282309364 DPSQPSFOGDZSAQ-GHMZBOCLSA-N 385.299 -0.467 30 10 GBEE C[C@H](O)CNCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354725 UWPPWVYFRJZKPV-LBPRGKRZSA-N 385.295 -0.371 30 10 GBEE CC1(C)OB(c2csc(C(=O)N3CCNC(=O)[C@@H]3C(N)=O)c2)OC1(C)C 2282598259 MYAUDTCHLVNQBP-NSHDSACASA-N 379.247 -0.527 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(C)(C)CC(N)=O 2282833083 FIJISNXWHARAKP-UHFFFAOYSA-N 387.271 -0.953 30 10 GBEE CN([C@@H]1CCCOC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282837281 SWWQTTRWEIADQZ-LLVKDONJSA-N 386.283 -0.086 30 10 GBEE CC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H]1C(=O)O 208049465 DGSJJBGWPPDILN-CYBMUJFWSA-N 376.222 -0.103 30 10 GBEE C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 286026948 KCALVJKSFCPVMY-CJNGLKHVSA-N 395.423 -0.034 30 10 GBEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 292270206 GUZRIMIROPDTQD-NVXWUHKLSA-N 380.489 -0.294 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 349572209 JXHWEHMRYMWJFU-STQMWFEESA-N 381.476 -0.971 30 10 GBEE CC1(C)CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@@H](CO)O1 422126689 XABJMTUTGDGUNC-HNNXBMFYSA-N 387.440 -0.400 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCOC3(CCCC3)C2)CC1 459885580 MKAPEOJQRZKGQW-UHFFFAOYSA-N 378.473 -0.396 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN4CCOC[C@@H]4C3)CC2)c1 459910000 SVXMNPMDRRDCEN-INIZCTEOSA-N 384.440 -0.855 30 10 GBEE CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 502238165 CMSBMQVLHBSJEC-HOTGVXAUSA-N 387.440 -0.088 30 10 GBEE C=CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 540812213 HNKYQHXLOUIDQI-OAHLLOKOSA-N 397.501 -0.230 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)Nc1cccc(C#N)c1 598638471 PJBWKDCNHBSMMA-KBPBESRZSA-N 385.380 -0.336 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 761035583 ATXCHKGNSXKGKT-CQSZACIVSA-N 397.453 -0.760 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1 773371122 RYVJEFKRIJSNNW-HNNXBMFYSA-N 381.454 -0.979 30 10 GBEE C#C[C@@H](CO)NC(=O)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C#C)CO 854771521 DJMFDMQCQGRARS-GJZGRUSLSA-N 396.403 -0.915 30 10 GBEE CN(C)CCN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1=O 1144757040 SGMXXQFVPLGUNB-UHFFFAOYSA-N 396.444 -0.031 30 10 GBEE COC(=O)[C@]1(N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)CCOC1 1328757415 XTFXHXNICXOPBY-INIZCTEOSA-N 380.426 -0.408 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1330507934 MEBKBFNQHAYEFY-BZUAXINKSA-N 382.482 -0.043 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359300063 SNDLOOYYXUESEO-SDDRHHMPSA-N 390.400 -0.355 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1541678917 MFERWCHAAMCTIM-AWEZNQCLSA-N 379.465 -0.277 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(O)(C(N)=O)C3)C2)C1 1641918829 LFRGJTDTUVWHEC-JKGQDXBKSA-N 378.429 -0.168 30 10 GBEE N#CC1(NC(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CCC1 1656984671 MCLNRMQDWVEQOD-UHFFFAOYSA-N 375.473 -0.015 30 10 GBEE C=CCOC[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OCC)C(=O)OC 1663618371 VXPCQHGXFIFSRC-SNVBAGLBSA-N 375.403 -0.083 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 1666581478 XSLVPQQSKQIENX-UHFFFAOYSA-N 394.453 -0.247 30 10 GBEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2=O)cc1 1681301597 QBQKQHYPMZXWGT-CQSZACIVSA-N 377.426 -0.264 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCC(=O)NCC)C[C@@H]1O 1683491297 AUYDFVBYVRCVJZ-KRXQYRFLSA-N 381.473 -0.038 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(N)=O)CC1 1719859375 DBMBBCQKOLSABG-QPSCCSFWSA-N 376.457 -0.029 30 10 GBEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1740964751 HRVWFKZUIDANLH-SFHVURJKSA-N 392.460 -0.489 30 10 GBEE C#CCN(C)C1CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1892788949 RVXRGGWGJFZCJL-AWEZNQCLSA-N 385.486 -0.204 30 10 GBEE CC1(C)OB(c2nc(=NS(=O)(=O)N3CCC[C@@H]3CO)s[nH]2)OC1(C)C 2110099931 HKZOTHIXFZBANL-SECBINFHSA-N 390.296 -0.627 30 10 GBEE CN(C)S(=O)(=O)NCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2158587964 GNQOPVGKQMYLAI-UHFFFAOYSA-N 385.255 -0.890 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CNCCNC2)OC1(C)C 2272024710 QEALMDPHVIJGAQ-UHFFFAOYSA-N 387.336 -0.113 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC([C@H]3NC(=O)NC3=O)C2)C1 2281275246 GHINKTBNWGSROQ-UNYNQTTQSA-N 376.413 -0.041 30 10 GBEE CO[C@H](CCO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282329613 OUHJKFAFHNANGR-LLVKDONJSA-N 389.283 -0.605 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@@H]3CS(=O)(=O)C[C@@H]23)n1 2282553212 PKYWEBJSBFEPJC-NXEZZACHSA-N 381.263 -0.508 30 10 GBEE CC(C)[C@@H](N)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868963 VOXZVQRDALEMED-NSHDSACASA-N 387.315 -0.234 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]1CC(=O)O 2284395417 KZHTYBBCYGZACH-SECBINFHSA-N 386.239 -0.648 30 10 GBEE CC[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284403878 VHRJTWDLQYADIM-SECBINFHSA-N 388.255 -0.497 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](O)C(=O)O)c(F)c2)OC1(C)C 2284405544 MDVBOBFOWMEWQJ-LLVKDONJSA-N 389.210 -0.151 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](O)[C@@H](O)[C@H]2C(=O)O)C1 2359249397 IUFNPEMTENGTBK-PBYMPPTCSA-N 382.413 -0.300 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CC3(C2)OC[C@@H](O)[C@H]3O)OC1(C)C 2362502125 ALXUUEBGPROLID-GHMZBOCLSA-N 382.247 -0.611 30 10 GBEE CC/N=C(/NC[C@@H]1CCC[C@H]1O)N1CCN(CC(=O)N2CCOCC2)CC1 262756779 BREZFXYODVFLBS-DLBZAZTESA-N 381.521 -0.411 30 10 GBEE CC1(C)[C@H](O)CCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349610799 KPQNLAQXXAKKCC-GFCCVEGCSA-N 379.504 -0.083 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C[C@@H](C)O)C(C)C)CC2)c1C#N 410510118 ONRFMMRCDLAJNA-CYBMUJFWSA-N 376.461 -0.133 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 475792252 DFPPPVVNPVRLMQ-UHFFFAOYSA-N 389.460 -0.387 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2cccc(O)c2)C1=O 497797313 YWMUADDBABHAEG-CYBMUJFWSA-N 375.337 -0.301 30 10 GBEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 602824287 HIRSPGQAXYIUSD-MRXNPFEDSA-N 390.440 -0.020 30 10 GBEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCOC)CC1 802528102 KVJKDGUPAMGQRX-OAHLLOKOSA-N 378.477 -0.147 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 849433862 MZGMSLPFKKPSJD-UHFFFAOYSA-N 395.503 -0.915 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C2CCC2)[C@H]2CCOC2)CC1 875723913 RNRLQPFOACEMFE-FUHWJXTLSA-N 392.500 -0.246 30 10 GBEE N#Cc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)[nH]c2ccccc12 1182502501 MGKCMSGDVUYGJZ-CVEARBPZSA-N 388.449 -0.045 30 10 GBEE C#CCN(C(=O)CCNC(N)=O)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1286050665 IZCWNKAKHFOMLN-OCABDXPQSA-N 388.468 -0.079 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccn(CC)c2=O)n1 1325845979 MPVQBEHTMPNUKY-UHFFFAOYSA-N 399.451 -0.011 30 10 GBEE C#CCN(C(=O)C(=O)NCC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1327118194 IDAGCVAATOPAOF-HNNXBMFYSA-N 397.497 -0.457 30 10 GBEE C=CCn1c(N2CCN(S(C)(=O)=O)[C@H](C)C2)nnc1[C@]1(C)C[C@H](O)CN1C 1339852350 FHZIVYLTQFZQCV-KEYYUXOJSA-N 398.533 -0.154 30 10 GBEE C=C(C)Cn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CCN([C@H]2CCOC2)CC1 1342511350 PWVPOTDFXFRBEU-UONOGXRCSA-N 389.460 -0.012 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@](O)(C(F)F)C3)CC2)c1 1348126867 SCKZYFLTPZEGHS-KRWDZBQOSA-N 379.367 -0.170 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)CC1 1460927154 ZFDZNPPFAXXQDX-YJBOKZPZSA-N 375.477 -0.591 30 10 GBEE C#CCNC(=O)CN(CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1479655229 UIXGNBSJFJEPQZ-PITCONLNSA-N 375.469 -0.556 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(=O)(=O)CC 1508084326 ADMKLOHRKNKFSM-GFCCVEGCSA-N 398.489 -0.598 30 10 GBEE CNS(=O)(=O)CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1565186826 WQHQKXDDIAGCSP-GFCCVEGCSA-N 381.462 -0.492 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(OC)c(F)c2N)CC1 1588199447 PCYONKUEJMOIQQ-UHFFFAOYSA-N 388.396 -0.219 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C[C@@H](O)CC1(C#N)CCOCC1 1659616332 VGWKQMPIRUAPHL-IHRRRGAJSA-N 394.428 -0.775 30 10 GBEE C#CCNC(=O)[C@H](C)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1674315097 FROCXMGDUPOPDJ-LUKYLMHMSA-N 377.485 -0.118 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)NCc2nnc3c(=O)[nH]ccn23)CC1 1676142147 COZHPKSKDYZPLF-UHFFFAOYSA-N 379.384 -0.284 30 10 GBEE C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]1CCCNCC(=O)NCC#N 1689131219 LNCCWTBWPWRIBC-LVQVYYBASA-N 393.488 -0.344 30 10 GBEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS(=O)CC1 1690723826 BUNSUDNHSRIXNT-CYBMUJFWSA-N 388.515 -0.049 30 10 GBEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705738133 MJKYRUYQSGLVMI-HNNXBMFYSA-N 388.472 -0.030 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1719867435 GBBBPHKRVSGKPZ-OVSNFEJUSA-N 378.429 -0.544 30 10 GBEE C#CCNC(=O)CC(=O)N(CC)[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1739265095 OOWGTGMJTZKUKY-LDDOYCOJSA-N 379.457 -0.469 30 10 GBEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(=O)NC)CCOCC1 1757732483 XEXPNYDNZQNNHA-ILXRZTDVSA-N 376.457 -0.016 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@@]1(C(=O)OC)CCSC1)c1cc[nH]n1 1772956093 WGRJGXMTUYCTDU-HNNXBMFYSA-N 384.414 -0.142 30 10 GBEE Cn1c(N2CCN(CC(=O)Nc3ccc(CC#N)cc3)CC2)cc(=O)n(C)c1=O 1851327122 QYYPKLAIZKALJA-UHFFFAOYSA-N 396.451 -0.089 30 10 GBEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)C[C@H]3CCOC3)C(=O)C2)C1 1856841881 DKUOQKNDDRRWGM-ZIAGYGMSSA-N 384.458 -0.989 30 10 GBEE C[C@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 2054406165 SDMBCNORIPUYPD-GRYCIOLGSA-N 393.487 -0.053 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNC[C@H]1O 2267703570 XYWGJPRKBWIJDI-WDEREUQCSA-N 388.320 -0.033 30 10 GBEE CC(=O)N1CC(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282295030 GSEREDDMHXWVGU-UHFFFAOYSA-N 381.263 -0.110 30 10 GBEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)S(N)(=O)=O 2282603091 BBZZVNOZLGIJEL-SNVBAGLBSA-N 386.283 -0.391 30 10 GBEE CN1CC(CN(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282851617 DXEKUDREVNGGTK-UHFFFAOYSA-N 384.311 -0.099 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(O)(C(=O)O)C3)cc2)OC1(C)C 2284393856 QHJRWDQVGLIEJH-UHFFFAOYSA-N 383.231 -0.194 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N[C@@H]2C(=O)NC[C@H]2C(=O)O)OC1(C)C 2284436471 DDYVPZJLNCOMRC-KCJUWKMLSA-N 380.231 -0.024 30 10 GBEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2288896537 VUGIXHRYAGLYBG-WDEREUQCSA-N 386.283 -0.352 30 10 GBEE Cn1nc(C(=O)N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2361652483 BOTBDIUNYVETEA-CMPLNLGQSA-N 381.263 -0.412 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCC[C@@H](O)CCO)c2)OC1(C)C 2379859973 PIVBLEOJSVSIGK-CYBMUJFWSA-N 386.279 -0.208 30 10 GBEE N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 44712104 VXXLYRKACIKPAY-UHFFFAOYSA-N 394.453 -0.342 30 10 GBEE CO[C@H]1C[C@H](/C(O)=N/C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)N(S(C)(=O)=O)C1 329899664 NDGCDKHFMDPFAR-RVMXOQNASA-N 377.463 -0.372 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 374970659 OQPCFPXKKZDOKS-HIFRSBDPSA-N 378.454 -0.232 30 10 GBEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508912085 KECYKQKXYFTKDI-AWEZNQCLSA-N 392.460 -0.275 30 10 GBEE CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C[C@H]1CN 593784020 DYUQHIXFCVTGIQ-OWCLPIDISA-N 387.440 -0.245 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 657959740 DMKDKDHBSYTCNI-HNNXBMFYSA-N 388.472 -0.438 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)N1CCC(C(=O)OC)CC1 850787854 CPNUGZSEOHQVSC-ZDUSSCGKSA-N 375.447 -0.297 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)CC1 1262530310 YUCSFFSSEBOGFB-GJZGRUSLSA-N 380.441 -0.258 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(C)c(C(=O)OC)c2)CC1 1311341322 QENFYUNWYZTCKU-UHFFFAOYSA-N 395.441 -0.206 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nccc(C(F)F)n2)CC1 1312797804 GTWSCNXMKKLBGC-UHFFFAOYSA-N 388.400 -0.291 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1325499473 WWYCKIOBZGWOHC-LIRRHRJNSA-N 384.392 -0.782 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)CC1 1331648930 PRKOSAYNIMBPHV-GJZGRUSLSA-N 382.424 -0.519 30 10 GBEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 1349520522 RJDSCTAVKAHEEH-CLCXKQKWSA-N 379.457 -0.019 30 10 GBEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358929899 KOGHLIPECXSTTK-ZIAGYGMSSA-N 392.485 -0.193 30 10 GBEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1443535279 XHDRIKNYUFQVIT-YXNALHSASA-N 378.429 -0.098 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2nc(C)c3cccnc32)CC1 1471451846 ZRWZBFHLZKMQJO-UHFFFAOYSA-N 376.442 -0.648 30 10 GBEE C=CCn1cc(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1488385359 JTTRLOGZPGVRTI-YAWIJTDMSA-N 375.429 -0.563 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1490601293 XZJOCNQRXWNVPA-OVSNFEJUSA-N 378.429 -0.497 30 10 GBEE 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396.322 -0.027 30 10 GBEE C[C@@H](C(O)=Nc1cn(C)c(=O)n(C)c1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329425549 IYMDJQYFYWSWRY-VSYPEIIYSA-N 376.369 -0.777 30 10 GBEE Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC(=O)N1C 330313525 XFMHWULDRNMNPH-IUODEOHRSA-N 385.428 -0.310 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@]2(CO)CCC)CC1 410992327 SPABMWRMWXMUAN-LJQANCHMSA-N 380.489 -0.414 30 10 GBEE C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 427319658 JITKMXSESCCPKL-UHFFFAOYSA-N 388.424 -0.176 30 10 GBEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CO)CN3CCOCC3)CC2)o1 550132556 OXGDCICEARKFMD-OAHLLOKOSA-N 377.445 -0.120 30 10 GBEE CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 589069337 DNOQJLOSJZLTAT-LSDHHAIUSA-N 384.440 -0.367 30 10 GBEE C#CCN(C(=O)CN(C)S(=O)(=O)c1cccnc1)[C@H]1CCS(=O)(=O)C1 729334096 IZHDCIZLECDACB-ZDUSSCGKSA-N 385.467 -0.649 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 846340606 QEITWKNSXFDOEJ-AWEZNQCLSA-N 396.407 -0.503 30 10 GBEE 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C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1 1331616114 WIRUWZCZFDTGAU-UKRRQHHQSA-N 379.438 -0.238 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1359291276 KRTOYKSUIRSHIN-LBPRGKRZSA-N 377.449 -0.580 30 10 GBEE COC(=O)[C@]1(O)CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1455195516 ZRXQQPUGCDICFN-GTNSWQLSSA-N 395.437 -0.360 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539256980 MZUHQODUZFDNIU-SFHVURJKSA-N 385.449 -0.038 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@H](c2cnn(C)c2)C1 1573205379 PPMUCBWLYMVGDA-BARDWOONSA-N 375.429 -0.703 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNS(C)(=O)=O 1587989584 KSGBTNXGBWNPJT-LBPRGKRZSA-N 389.503 -0.811 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCC2)CC1 1588742932 VZTWVEVYFLQKMD-AWEZNQCLSA-N 396.517 -0.442 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 1680399299 SESLBRQRNZCSDW-UHFFFAOYSA-N 395.367 -0.882 30 10 GBEE 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C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CS(C)(=O)=O)COC2)cc1 1640222408 ZNBIIPNBLRWQCI-UHFFFAOYSA-N 388.467 -0.306 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN=S(C)(C)=O)CC2)C1=O 1645056495 BWWJWHONIIMPSM-UHFFFAOYSA-N 384.458 -0.071 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(NC3CCOCC3)C2)cc1 1645439898 OGYOBHIUPUKBNG-UHFFFAOYSA-N 378.454 -0.184 30 10 GBEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1656388670 VMGUCSZOEXHPLM-HNNXBMFYSA-N 396.407 -0.002 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnn3ccccc23)CC1 1665750192 IPLCZJSKARBSIC-UHFFFAOYSA-N 383.455 -0.892 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1690019573 MKFFZTUKUQIUEI-HNNXBMFYSA-N 392.481 -0.206 30 10 GBEE C#CCN(c1nnc(C)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1722363876 HXXMVQMXNXNVHO-AWEZNQCLSA-N 381.458 -0.928 30 10 GBEE C#CCCCCCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1739594123 OVPPVFUGFCIXBP-QKPAOTATSA-N 379.457 -0.055 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccn(C)n1 1760195257 ZVIDNHZGGAWXEO-CQSZACIVSA-N 389.485 -0.063 30 10 GBEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1850051990 YMAFJVFYXVQMLL-GFCCVEGCSA-N 378.406 -0.068 30 10 GBEE C=C1CCCN([C@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CN3C(C)=O)C2=O)CC1 1854638369 NJNDZLZLRWNZIW-GJZGRUSLSA-N 383.470 -0.241 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1CCN(CCC#N)CC1 2184062449 UXFPPTBNNTWVEQ-KKUMJFAQSA-N 382.461 -0.225 30 10 GBEE COCC[S@](=O)CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281971795 JXAMWEGAYZLEKC-AREMUKBSSA-N 385.295 -0.156 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)OC1(C)C 2282209968 ZSBGMRDECSKDSS-XEZLXBQYSA-N 383.275 -0.120 30 10 GBEE CC(C)[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(N)=O 2282338855 QBLMSGBDXIVEBX-NSHDSACASA-N 386.283 -0.493 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]1(C)CCC[C@@H]1O 2282834209 QLNAKSRLEIXQNB-BONVTDFDSA-N 386.283 -0.304 30 10 GBEE CO[C@H]1CC[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282838778 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386.522 -0.115 30 10 GBEE NC(=O)C1CC2(C1)C[C@H](NC(=O)c1cccc(C#CCO)c1)CCS2(=O)=O 1158182333 MYOCMBNSMGDHKH-KOHRHEQBSA-N 390.461 -0.029 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3ccccn3)=NO2)CC1 1302924653 QIZYPBNAEBSIMI-HNNXBMFYSA-N 377.426 -0.814 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCn3cnnc3C2)c1 1326889148 XPWJDJSNWFJNCF-UHFFFAOYSA-N 382.427 -0.716 30 10 GBEE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCO1 1327392653 FFCGZVFHWIODMK-GUYCJALGSA-N 390.415 -0.046 30 10 GBEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1468853951 OGWOXBLAMRNCHK-GPPDRHIASA-N 383.426 -0.683 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 1475408285 YCJAONMGNQFULW-UHFFFAOYSA-N 392.437 -0.927 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1508080572 PTTYCHRACUIECR-ZDUSSCGKSA-N 384.444 0.000 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 1522135337 UEMNMOWNPRGKGY-MMMWYMCRSA-N 378.473 -0.664 30 10 GBEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)O)CC1 1539432147 YFGJNXMFVYJTOE-CYBMUJFWSA-N 384.506 -0.586 30 10 GBEE CC1=NNC(=O)[C@@H]1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1542940367 PZEYTINRIMIVJR-LLVKDONJSA-N 377.426 -0.257 30 10 GBEE Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543138710 XLHSMBHFYNGLOG-VCHHOEMESA-N 394.457 -0.264 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)OCC)c(C)n2)CC1 1636475600 OVTSOSJKUVOQRR-UHFFFAOYSA-N 394.453 -0.208 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc2nnnn2c1 1736565668 IBZCGMDAXPFNLB-MCIONIFRSA-N 381.396 -0.875 30 10 GBEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740694355 HOILSSVYIYPQAH-GOSISDBHSA-N 393.513 -0.150 30 10 GBEE CN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)[C@H](C#N)C1 2124687811 JPLOPWFWDOIONR-WBMJQRKESA-N 386.474 -0.265 30 10 GBEE N#CC1(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)CCOCC1 2174814955 OAJIDJXEGANXSI-UWVGGRQHSA-N 376.335 -0.312 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1[C@@H]2CCCO[C@H]21 2282326715 XBIQASITYBJRKQ-HBNTYKKESA-N 384.267 -0.430 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1n[nH]c(CN)n1 2282330947 HNKAJQPJHOMQHR-UHFFFAOYSA-N 383.243 -0.903 30 10 GBEE Cc1nn[nH]c1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282491712 ORXXEWAHNRFXSU-UHFFFAOYSA-N 382.255 -0.376 30 10 GBEE Cc1nc(S(=O)(=O)N2CCN[C@H]3C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843064 HKTAULTWMKZKQK-NWDGAFQWSA-N 382.295 -0.237 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1COCC[C@@H]1N 2282853171 ZEOFNGGIXKSOJJ-QWRGUYRKSA-N 386.283 -0.886 30 10 GBEE C=CCC1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CNC1 2282860093 VMRPBABUGCXINC-UHFFFAOYSA-N 382.295 -0.084 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1(O)CS(=O)(=O)C1 2283096075 VNQSRAHLBBDDPG-UHFFFAOYSA-N 384.263 -0.786 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](C(=O)O)C1CC1 2284411357 JEVUWXBSHFKNJJ-VIFPVBQESA-N 386.239 -0.744 30 10 GBEE C[C@H](C#CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)NC(=O)OC(C)(C)C 2341220534 UCXXCKGEOOPDER-OLZOCXBDSA-N 388.490 -0.065 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1cccnc1C#N 2358556250 BWUWXFWCJJQWJJ-SCRDCRAPSA-N 398.441 -0.427 30 10 GBEE C#CCNC(=O)CN[C@@]1(C(=O)O)CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2379442783 NBICPJJVCDYDIA-QZTJIDSGSA-N 381.429 -0.051 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)N(CCOC)[C@H](C)C2)c1=O 155311360 PAMDIGQTGJCEDY-IYBDPMFKSA-N 393.488 -0.458 30 10 GBEE Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 453700332 RAKJWFHGBZDOJD-UHFFFAOYSA-N 399.451 -0.192 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](CNC(=O)NC)C2)c1 529732933 DFEMFANAVINVBF-CQSZACIVSA-N 396.469 -0.079 30 10 GBEE Cn1ccnc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)c1=O 581749033 BYKBRVZNOCVLRF-UHFFFAOYSA-N 388.453 -0.357 30 10 GBEE CCS(=O)(=O)C1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 598775888 YKENUONCHBLOJJ-UHFFFAOYSA-N 385.467 -0.080 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 680516832 KYXOJMFLTAIGLN-LBTBCDHLSA-N 386.452 -0.760 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 783545301 PNVOUORSVLSKRS-UHFFFAOYSA-N 394.453 -0.475 30 10 GBEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1(n2cnnn2)CCOCC1 850734804 FUMMBKNKGORNNW-UHFFFAOYSA-N 376.398 -0.303 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC[C@H](Cn2ccnn2)C1)c1cc[nH]n1 855236838 IIEQLFHKPYLJKK-LBPRGKRZSA-N 375.389 -0.166 30 10 GBEE CC(C)(CC#N)CNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861737328 BAACBNMNFXOYPT-KGLIPLIRSA-N 377.445 -0.174 30 10 GBEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(C)CC1 886582414 TWNUAQFVKZKMEP-QGZVFWFLSA-N 376.501 -0.277 30 10 GBEE C#CCOCCNC(=O)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 1261653712 ULPPBXPWZHRUIS-OAHLLOKOSA-N 388.472 -0.709 30 10 GBEE C=C(C)[C@H]1OCC[C@@H]1Cn1nnnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1262427116 QMYSVKSPDBNHIO-QKGCVVFFSA-N 383.474 -0.098 30 10 GBEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNS(C)(=O)=O 1286437207 IOHPNNCBCCLRTR-INIZCTEOSA-N 385.490 -0.061 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301510120 UCZKPQDBTIRDAM-ZDUSSCGKSA-N 389.460 -0.630 30 10 GBEE CN1C(=O)CCc2cc(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)ccc21 1307371241 AFAKRNIHFYBRBT-UHFFFAOYSA-N 382.376 -0.334 30 10 GBEE COCCOCCN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1328832020 IDARPHFVVYCFES-ZCXUNETKSA-N 380.445 -0.290 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn3c(n2)C[C@H](OC)CC3)CC1 1330300766 SKQGPDCPKLOOHZ-CYBMUJFWSA-N 381.458 -0.930 30 10 GBEE C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1339068551 JLPIOPWWAQCYRY-BEFAXECRSA-N 391.520 -0.414 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cnc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1351580796 FBASGNAZELVVEK-GFCCVEGCSA-N 381.410 -0.314 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1507669793 ROGVUZABTGNIDR-YJBOKZPZSA-N 392.481 -0.206 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)COC)CC1 1508048729 NMXNMCMUAQLTGG-LBPRGKRZSA-N 386.478 -0.631 30 10 GBEE CS(=O)(=O)Nc1cccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1558643333 SQHXNLFHRHHDAO-XJKSGUPXSA-N 397.478 -0.003 30 10 GBEE C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)C1CCOCC1 1565629689 GBEQCMXIXSZYFM-QSJBWMMGSA-N 385.442 -0.389 30 10 GBEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cnn(CCC#N)c1C 1639515244 JEAVPCWKTRZUOW-AWEZNQCLSA-N 377.401 -0.375 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1686054688 DGZBGSWVNSTBCX-XGUBFFRZSA-N 375.429 -0.742 30 10 GBEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1690622295 MHYWDHKRARCSOA-KSSFIOAISA-N 378.477 -0.065 30 10 GBEE C=CCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cnn(C)c1 1736130864 HQKQKDVLRKCNCR-FXUDXRNXSA-N 389.456 -0.455 30 10 GBEE Cc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742845687 AKGSYLGRZYCNDW-VCHHOEMESA-N 387.400 -0.246 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(CCc3noc(COC)n3)CC2=O)CC1=O 1855290336 WDWXQVHLZHBBJK-ZDUSSCGKSA-N 391.428 -0.536 30 10 GBEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCN(C)CC3)ncnc21 1873561745 XCMBKJKQOAQKTF-UHFFFAOYSA-N 388.472 -0.204 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N[C@@H](CCS)C(=O)O)C1 2077115817 KSHYIMMHYXJZKW-VHSXEESVSA-N 396.487 -0.090 30 10 GBEE CCNS(=O)(=O)CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282066928 VXYGDGHSKTYGOJ-UHFFFAOYSA-N 386.283 -0.612 30 10 GBEE C[C@@H]1NCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]1C 2282317194 NMLAECDMTJNXSB-WDEREUQCSA-N 385.299 -0.515 30 10 GBEE CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)NC 2282328913 FHUCSHPPVUSFLN-JTQLQIEISA-N 386.283 -0.478 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1COC[C@H]1O 2282348315 JYPNQSLTTHNCQI-CMPLNLGQSA-N 387.267 -0.995 30 10 GBEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1cnn[nH]1 2282494868 DOXDZVMXMCTSMD-VIFPVBQESA-N 382.255 -0.123 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]12CNC[C@H]1C2 2282833571 IVHRJSYDYOCFTC-MEBBXXQBSA-N 383.283 -0.998 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCOC1 2282847467 ZIRCQEQIZHVWNL-QWRGUYRKSA-N 386.283 -0.182 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(F)(F)C(=O)O 2284411345 JBBXCSLKNKBYLV-UHFFFAOYSA-N 395.193 -0.283 30 10 GBEE CC1(C)O[C@@H]2[C@@H](n3cnc4c(O)ncnc43)O[C@@H](COS(C)(=O)=O)[C@H]2O1 105611080 BIHMALHFZFJBCY-DTITTZBUSA-N 386.386 -0.074 30 10 GBEE biogenic CC1(C)OB(c2cnc(S(=O)(=O)[C@H]3CCN(CCN)C3)nc2)OC1(C)C 204880270 VNJDOBWYDVQVBM-ZDUSSCGKSA-N 382.295 -0.418 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)C1=O 275563717 IZNYSCHLUWFDCG-VOJFVSQTSA-N 395.412 -0.174 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@H](O)C2)c1 517395326 GSJZMLIEVCGIGI-NWDGAFQWSA-N 389.455 -0.741 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2[C@H]2C[C@H](N)CCO2)C1=O 653263279 NYDUTCOUTHAIHR-MGPQQGTHSA-N 378.429 -0.149 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 677114812 PBUFOQUDQGDURH-CQSZACIVSA-N 387.506 -0.960 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC1CS(=O)(=O)C1 1116725169 SRYMRPLXBFXSGP-NSHDSACASA-N 385.467 -0.224 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1336612350 IXIQWNQBGCYTQP-AWEZNQCLSA-N 375.429 -0.126 30 10 GBEE N#Cc1ccc(N2CCN(c3nnnn3CCCN3CCOCC3)CC2)cn1 1351024295 GFSDNALWEYBGON-UHFFFAOYSA-N 383.460 -0.011 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N3CCCC3=O)CC2)C1=O 1436725137 AOQHTGBBHZKRDN-ZDUSSCGKSA-N 376.413 -0.033 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnnn1CC1CC1 1539148170 JBOWBRGBSKETQM-LLVKDONJSA-N 393.477 -0.598 30 10 GBEE C#CC[C@@H](NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)OC 1556970711 FUPKUXCHGNLIDV-ZIAGYGMSSA-N 385.376 -0.402 30 10 GBEE CO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1572962920 DXPUCQVRLYIKDA-ZHMBSYLPSA-N 383.470 -0.363 30 10 GBEE COC(=O)[C@@H]1CCCN(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 1585297674 WNADJAWOKMLIKJ-PHIZWAGYSA-N 378.385 -0.959 30 10 GBEE N#C[C@]12CN(C(=O)COCCNC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1616335431 BHMGUJTWGMGSHU-MAUKXSAKSA-N 391.449 -0.170 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)CC1 1635993772 SNPSDNMDHJCTFN-UHFFFAOYSA-N 397.439 -0.920 30 10 GBEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C[C@H](O)COc1ccccc1C#N 1655287285 ISSDIKBZJIOFCV-CABCVRRESA-N 382.438 -0.040 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1690660479 IHBWBZAFNDEHNJ-CQSZACIVSA-N 385.490 -0.081 30 10 GBEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(CCO)CC2)cc1=O 1870386904 IVRRMBXDEYDWCQ-UHFFFAOYSA-N 378.473 -0.341 30 10 GBEE CC[C@H](C#N)N1CCN(C(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CC1 2201046952 NHZPXQLISBWAMI-KBXIAJHMSA-N 382.461 -0.226 30 10 GBEE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281804180 ICRKATLWBDSIQM-NQBHXWOUSA-N 384.263 -0.365 30 10 GBEE CCS(=O)(=O)NCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282024531 CGIMWRVRZRDQQZ-UHFFFAOYSA-N 384.267 -0.555 30 10 GBEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCNC1 2282348773 PDVTVXLSJLENMJ-VXGBXAGGSA-N 384.311 -0.004 30 10 GBEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)c1cnn[nH]1 2282349505 ZNZVFKVMVNNFKQ-VIFPVBQESA-N 382.255 -0.123 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC3(CCO)CNC3)c2)OC1(C)C 2282829743 JOELRAGTRWIAMB-UHFFFAOYSA-N 383.279 -0.617 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CNC[C@H](F)C2)n1 2282831801 DZZXTEGBLWCFRN-GHMZBOCLSA-N 388.274 -0.302 30 10 GBEE CC(C)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2282834218 QPEOELGQBCETDA-SECBINFHSA-N 388.255 -0.498 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN[C@H]2C[C@@H]21 2282840947 QSNRQKQLTHTHGV-MXWKQRLJSA-N 383.283 -0.857 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCNCC12CC2 2282860458 AMNPSIIDOSSHGH-UHFFFAOYSA-N 383.283 -0.759 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](O)[C@@H](F)C1 2282868374 MKSHCHSFDMKLHH-UWVGGRQHSA-N 390.246 -0.792 30 10 GBEE CCCN(C[C@H](C)O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2288011141 SCBQSYJTQOGBJO-NSHDSACASA-N 388.299 -0.104 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)[C@@H](O)[C@H]2CO)s1 2359278562 CKWSMKYCQDQWLD-UPJWGTAASA-N 383.275 -0.106 30 10 GBEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NC(N)=O)o2)c1=O 106883785 IKIPOSUIHLPEFB-UHFFFAOYSA-N 380.386 -0.708 30 10 GBEE COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 288301693 WIXBSRUDSSBPDU-UHFFFAOYSA-N 388.472 -0.314 30 10 GBEE CN1CCO[C@H]2CCN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21 328998127 WVNSTJLJBPGNRN-HOTGVXAUSA-N 392.460 -0.308 30 10 GBEE Cn1c(=O)ccn(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1=O 523356645 HTABJLLRNAXMPY-CQSZACIVSA-N 399.432 -0.041 30 10 GBEE N#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 563098704 NKGUMQXBWVPQFN-UHFFFAOYSA-N 380.430 -0.320 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC[C@]2(O)CCOC2)n1 593688122 WHMHRWLBSNZWAF-SFHVURJKSA-N 387.371 0.479 30 10 GBEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)Nc1ccn(CCN3CCOCC3)n1)C2 594322975 PJRMAVVQQIEAJO-UHFFFAOYSA-N 394.435 0.568 30 10 GBEE C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 594630145 IXJZBPSIRJLNQB-NSHDSACASA-N 398.466 -0.170 30 10 GBEE CN(c1ccn(C)n1)S(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1 595964098 GVNMUNKNIZFORG-UHFFFAOYSA-N 375.476 -0.249 30 10 GBEE CN1CCOC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 600762502 YBJQXYGYUDEHGB-LBPRGKRZSA-N 388.471 -0.903 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN1C1CC1 732669747 PDKZGWIZLGRNKN-NSHDSACASA-N 375.410 -0.423 30 10 GBEE C#CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 733161289 MQPJPKOZPJSTBE-BRWVUGGUSA-N 395.525 -0.127 30 10 GBEE CN(C)CC#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 913518211 IKYIQIUPMDHMST-BZUAXINKSA-N 383.514 -0.223 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)n1 932399577 BUXNLKJJTDFPAM-PVAVHDDUSA-N 390.440 -0.589 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cnc2c(c1)c(C)nn2C)[C@@H]1CCS(=O)(=O)C1 1116703223 KYYDGVDJTZGABC-CYBMUJFWSA-N 389.437 -0.136 30 10 GBEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1286773262 MCBQUTMWPRKWHE-CYBMUJFWSA-N 385.490 -0.045 30 10 GBEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301080275 QUUTZAUJKODLKO-GUYCJALGSA-N 395.485 -0.065 30 10 GBEE Cn1c(=O)oc2ccc(CNC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc21 1329406962 OTOOBVXCZWQTJH-AWEZNQCLSA-N 383.408 -0.054 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1C1CC1 1331014568 QGCSNFWNIXNCSU-NWDGAFQWSA-N 387.362 -0.535 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1 1359301222 VDRSYWQZKGFJJG-CHWSQXEVSA-N 383.474 -0.293 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)nc3[nH]nc(C)c23)CC1 1455115276 MULUIVJDZONWFE-UHFFFAOYSA-N 376.442 -0.200 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1490790078 QHBNRWZNXSRCJE-ZUMXRPEOSA-N 377.445 -0.535 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)C1 1508139715 IYZOQPFAVXGLFG-UHFFFAOYSA-N 393.473 -0.442 30 10 GBEE CO[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@](C)(CO)C1 1560063643 ZQYGKGFDEMFUPW-KSSFIOAISA-N 377.445 -0.025 30 10 GBEE N#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1587541212 AFFPDQHKYXGFBW-UHFFFAOYSA-N 381.414 -0.069 30 10 GBEE C=CCOC[C@H](NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)OC 1635159128 TUHUANBIOPWWRN-JKSUJKDBSA-N 397.472 -0.440 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([S@](C)(=N)=O)CC2)c1 1637507055 QNRIVDLRSFSQSW-DEOSSOPVSA-N 384.483 -0.053 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 1644285744 YZNLNJIXTZLTMF-UHFFFAOYSA-N 388.453 -0.443 30 10 GBEE CC[C@@H](CN1CCOCC1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1687657837 DJMYYSQUWDEHHB-ZDUSSCGKSA-N 376.417 -0.502 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@H]1C 1722374381 YERRSSOAWHYZIW-GRDNDAEWSA-N 395.485 -0.499 30 10 GBEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740955742 DXQLWZZWEKGAFR-CQSZACIVSA-N 385.428 -0.407 30 10 GBEE 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10 GBEE CC[C@](C)(NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(N)=O 2282290045 MBJBXLUEZUYACF-AWEZNQCLSA-N 387.271 -0.953 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN(C=O)CC1 2282349843 DOUAOQBJPPKVEO-UHFFFAOYSA-N 384.267 -0.818 30 10 GBEE Cc1nc(C(=O)N2CCNC[C@H]2C(N)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282512217 GYIMJZKVTFIXAW-JTQLQIEISA-N 380.279 -0.350 30 10 GBEE Cn1c(=O)cc(O)n(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)c1=O 2282523920 FHNNOGKNCUIVKZ-UHFFFAOYSA-N 379.203 -0.303 30 10 GBEE CON1CC[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282836785 OYUURCYYMMMTIH-LLVKDONJSA-N 386.283 -0.367 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1COC(C)(C)C1 2282837801 XLDJAWHCMUZYAV-SNVBAGLBSA-N 386.283 -0.040 30 10 GBEE CNS(=O)(=O)c1ccc(C/N=C(/O)N2CCO[C@H](C(=O)OC)C2)s1 330567419 CTINDOIWCVFBQJ-JTQLQIEISA-N 377.444 -0.056 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCCCO1 349468978 PVMHIIKFPSDAFC-CYBMUJFWSA-N 381.476 -0.322 30 10 GBEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 565939297 JGYJQFDDGROXGD-ZDUSSCGKSA-N 398.489 -0.535 30 10 GBEE C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)NC(N)=O 594225902 FCRWPJYBOCOCME-GFCCVEGCSA-N 379.442 -0.162 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnn3)CC2)c1 600831545 HHOLTDVESCMIFT-UHFFFAOYSA-N 387.425 -0.630 30 10 GBEE C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 624845213 CZZAQNVDNCQJFT-UHFFFAOYSA-N 386.460 -0.165 30 10 GBEE C=CCn1c(Cc2ccccc2O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 669022049 FBFFLNVPYXRYIT-AWEZNQCLSA-N 382.424 -0.093 30 10 GBEE CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)c1cccc(C#N)c1 844368801 WHCFBUNVXZXCJE-CABCVRRESA-N 394.453 -0.464 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC2(C1)CC2(F)F 848958082 UESVQARYLZUMQH-UHFFFAOYSA-N 381.426 -0.164 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@H]3[C@H]4CC[C@@H](CN4)[C@H]3C2)n1 863767333 NMONJLILWFLWGJ-JCHJZTRSSA-N 399.495 -0.052 30 10 GBEE N#Cc1cn(CC(=O)NC2CN(C(=O)OCc3ccccc3)C2)c(=O)nc1O 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388.255 -0.497 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H](O)CCO)n1 2379862031 ZYHAVWRGQDSFFE-LLVKDONJSA-N 389.283 -0.869 30 10 GBEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 565921926 GYFDXQYKNPRTPW-CYBMUJFWSA-N 375.360 -0.511 30 10 GBEE C#CCN(CC(=O)N[C@H](C#C)[C@@H]1CCCO1)CC(=O)N[C@H](C#C)[C@@H]1CCCO1 822074761 ZVPRJXUOQVJPJF-YRXWBPOGSA-N 385.464 -0.484 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](n2ccnc2)C(F)(F)F)CC1 831579348 ALKXTPNSHFNGHP-GFCCVEGCSA-N 393.391 -0.012 30 10 GBEE C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@]23COCCN2C(=O)COC3)c(F)c1 874152062 BEOSIZKQGCVWTN-SFHVURJKSA-N 393.346 -0.371 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)CC1 1175515128 SIKZRXIOUOYUNQ-CQSZACIVSA-N 394.428 -0.137 30 10 GBEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1300674646 BJCULUNJCRKYPY-UHFFFAOYSA-N 383.474 -0.469 30 10 GBEE C#CCN(C(=O)c1cn(CC(OCC)OCC)nn1)[C@H]1CCS(=O)(=O)C1 1318530442 CWRIKYIRTFGVKS-ZDUSSCGKSA-N 384.458 -0.060 30 10 GBEE 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COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)OC 1619606680 AUYYVXSTQQUSGH-KBPBESRZSA-N 378.433 -0.209 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)cc1 1638405524 XOXWHAXXEFTBRU-OAHLLOKOSA-N 376.438 -0.335 30 10 GBEE COCc1cccc(CNC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c1 1653037265 UTOKTXDTQKLCQN-UHFFFAOYSA-N 386.408 -0.355 30 10 GBEE CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1697035456 WFSCCPNZQLNFPQ-CHWSQXEVSA-N 384.462 -0.550 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1760688086 AFGJZCKWIKTAPV-XQQFMLRXSA-N 386.478 -0.100 30 10 GBEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1772786045 NDEMOTZJIPJLDT-MNOVXSKESA-N 392.389 -0.224 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)CC1=O 1872918224 WAGSBLLBIJGCDJ-KRWDZBQOSA-N 392.500 -0.292 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CC(=O)NC)CC(=O)NC)C1 2281273251 UWNUVMPAAZEFQY-UHFFFAOYSA-N 380.445 -0.386 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CNC[C@@H]3S(C)(=O)=O)co2)OC1(C)C 2281818781 FAHBRLLDUZTOKW-NEPJUHHUSA-N 384.263 -0.306 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)C[C@@H]1C(N)=O 2281965816 LWQIJJOBIQZVRQ-NXEZZACHSA-N 381.263 -0.189 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CCOC[C@H]2[C@@H](O)CO)OC1(C)C 2282003561 CVBWXKFTYWZJCY-RYUDHWBXSA-N 384.263 -0.364 30 10 GBEE CC[C@@](C)(NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(N)=O 2282290046 MBJBXLUEZUYACF-CQSZACIVSA-N 387.271 -0.953 30 10 GBEE CN(C)CC1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282315076 JKUVQLSLLPCXTJ-UHFFFAOYSA-N 385.299 -0.704 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2C[C@@H]2C(=O)O)n1 2284411554 LWDLUWNWHOARSG-ZJUUUORDSA-N 385.251 -0.282 30 10 GBEE COC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2319398386 OGZUTJKYNGSDET-LRDDRELGSA-N 376.475 -0.204 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC3(CCOCC3)C2)CC1 349470168 XYARMYFAOPHTES-UHFFFAOYSA-N 377.488 -0.206 30 10 GBEE C[C@H]1C(=O)N(C)CN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349615428 LFEUMASGMMJOME-NSHDSACASA-N 378.476 -0.808 30 10 GBEE CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 364130236 SBZWXJMFWDXJNB-INIZCTEOSA-N 397.439 -0.007 30 10 GBEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 427396837 UHHKXYDAAILOQB-AWEZNQCLSA-N 397.439 -0.089 30 10 GBEE N#CCCn1ccc(NC(=O)C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)n1 427685854 BVFTXYFBBPKCBS-GLDJQXLISA-N 381.436 0.360 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)n1 593711379 OYRPLIXZPIAXPH-JIOXEZPLSA-N 387.396 0.553 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 598776962 QYJXEYCKKHMJRJ-MRXNPFEDSA-N 392.481 -0.106 30 10 GBEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 674476708 ILCHMNRAVWRYHG-OKILXGFUSA-N 397.453 -0.614 30 10 GBEE C#CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@H]1CCS(=O)(=O)C1 742573401 NCWSZLJLUWFWKB-YAYDYNKSSA-N 394.449 -0.812 30 10 GBEE C#CCn1ccc(CN(CCOC)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 789324602 QEANIKLTQLZSEL-UHFFFAOYSA-N 399.455 -0.588 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nnn(C4CC4)c3=O)CC2)cc1 808136221 GSWSEQCNSWRNCO-UHFFFAOYSA-N 389.441 -0.390 30 10 GBEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCF)c2)c(=O)n1CC(C)C 901787580 CEJROQTZBJWSDX-UHFFFAOYSA-N 377.445 -0.019 30 10 GBEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1121511157 ZWQYXFJBCVSRHZ-HZPDHXFCSA-N 391.520 -0.152 30 10 GBEE COC(=O)CCN(CC#N)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 1132668295 KFYFEFOCHVFTLV-UHFFFAOYSA-N 384.392 -0.026 30 10 GBEE Cn1nnnc1CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1159011014 CHZWOLIZDHJQLP-UHFFFAOYSA-N 391.457 -0.222 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1286793789 MEQSAZRWBDOBOO-ZFWWWQNUSA-N 397.501 -0.127 30 10 GBEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1298425207 IIZRGCWSDUUNSD-LPWJVIDDSA-N 387.458 -0.798 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(OCCOC)nc1)[C@@H]1CCS(=O)(=O)C1 1321624559 CUMMODRGRAPCQN-CQSZACIVSA-N 395.437 -0.306 30 10 GBEE C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC)[C@@H]1CCS(=O)(=O)C1 1324008897 VSKCSKCGHRYWCF-VXGBXAGGSA-N 389.503 -0.465 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]12 1329418745 YJMVEDJYMNQWAW-VEEXRKEGSA-N 383.426 -0.827 30 10 GBEE N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)CC1 1332105349 SSLYJDCMCHYHRJ-UKRRQHHQSA-N 386.383 -0.023 30 10 GBEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(O)C2=O)C1 1468373086 BGUQAOZAVOCGFU-RYUDHWBXSA-N 385.446 -0.466 30 10 GBEE C[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1CCN(C)CC1 1479601876 SXOZQVDISCHFOF-GFCCVEGCSA-N 375.433 -0.977 30 10 GBEE C#CCN1CCN(c2nnc([C@]3(C)C[C@H](O)CN3C)n2C[C@@H]2CCOC2)CC1 1516346585 JGNAQQCFSDMNKP-ZWOKBUDYSA-N 388.516 -0.019 30 10 GBEE C=CCn1c([C@@H]2SCCNC2=O)nnc1N1CCN(c2nncn2C)CC1 1520278528 KVJUHSLJGDZOJJ-LBPRGKRZSA-N 389.489 -0.177 30 10 GBEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539744025 BWUWNPJXGSVGFH-ZIAGYGMSSA-N 392.460 -0.227 30 10 GBEE C=C(C)COCCn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539759823 ZVDFTTBVENELIY-CQSZACIVSA-N 392.460 -0.446 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](O)(C(=O)OC)C2)s1 1558105114 PWXCUKWIGICRIB-OAHLLOKOSA-N 388.467 -0.109 30 10 GBEE CN(C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1572485255 ISKFHGVBRJSILQ-KNCOVGOOSA-N 376.413 -0.513 30 10 GBEE COCCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1585530684 WFKUFGYSOUXJJK-IUDBQGPFSA-N 385.442 -0.435 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)cc1 1637754682 YYOLMJBKKCCEPA-GXTWGEPZSA-N 399.494 -0.215 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(CSC)no2)CC1 1650849215 YIWRZXNHGBKMMX-UHFFFAOYSA-N 387.487 -0.523 30 10 GBEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cnc(C#N)c(C#N)n3)CC2)C[C@@H](C)O1 1654966713 SWERFMYQORFFKK-BETUJISGSA-N 391.457 -0.304 30 10 GBEE 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375.429 -0.154 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C1CCN(C)CC1 929303567 HXWJRAMESJRVBU-IBGZPJMESA-N 391.560 -0.069 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)cc1 1136149457 LCQXHDHFEHYHFI-CYBMUJFWSA-N 390.421 -0.556 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(NC)ncnc3c2)CC1 1152974538 VIKAUZANAMUJOR-UHFFFAOYSA-N 388.453 -0.103 30 10 GBEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H](C#N)CO)ccc2F)CC1 1261745106 YSWYQRLAJINWHM-ZDUSSCGKSA-N 398.416 -0.707 30 10 GBEE C=CCCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1282770658 LEQVJRGHTFKILB-JJXSEGSLSA-N 378.473 -0.353 30 10 GBEE N#CCn1cc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cn1 1329138205 IUHMPMZIWIOPDT-MRXNPFEDSA-N 383.412 -0.243 30 10 GBEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H](C#N)CO)c1 1329325283 IYORTTJWXQWQSV-LBPRGKRZSA-N 382.442 -0.612 30 10 GBEE C=C1[C@@H](C(=O)N2CCC(C(=O)NC)CC2)[C@H]1C(=O)N1CCC(C(=O)NC)CC1 1331899290 FSRCDKAJCNIXSU-IYBDPMFKSA-N 390.484 -0.242 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CCC[C@]4(C3)CC4(F)F)C2)c(=O)nc1O 1335059306 RBLQSBHHCSENBX-MRXNPFEDSA-N 393.350 -0.148 30 10 GBEE C#CCN(C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 1341714632 LOHKBFQXWAEGFP-STQMWFEESA-N 377.488 -0.900 30 10 GBEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@]3(CCS(=O)(=O)C3)C2)nc1 1345780722 HXQSEIKOXMQBRK-OAHLLOKOSA-N 385.467 -0.384 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)n2)cc1 1346221183 ZERHZSIRPUTUML-IVAFGUPBSA-N 384.421 -0.132 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1351640915 BJAICJWNWANSAU-AUUYWEPGSA-N 395.456 -0.011 30 10 GBEE C=CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cnn(C)c1 1479506751 NMZVFJQCHVZFHA-VVLHAWIVSA-N 391.472 -0.460 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCOC 1523599930 VGONLPBMOCVKEV-DZGCQCFKSA-N 378.477 -0.067 30 10 GBEE N#Cc1cn(CC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(=O)nc1O 1569897814 FDKGKMWHBWRQSO-SECBINFHSA-N 387.318 -0.262 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@H]1C(N)=O 1702988502 XCGAFGBJPKNUNC-RGDJUOJXSA-N 391.472 -0.380 30 10 GBEE C=CCSCCn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705948818 FZECVSPMQFZQIY-ZDUSSCGKSA-N 394.501 -0.119 30 10 GBEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@@H](C)NS(C)(=O)=O 1749682056 NRSXLMWPPSDCMA-SNVBAGLBSA-N 382.450 -0.332 30 10 GBEE C=CCNC(=O)Cc1nonc1OCC(=O)N=c1nc2nc(C)cc(C)n2[nH]1 1872651379 RYBISPLGJVGAJH-UHFFFAOYSA-N 386.372 -0.592 30 10 GBEE Cc1nnc2n1C[C@@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2167740534 GOHNOQRLMBSXEF-VIFPVBQESA-N 376.251 -0.030 30 10 GBEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(S(=O)(=O)N3CC(C#N)C3)CCN2C1=O 2174782521 RCHUMOMFXXMHJZ-QWHCGFSZSA-N 399.473 -0.504 30 10 GBEE CC1(C)OB(c2ccc(N3CCN[C@@H]4CS(=O)(=O)C[C@H]43)nc2)OC1(C)C 2241086963 ILVZOHWMTUQWBL-ZIAGYGMSSA-N 379.291 -0.044 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](O)[C@@H](F)C1 2267375852 NEPKGELSGYSSBX-QWRGUYRKSA-N 375.231 -0.577 30 10 GBEE 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COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCN1CCNC(=O)C1 593569854 REAIZRPIPVJFNH-UHFFFAOYSA-N 380.426 -0.555 30 10 GBEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1=O 735072782 HXUQJRIWOIWYJI-RHSMWYFYSA-N 391.453 -0.094 30 10 GBEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnn(C)n2)cc1 807437347 INFRSUNICWUVNB-UHFFFAOYSA-N 392.441 -0.124 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 812089117 UQBFSJUBWADSTR-AWEZNQCLSA-N 381.458 -0.670 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 896578984 MAOSNBBEKSCUIO-NEPJUHHUSA-N 398.407 -0.109 30 10 GBEE CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCc3c(CC#N)cccc3C2)CCO1 1118842468 KYCPNQQGRRUBKA-INIZCTEOSA-N 399.451 -0.206 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)NCC3CC3)CCCC2)C1=O 1126640827 GSPGSPQOBZQPJG-UHFFFAOYSA-N 376.413 -0.082 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(C)(=O)=O)CC1 1286479624 HZUFBTYYPQGLBR-HNNXBMFYSA-N 396.517 -0.176 30 10 GBEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 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10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O 2282173342 HZULSMWMJJDPND-AAEUAGOBSA-N 384.263 -0.788 30 10 GBEE C[C@H]1COCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282313412 KVYWDQJYXTZSDF-LLVKDONJSA-N 386.283 -0.229 30 10 GBEE Cc1csc(C(=O)NC[C@@H]2NC[C@@H](O)[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282598294 NDMJFMZPACDUOZ-DMDPSCGWSA-N 382.291 -0.221 30 10 GBEE COC[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284414823 TXXKGLKCLKBDME-SNVBAGLBSA-N 389.239 -0.903 30 10 GBEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342053253 HOQYPIAQNQWNMB-RDBSUJKOSA-N 388.486 -0.109 30 10 GBEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)(S(C)(=O)=O)C1 2379884056 VNCAELDWZYYWHX-STQMWFEESA-N 398.485 -0.171 30 10 GBEE O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1c[nH]c(=O)[nH]c1=O 34914160 CKNDNEWIWMMWLX-UHFFFAOYSA-N 377.382 -0.214 30 10 GBEE CCCNC(=O)CN1CCC(/N=C(/O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 330805885 LCEPBNOKPDWQML-CQSZACIVSA-N 389.522 -0.486 30 10 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C=C1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OC 908349385 RYFWTTSJAVBATJ-MMVNIZLXSA-N 388.420 -0.457 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1117132907 ZNBSCDCVQUWNGM-CVEARBPZSA-N 383.514 -0.128 30 10 GBEE C=C(Cl)Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301019842 ZPWRHTCFSCQBQU-UHFFFAOYSA-N 382.852 -0.154 30 10 GBEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1301297245 ODKQWQZRTQHBDR-NSHDSACASA-N 377.492 -0.648 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1321531787 DJYNUGMPETWIAW-CQSZACIVSA-N 394.449 -0.031 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 1325191891 DONFPZOXSHPZAO-ZIAGYGMSSA-N 375.429 -0.246 30 10 GBEE C[C@]12COC[C@@]1(C)CN(C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 1330466888 LRCXREKEVPWBHL-APTSNVDJSA-N 376.413 -0.486 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)COCCO3)c1=O 1331057288 BOBHYWJMICFUPX-UHFFFAOYSA-N 378.429 -0.617 30 10 GBEE N#C[C@]12CN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C[C@H]1CS(=O)(=O)C2 1479065288 WJYNBAVAJBEWLY-RVSPLBMKSA-N 396.469 -0.654 30 10 GBEE CN(CCO)CCN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1585901426 WPEPSWRVRNSYFB-UHFFFAOYSA-N 382.486 -0.112 30 10 GBEE COC(=O)C1CCN(CCCNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1616192915 YHSLRNBADOMYPW-UHFFFAOYSA-N 391.428 -0.398 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1623968853 CKIKGQJXLYXEDB-OLZOCXBDSA-N 397.453 -0.673 30 10 GBEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CC(=O)NC(=O)NC)CC1 1671485740 YJKBDHLVSIMCLR-OCABDXPQSA-N 388.468 -0.208 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1680684809 IIMAJBURSXWMDG-GXTWGEPZSA-N 380.488 -0.377 30 10 GBEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1705524238 IBASQNAPROUTMS-ZDUSSCGKSA-N 382.490 -0.030 30 10 GBEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCNS(C)(=O)=O 1740558813 VETHYEXPJKFZPV-ZDUSSCGKSA-N 382.490 -0.202 30 10 GBEE 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@@H]1O 1281891415 BYMLSKXADUDEKK-FQLMCAECSA-N 388.486 -0.520 30 10 GBEE C#CCN(c1nnc(C2CC2)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286389996 UYAWTFQNWVUADV-GFCCVEGCSA-N 376.446 -0.646 30 10 GBEE C=CCNC(=O)NC(=O)CNCCN(CC)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1320801202 CKJOTUYLQPRFRR-OFQRWUPVSA-N 382.461 -0.512 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1345012700 LBVWGCRGSMHWDY-DLBZAZTESA-N 384.436 -0.782 30 10 GBEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCC(C(=O)NCCO)CC1 1355897872 WWZINDPQHYKXQH-OAHLLOKOSA-N 378.477 -0.208 30 10 GBEE O=C(CNS(=O)(=O)c1ccc(Br)s1)N[C@H]1CCN(O)C1=O 1468374547 KGMDYIVITOXIEY-LURJTMIESA-N 398.260 -0.105 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507723653 PQMQBWBXZIZHBT-GJZGRUSLSA-N 399.499 -0.101 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C=O)c(OC)cc2OC)CC1 1588198969 CSGBTCAZJIJPBO-UHFFFAOYSA-N 395.437 -0.258 30 10 GBEE 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C#CCN(CC(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2)CC(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2 925065071 KPUQSDMZVJGCBQ-DYKIIFRCSA-N 389.496 -0.335 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)C1 1116559528 RQQXOQDOQMOERR-ZDUSSCGKSA-N 397.453 -0.365 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)C1=O 1128963041 IKWWXKSCWIDXBG-YPMHNXCESA-N 375.385 -0.267 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CC(=O)OC)c2cccnc2)C1=O 1135205089 LOJTZVRAGDRHEK-GOSISDBHSA-N 388.380 -0.047 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccccc2C(N)=O)CC1 1152973407 IOMGNXPBMOXBIN-UHFFFAOYSA-N 378.454 -0.670 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)N2CCS(=O)(=O)CC2)c1 1177902518 CPIAWVAHPPFADP-UHFFFAOYSA-N 385.467 -0.685 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)Cn1cncn1 1257552725 ORXKQDNWIZBTGH-OLZOCXBDSA-N 383.416 -0.818 30 10 GBEE O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCS(=O)(=O)CC1 1282723572 BPCLOIWNUUPYAF-OAGGEKHMSA-N 379.482 -0.622 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1 1301497200 RNWYSXKFXZNZNZ-UHFFFAOYSA-N 387.448 -0.558 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CS(C)(=O)=O)cc1 1304258756 ZRPZXWLDVLDUGU-LBPRGKRZSA-N 376.456 -0.714 30 10 GBEE N#Cc1ccc([C@@H]2CN(C(=O)NCCOCCS(N)(=O)=O)CCO2)cc1 1312832783 GFQCFVUJISYFJV-HNNXBMFYSA-N 382.442 -0.054 30 10 GBEE C#CCN(C(=O)C(=O)NCC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1322781564 ODJFCPVIUSABDR-DAOPMYJZSA-N 376.500 -0.701 30 10 GBEE C=C[C@@H](COC)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1327257599 DUUFOFMIAMCAHU-GJZGRUSLSA-N 380.489 -0.105 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc2c1CCNC2)[C@@H]1CCS(=O)(=O)C1 1333432182 SINAVPPESYPXBQ-MRXNPFEDSA-N 389.477 -0.403 30 10 GBEE C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1339856370 SBGAWCVJVSVMOH-KDOFPFPSSA-N 378.477 -0.329 30 10 GBEE C[C@@H](C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)n1cnc(C#N)n1 1344536312 YVNPHSZIBCMOHV-ZDUSSCGKSA-N 383.416 -0.644 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CCC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1348585755 RWSHFSCZSINTEJ-GJZGRUSLSA-N 382.482 -0.042 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1490661701 FQDDYKAAVHHZMK-RDBSUJKOSA-N 378.429 -0.279 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 1622498392 HVFXZDVKTMESKQ-UHFFFAOYSA-N 382.467 -0.527 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1633089502 VZLFNYLBYQMLJA-MPKXVKKWSA-N 385.467 -0.083 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](NC3CCOCC3)C2)C1=O 1633453904 UQCWRKNVZMNLDH-CQSZACIVSA-N 378.429 -0.277 30 10 GBEE CS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1750214390 DYHMEYNIJCVMKO-LBPRGKRZSA-N 379.446 -0.059 30 10 GBEE COC1CN(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2047616802 RRDUAADDQTYGAE-UHFFFAOYSA-N 376.269 -0.754 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cs2)OC1(C)C 2282195708 QEGSWBIACRGJKT-IMJCEVDSSA-N 383.275 -0.120 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CO[C@H]2C[C@@H]1C2 2282289370 XAMNFHMCSLOBTH-OUAUKWLOSA-N 384.267 -0.430 30 10 GBEE CC[C@H](N)CN(CC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282302963 PQESHQDVBQJDID-NSHDSACASA-N 387.315 -0.138 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](CCO)C1 2282317961 XKCZFGBGHARDFZ-NSHDSACASA-N 386.283 -0.493 30 10 GBEE Cn1[nH]c(CN)nc1=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333455 OXJJXXVCWSOQCO-UHFFFAOYSA-N 399.307 -0.143 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2CC[C@@]2(N)C1 2282352318 MXYCNNPGQLYEJX-BDJLRTHQSA-N 382.295 -0.169 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCO[C@@H](CO)C2)n1 2282489511 GXWNNMDYFFIJJR-LLVKDONJSA-N 387.267 -0.899 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282832214 LMSLJZQHMKLBTN-NWDGAFQWSA-N 384.311 -0.065 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]23CNC[C@@H]2C3)n1 2282836837 PTIVOPKCIBONBW-MEDUHNTESA-N 382.295 -0.393 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCC[C@@H](N)C1 2282840722 PGGIHPUNDRSTBG-MNOVXSKESA-N 385.299 -0.338 30 10 GBEE C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853842 JYDUIYLMEVLGQE-VXGBXAGGSA-N 384.311 -0.004 30 10 GBEE CON([C@@H]1CCNC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282860669 DYNJGATXKMRLRS-SNVBAGLBSA-N 387.271 -0.972 30 10 GBEE C[C@@H](CCC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284402710 KQOHTIUKHBYERX-VIFPVBQESA-N 388.255 -0.354 30 10 GBEE Cc1nc(S(=O)(=O)N[C@@H]2COC(=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2296244189 UTZOQZYBJICGNL-JTQLQIEISA-N 385.251 -0.378 30 10 GBEE C#CCCN(CC(=O)O)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336515726 BFSGTWJGHKADFJ-GFCCVEGCSA-N 388.442 -0.043 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 365674084 CFQFZUAWSYSMNT-NOLJZWGESA-N 376.438 -0.051 30 10 GBEE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccc(C#N)cc1F 481022714 LTTUDJJWGMGTBO-CQSZACIVSA-N 382.417 -0.146 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(Cl)cn2)CC1 492351840 NMQFTGPJLCVWMD-UHFFFAOYSA-N 379.848 -0.202 30 10 GBEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@@](O)(C(N)=O)C1 502905389 QHQTYIKSDHMNNJ-SFHVURJKSA-N 377.445 -0.126 30 10 GBEE CNC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 514614947 MJLSTNFKMXFQFK-NSHDSACASA-N 386.455 -0.755 30 10 GBEE Cc1cc(NC(=O)C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)ncc1C#N 600020412 GZYVWGJZMPMYQZ-LJQANCHMSA-N 387.440 -0.068 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 605656212 RFAONTWDWWETKA-UHFFFAOYSA-N 380.470 -0.465 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 657700189 GXXADCFTFWMTJE-UHFFFAOYSA-N 399.451 -0.643 30 10 GBEE C#CCN(C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)[C@H]1CCS(=O)(=O)C1 729333968 DOHADOBRDLAVMR-ZFWWWQNUSA-N 388.449 -0.026 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 788520399 QSJGBUZNLBCWMT-UHFFFAOYSA-N 382.408 -0.198 30 10 GBEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1)[C@H]1CCCO1 848954898 PAPGTHMFXDITOR-LSDHHAIUSA-N 383.451 -0.052 30 10 GBEE C#CC1(F)CN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 891168675 GBYMLUGQTXYNGV-BETUJISGSA-N 391.403 -0.359 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN3CCOC[C@@]3(CO)C2)CC1 1198165108 NXKFDNGCETXWMX-HKUYNNGSSA-N 379.505 -0.942 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@]2(OC)CCOC2)n1 1261186438 GYPSLRZXDLVYDB-GOSISDBHSA-N 378.429 -0.587 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1CC(=O)N1CCOCC1 1286399718 MSGFZKOYHFCNEC-MRXNPFEDSA-N 389.456 -0.066 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1C 1290633706 KLINFPABDIQCAV-HOSILWTGSA-N 387.502 -0.035 30 10 GBEE C#CCN(c1nnc([C@H]2COCCN2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1342811269 VPTRXUOBTAEUCL-HUUCEWRRSA-N 397.501 -0.446 30 10 GBEE CC(C)C[C@@H]1COCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1346276074 HHQHWQRNPSWXSA-JFVSRZABSA-N 378.429 -0.098 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1354841153 DKAMUWRRDLAJTF-OAHLLOKOSA-N 399.513 -0.052 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)OCC)c(C)[nH]2)CC1 1632960523 ISTLXJFDKVZKLV-UHFFFAOYSA-N 382.442 -0.275 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(Cc3ccccn3)CC2)C1=O 1640293725 YAFFAZXARWYWDW-UHFFFAOYSA-N 386.408 -0.046 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749663777 QENBFWHMACGYRZ-ZDUSSCGKSA-N 397.443 -0.407 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncn(C)n2)CC1 1760262101 ZRAPRXFUMSBDEN-UHFFFAOYSA-N 383.460 -0.668 30 10 GBEE Cc1cc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)nn1C 1857151252 SYLVOINNEWBUGS-MRXNPFEDSA-N 394.439 -0.048 30 10 GBEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CSc1nnnn1C 1870287689 AWDMLGADULBJMD-UHFFFAOYSA-N 394.457 -0.009 30 10 GBEE CC(C)(C#CC(=O)N[C@H](C(=O)O)C1CS(=O)(=O)C1)NC(=O)OC(C)(C)C 2138034828 OEZZNEKUDPWLPJ-LBPRGKRZSA-N 388.442 -0.093 30 10 GBEE C#CC[C@H](CO)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244225153 BAUZDRVWVGTHQP-KGLIPLIRSA-N 384.410 -0.330 30 10 GBEE C#CC(CO)(CO)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2251750085 PTNGLJCRGLLTJL-INIZCTEOSA-N 398.412 -0.713 30 10 GBEE CC1(C)OB(c2cnc(C(=O)N[C@H]3[C@H]4CS(=O)(=O)C[C@H]43)nc2)OC1(C)C 2282017943 QNCQOJAZXCKJGB-ZSBIGDGJSA-N 379.247 -0.451 30 10 GBEE Cc1nc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)no1 2282312113 RCAIVYOTVIIONI-UHFFFAOYSA-N 384.227 -0.716 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H](O)CC1 2282319016 NQKGWYVEZGCQBS-NSHDSACASA-N 386.283 -0.350 30 10 GBEE C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1 2282838177 KFVUDDAAZSDCAQ-LLVKDONJSA-N 385.299 -0.513 30 10 GBEE COC(=O)C[C@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282865806 ZABWSYQCAOIYDK-JTQLQIEISA-N 387.267 -0.051 30 10 GBEE CN1C[C@@H](C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)N(C(=O)OC(C)(C)C)CC1=O 2368828841 WUAUVOFTFAIXHN-IHRRRGAJSA-N 377.445 -0.127 30 10 GBEE CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 268063170 ZNAXFWCUIMQKHX-UHFFFAOYSA-N 387.487 -0.656 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 425903550 YLRXAMSMUSTWEX-KBPBESRZSA-N 375.429 -0.159 30 10 GBEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471324910 XJJWTKAFVFVHHK-NUEKZKHPSA-N 393.465 -0.372 30 10 GBEE CC(C)Oc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)nn1 551497338 ZZFOECLHGCLQRO-UHFFFAOYSA-N 390.444 0.277 30 10 GBEE COc1cnccc1N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123641 DZURVYLRDJDACA-UHFFFAOYSA-N 386.456 -0.157 30 10 GBEE COC(=O)C12CC(CN1C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2 595135244 HXVJUVYZVUPBKW-UHFFFAOYSA-N 394.391 0.301 30 10 GBEE CN1CCN(C(C)(C)CNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 913997606 UJGVIUUTNOWZQU-RHSMWYFYSA-N 383.518 -0.408 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1118329488 ZTBGDTWDCPSMBA-WCVJEAGWSA-N 399.513 -0.751 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(S(C)(=O)=O)CC1 1122621474 RNMQKVKZMFNQRA-KGLIPLIRSA-N 384.506 -0.327 30 10 GBEE 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385.251 -0.749 30 10 GBEE C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838445 OOJXMHCQJZMHGU-DGCLKSJQSA-N 384.311 -0.004 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2COCC[C@@H]2N)n1 2282841195 MJYFTYZPLLAEOC-RYUDHWBXSA-N 386.283 -0.886 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)C(F)(F)C1 2282850197 LZQIQIXULHXLLD-SECBINFHSA-N 393.221 -0.280 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]12CCOC[C@H]1C2 2282864521 HDFFLLUDEGUWBK-MEBBXXQBSA-N 384.267 -0.428 30 10 GBEE COCCN(CCO)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867628 BKBRUMMQERZREX-UHFFFAOYSA-N 389.283 -0.651 30 10 GBEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(CO)CO 2282869507 DHWWIWDZNJAYQF-UHFFFAOYSA-N 387.263 -0.374 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)ns2)OC1(C)C 2284431562 LRNMZKVXLYMJHA-MRVPVSSYSA-N 383.235 -0.109 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 29153018 QWSLDWKZEVGLEW-UHFFFAOYSA-N 394.497 -0.052 30 10 GBEE 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COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCn1cnc(C#N)n1 510627945 JNEBMTQAZLLILE-AAXDQBDMSA-N 376.373 -0.716 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1 532723019 KCYXOXCRUUYMEJ-UHFFFAOYSA-N 394.453 -0.080 30 10 GBEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 596747320 GAHAWCPWTYRVBE-KGLIPLIRSA-N 379.442 -0.403 30 10 GBEE C#CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@@H]1CCS(=O)(=O)C1 742573394 NCWSZLJLUWFWKB-GLKFPVFTSA-N 394.449 -0.812 30 10 GBEE CNS(=O)(=O)CCCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 777043569 ZFBGKWPUTUNLGZ-UHFFFAOYSA-N 375.428 -0.792 30 10 GBEE C#CCN(CC(=O)N1C[C@H](C)C(O)[C@@H](C)C1)CC(=O)N1C[C@H](C)C(O)[C@@H](C)C1 824502094 CXMOGIHFCCQGNW-QAETUUGQSA-N 393.528 -0.128 30 10 GBEE C#C[C@@H](CO)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 854763212 JLVUUQPNMPVVDX-AWEZNQCLSA-N 382.438 -0.631 30 10 GBEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 861955146 AUSPWCIVSJBXIN-JTQLQIEISA-N 385.829 -0.422 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2OCCO[C@H]2C(F)(F)F)CC1 865177576 CZASKSGFSINXFG-UONOGXRCSA-N 377.363 -0.384 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)[C@H](CCC)C(=O)OCC)CC1 881772168 ZWUHCPLNBDTCKA-CQSZACIVSA-N 375.491 -0.032 30 10 GBEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(CCF)c2)c1=O 901816077 SNPATIXZQVYORA-UHFFFAOYSA-N 375.429 -0.123 30 10 GBEE CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1116031805 IEWYBLLUBLLHNR-GASGDFKYSA-N 384.458 -0.309 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CC1 1118042171 JPPGXFDJZHNTAZ-JKSUJKDBSA-N 396.451 -0.129 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1261193271 PDJQWFBFJBEQOD-JKSUJKDBSA-N 381.498 -0.232 30 10 GBEE N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1327172478 WVDIODNJSRUYQL-QGZVFWFLSA-N 377.422 -0.296 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 1327987366 LXJBQHBWEJDVGX-JJJPLKNQSA-N 376.413 -0.608 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(N(CCOC)CCOC)CC1 1331310372 FWQLCWUOOMMCPF-INIZCTEOSA-N 381.473 -0.567 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1333443261 UTUYRVAILSRQAB-ZDUSSCGKSA-N 379.417 -0.063 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC(C)(C)C(F)(F)F)CC1 1334312027 RGJGQGDYFDVNEJ-UHFFFAOYSA-N 395.411 -0.149 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CC1 1335077947 LYZGVFDFWDYTKC-UHFFFAOYSA-N 385.468 -0.460 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(C)(C)C)C1=O 1460067150 PIBFRGUDLSMZFS-LLVKDONJSA-N 385.442 -0.365 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1531181346 NQEVQWBBCIBMPD-UHFFFAOYSA-N 382.442 -0.066 30 10 GBEE C#CCN(c1nnc(C)n1Cc1cn(C2COC2)nn1)[C@@H]1CCS(=O)(=O)C1 1539206028 LVIDXYXJLJOGMM-CQSZACIVSA-N 391.457 -0.576 30 10 GBEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC)CC1 1588742349 QNRSIPCWLZJCHS-CQSZACIVSA-N 384.506 -0.320 30 10 GBEE N#CC1(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CCOCC1 1629341209 XYINLKKBNVBTIO-CQSZACIVSA-N 376.388 -0.083 30 10 GBEE O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn2nccc2c1=O 1686156811 LHCMFVAXNCPHIG-KFWWJZLASA-N 380.408 -0.448 30 10 GBEE C[C@H](NS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1702898531 CUTUTQQVTJVPMY-TWJQMWNJSA-N 379.442 -0.314 30 10 GBEE C=CCCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1702936971 UPCINCBRPZCWKN-KBXIAJHMSA-N 377.445 -0.189 30 10 GBEE CC(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1741116575 NEUXXPTXIPXONP-KBPBESRZSA-N 396.473 -0.565 30 10 GBEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(C(=O)N(C)C)CC3)C2=O)CC1=O 1854110523 NKDIOPSTLAWSRK-HZPDHXFCSA-N 390.484 -0.051 30 10 GBEE N#CCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)CC1=O 1856035726 UWRBEURVNJWNPY-LLVKDONJSA-N 396.391 -0.073 30 10 GBEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)N2CCC[C@H](C#N)C2)(C(N)=O)C1 2118171917 XYKCWSUSBZYMCB-LLVKDONJSA-N 387.462 -0.469 30 10 GBEE C#CC[C@@H](CO)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249440158 UPQATSNYLBUWIM-LSDHHAIUSA-N 398.437 -0.242 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NOCC(F)(F)F 2267719720 FIIPDAKBCQIOAL-UHFFFAOYSA-N 386.161 -0.114 30 10 GBEE CC#CCN1CCN(C(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CC1 2279136713 HEHGWBVBDSSDQV-PMPSAXMXSA-N 381.473 -0.115 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](CS(N)(=O)=O)C3)[nH]n2)OC1(C)C 2281984904 GNYZIFLWWRYCNE-SNVBAGLBSA-N 384.267 -0.541 30 10 GBEE CN(CCN(C)S(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281991977 IAJQTEIVSVZOJP-UHFFFAOYSA-N 386.283 -0.328 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1[C@H]2CCOC[C@@H]21 2282321993 DVCGUWJDPVIEKN-GARJFASQSA-N 384.267 -0.573 30 10 GBEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(S(N)(=O)=O)C2)n1 2282551232 BTMCPVQGALSLFZ-UHFFFAOYSA-N 381.263 -0.198 30 10 GBEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)S(C)(=O)=O 2282616287 ZJKSIQXLDWAHND-VHSXEESVSA-N 386.283 -0.334 30 10 GBEE Cn1cc(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)nn1 2282846770 OGSITVZCTGCAAT-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC2(C1)C[C@@H]2N 2282853038 XVHGPAMNZNGAQE-CSJGVYOVSA-N 382.295 -0.123 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](CCO)C(=O)O)c2)OC1(C)C 2284412680 WZAUGKVQKILPGJ-LBPRGKRZSA-N 386.235 -0.505 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCCOCC(=O)O)c2)OC1(C)C 2284418224 VQTKTAPRGLKMKQ-UHFFFAOYSA-N 386.235 -0.240 30 10 GBEE C=CCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O 140481997 PRSVMSRDBOXABR-JJTUDDRGSA-N 387.385 -0.155 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCO)[C@@H](C)C1 428144018 YBNPFJIICBLYMZ-KBPBESRZSA-N 380.470 -0.250 30 10 GBEE C[C@@H](CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)[S@@](C)=O 565314968 YPMFHOIDZPVYGB-KPWVOAKYSA-N 393.512 -0.076 30 10 GBEE CN(C)S(=O)(=O)N1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2C#N)C1 804856390 LAABPFNRBAAPRN-GFCCVEGCSA-N 387.487 -0.112 30 10 GBEE C#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 839198165 UYRLQPNMUCJIPD-SFHVURJKSA-N 391.493 -0.005 30 10 GBEE CN1CCN(CCNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1(C)C 922348474 UTHOTGNZAPKZNS-RHSMWYFYSA-N 383.518 -0.408 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC[C@H](CN2CCOC2=O)C1)c1cc[nH]n1 1117816721 HTEMGJIQFLNZJV-LBPRGKRZSA-N 393.400 -0.006 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1 1118919588 KSJAIZBRCSLDHR-DWPSXPHVSA-N 387.440 -0.915 30 10 GBEE N#Cc1cn(C2CN(C(=O)c3cccnc3N3CCOCC3)C2)c(=O)nc1O 1118973976 XISJAYKKOGETAN-UHFFFAOYSA-N 382.380 -0.251 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1 1120427773 VRODCTXZJUKWIU-UHFFFAOYSA-N 376.457 -0.277 30 10 GBEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1121511155 ZWQYXFJBCVSRHZ-CVEARBPZSA-N 391.520 -0.152 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(N(C)C)COc3ccccc3C2)CC1 1123735298 UYHLSKYFBYZCJR-NRFANRHFSA-N 384.480 -0.185 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 1322314090 BANYOQBACOIBCY-CQSZACIVSA-N 377.445 -0.309 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 1327316584 NAVBCJLOMYFYBK-HZPDHXFCSA-N 399.513 -0.892 30 10 GBEE C=CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1334666804 WAOCCJXHTRDVDM-YHUYYLMFSA-N 382.457 -0.291 30 10 GBEE CC[C@@]1(CO)CCCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1335060198 XKMVETPQARBKSR-GOSISDBHSA-N 389.412 -0.785 30 10 GBEE C#CCN(C(=O)C(=O)NCc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1343136020 AOEKJOVFAXJNQS-CYBMUJFWSA-N 394.497 -0.190 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(O)n3CC)CC1 1455114312 CEOMYFWZBDHIMV-UHFFFAOYSA-N 391.453 -0.013 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)C1=O 1627071320 SBVQELRLLNZRMQ-GFCCVEGCSA-N 395.412 -0.172 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(N)=O)CC2)s1 1631171783 PSGVMAUHGIBKRS-UHFFFAOYSA-N 386.499 -0.616 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnccc2OCC)CC1 1656637982 PINSRPJDOKIWEL-UHFFFAOYSA-N 388.471 -0.746 30 10 GBEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 1702980797 RTCWIINJYNOKKK-OAGGEKHMSA-N 376.457 -0.952 30 10 GBEE CN(C)CC#CC1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1889883410 SBCLKVWWQJNUCX-UHFFFAOYSA-N 386.456 -0.763 30 10 GBEE C#CCN1CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 2139344781 BYORNJOWKLXUNY-ZIAGYGMSSA-N 385.486 -0.252 30 10 GBEE COC(=O)[C@@H](CS(=O)(=O)NCC#CCO)NC(=O)OCc1ccccc1 2244226055 PNFZMWMUOHAHJO-CQSZACIVSA-N 384.410 -0.631 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CNC[C@H]3S(C)(=O)=O)co2)OC1(C)C 2281818784 FAHBRLLDUZTOKW-VXGBXAGGSA-N 384.263 -0.306 30 10 GBEE C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282304425 KKAGTOKYVTWXRE-QWRGUYRKSA-N 386.283 -0.182 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCS(=O)(=O)C(F)F)n1 2282649451 ZUFFAFDMRQVOFH-UHFFFAOYSA-N 394.209 -0.519 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@@H](O)[C@H]1C2 2282850423 OTXLFSFEXRWAHY-RAIGVLPGSA-N 383.279 -0.137 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1[C@@H]2COC[C@@H]12 2282860071 VFQVHMKQWFHXAV-RYUDHWBXSA-N 383.279 -0.110 30 10 GBEE CON1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282860269 XWXCJYNSOPFDOD-LLVKDONJSA-N 386.283 -0.367 30 10 GBEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@H]1NC[C@@H](O)[C@H]1O 2359266654 MLIHNMLHWDMJIR-UPJWGTAASA-N 382.291 -0.221 30 10 GBEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CCS1(=O)=O 2362350714 VKFXNMCIWBWAPF-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12)c1ccco1 13552107 OUSLHGWWWMRAIG-OGAOBHAHSA-N 381.366 -0.639 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](F)C1 349500910 HODRHPGXQZLYAK-CHWSQXEVSA-N 383.467 -0.306 30 10 GBEE CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410800654 IRALYBFKKHQONT-GFCCVEGCSA-N 385.346 -0.017 30 10 GBEE N#CCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 566440567 LWNPKWXNAZCIMM-UHFFFAOYSA-N 375.410 -0.579 30 10 GBEE CC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 576528319 GBKWMQTUJUQAAV-LBPRGKRZSA-N 386.455 -0.612 30 10 GBEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 599412655 MUCFHGDDODBYFR-CYBMUJFWSA-N 394.461 -0.601 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)O1 600041195 QVVQRUQVORGVIT-RISCZKNCSA-N 398.379 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 749666810 LTMRUMDIDOBWIX-UHFFFAOYSA-N 398.427 -0.953 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc2c1oc(=O)n2C)[C@H]1CCS(=O)(=O)C1 1116703788 NYIGAFSAJQBMIE-NSHDSACASA-N 391.405 -0.281 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286270844 OVGFBOIKKPTFSF-DYVFJYSZSA-N 395.485 -0.478 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1301967231 BNFZWLGNVAJHLS-XJKCOSOUSA-N 383.474 -0.073 30 10 GBEE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1318851824 FIUYTJZRBHBNRH-VVLLMFOMSA-N 384.458 -0.167 30 10 GBEE C#CCN(C(=O)C(=O)NCCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1325066250 HBAJPQMUVAPNFD-AWEZNQCLSA-N 386.470 -0.663 30 10 GBEE C=CCOCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1328532370 PICKQTSIIWBSEY-UHFFFAOYSA-N 378.404 -0.108 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1330507935 MEBKBFNQHAYEFY-HRCADAONSA-N 382.482 -0.043 30 10 GBEE C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(C)CCC(=O)NC1 1340361753 PCEMGNIRLIPBFU-GOSISDBHSA-N 376.461 -0.073 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC)CC1 1359035727 CICLZNAFTUICNY-HNNXBMFYSA-N 381.502 -0.028 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1508071434 JDAZBWISDGNEFR-CYBMUJFWSA-N 391.476 -0.225 30 10 GBEE Cn1cc(-n2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc2=O)cn1 1611165742 TZDJSIYNQRCAKS-GUYCJALGSA-N 387.421 -0.419 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2cncn2)C(=O)OC)c1 1639510566 QDIJIWNBEDPYJE-CQSZACIVSA-N 391.409 -0.839 30 10 GBEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(S(N)(=O)=O)c1C 1639821684 JOQSFTACWZTTMP-XJKSGUPXSA-N 397.478 -0.039 30 10 GBEE N#Cc1cccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 1658358773 BLXQHYSDFSJFOC-OAHLLOKOSA-N 384.483 -0.412 30 10 GBEE C#CCN(c1nnc(CC)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705569958 IVAGOOFVUMHVSU-SUMWQHHRSA-N 379.486 -0.055 30 10 GBEE C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H]1CC 1736204776 WCEIDPPCAONUEU-XHWCBRGXSA-N 391.468 -0.327 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1757721374 GSCPMUDYOCNXHK-RFGFWPKPSA-N 376.413 -0.737 30 10 GBEE C=CCN(CC=C)c1nc(NC(=O)CNC(C)=O)n([C@H]2CCS(=O)(=O)C2)n1 1870004950 QWGJJNFNTWRYNX-ZDUSSCGKSA-N 396.473 -0.109 30 10 GBEE CC(C)(C)OC(=O)N1CCC[C@H](c2nc(=NC(=O)C(=O)NCC#N)[nH][nH]2)C1 2185279106 GRXXKQBMVJVWHT-JTQLQIEISA-N 377.405 -0.081 30 10 GBEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCS(=O)(=O)N3)ns2)OC1(C)C 2267146024 IIJLVVAEHPLWNC-SECBINFHSA-N 387.292 -0.136 30 10 GBEE CC1(C)OB(c2cc(C(=O)NCCCNS(N)(=O)=O)cs2)OC1(C)C 2267551417 LZGDDASKRKYSJT-UHFFFAOYSA-N 389.308 -0.040 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCOCCF)n1 2267709850 JACUXFIGTHYUMV-UHFFFAOYSA-N 377.247 -0.016 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N2CC[C@](O)(CO)[C@H](O)C2)OC1(C)C 2281796710 XMQSVNGSFMVCHK-DYVFJYSZSA-N 383.275 -0.023 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC4(C3)OC[C@H](O)[C@H]4O)ns2)OC1(C)C 2281992168 KOLDCQMYUKGYEA-CMPLNLGQSA-N 382.247 -0.611 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(CCNC2)C1 2282304740 ORUZXRIWGKEWHJ-UHFFFAOYSA-N 383.283 -0.902 30 10 GBEE C[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282323195 XDCBXLUSOKRHER-MNOVXSKESA-N 386.283 -0.182 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)ns2)OC1(C)C 2282602407 RKAPKFZRBGMLNC-RQSQLSILSA-N 384.263 -0.725 30 10 GBEE CCNS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282655034 AJPFZVPFFKOMOM-UHFFFAOYSA-N 385.295 -0.007 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC(CO)(CO)C2)OC1(C)C 2282826965 VPSRLFVTKXTDDR-UHFFFAOYSA-N 383.275 -0.039 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)CS2(=O)=O 2361523301 AGKKAHOLKDJHQG-ZYHUDNBSSA-N 381.263 -0.412 30 10 GBEE C/N=C(/NCCNS(=O)(=O)c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 262502796 YZKAWVLVEZYAHX-MRXNPFEDSA-N 395.529 -0.053 30 10 GBEE COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349459421 HNNSZQUVASSASM-STQMWFEESA-N 397.544 -0.302 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCOC1 349594425 SFIRHCMZLLGTPM-ZIAGYGMSSA-N 395.503 -0.581 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CN2CCOCC2)C1=O 363005169 VLAMNKWSCVVFHK-AWEZNQCLSA-N 378.429 -0.324 30 10 GBEE CNC(=O)CN1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 363153909 BQBVFPSDDPFTQH-UHFFFAOYSA-N 393.469 -0.995 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 560868321 XCCBDQPQQUZSEQ-UHFFFAOYSA-N 398.460 -0.450 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](COC(C)C)C2)CC1 565996303 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HPIAZSMUCNQPSH-UHFFFAOYSA-N 399.455 -0.558 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)CC1 1334281976 LIODEUVMVPXHMI-JSGCOSHPSA-N 383.470 -0.944 30 10 GBEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1539126514 WWNYWDKGACNHOA-CYBMUJFWSA-N 386.499 -0.172 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncnn1C 1574455699 HWUFCXVBDLVCFH-YJNKXOJESA-N 375.429 -0.382 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 1588812956 VFYDJDCFXYJGQE-HNNXBMFYSA-N 396.517 -0.524 30 10 GBEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1683601783 BCWJJDXHJMYESJ-UHFFFAOYSA-N 395.466 -0.297 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(N)=O)C1 1705901313 ILTFIQVOUJTCET-VXGBXAGGSA-N 375.433 -0.767 30 10 GBEE CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]nc1S(N)(=O)=O 1736542930 UAXIJAWZQZZKBZ-RTXFEEFZSA-N 379.442 -0.422 30 10 GBEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1740644462 HFFQBOCGMGDXMY-UHFFFAOYSA-N 392.485 -0.474 30 10 GBEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1757739607 ZCLOZNCKAOPQPX-WOPDTQHZSA-N 377.426 -0.546 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CCC)NC(N)=O 1757818523 XXUHIYRNDPYFFL-SYQHCUMBSA-N 377.445 -0.789 30 10 GBEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)C(=O)C2)C1 1854998111 NBQFAWFQJAYVAL-GJZGRUSLSA-N 386.456 -0.169 30 10 GBEE CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)C[C@H]1C#N 2124688372 PIOWZUKBLFBQOV-MLGOLLRUSA-N 386.474 -0.265 30 10 GBEE CN(C[C@@H](O)CN)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468795 MZSGCADMOCHICS-JTQLQIEISA-N 391.324 -0.477 30 10 GBEE CC1(C)OB(c2cc(C(=O)NCC3(O)CS(=O)(=O)C3)ns2)OC1(C)C 2267893087 KTNRKSMSJBNRRW-UHFFFAOYSA-N 388.276 -0.668 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)[nH]n2)OC1(C)C 2281981485 HPJIMRQUZRHEGM-JTQLQIEISA-N 384.267 -0.398 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2COC[C@H]21 2282308721 VKAHTGPLLUBFGZ-GMTAPVOTSA-N 384.267 -0.573 30 10 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C=CCN(C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H](C)COC 1330618197 SWFPECHUMFQBRK-HZSPNIEDSA-N 375.491 -0.130 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)C1 1332962701 JGXKYXFMDXBGNI-CVEARBPZSA-N 399.513 -0.243 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1332977607 ZQLLTSFLLGXWIP-INIZCTEOSA-N 394.516 -0.116 30 10 GBEE CN(CCc1cccc(C#N)c1)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1351817807 ZPGFSVTYZPSZOK-UHFFFAOYSA-N 397.479 -0.018 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCN(C)C 1358978814 VNABBEMNQMZIHD-INIZCTEOSA-N 393.513 -0.169 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1456731377 ONCGVFCHQZOXQV-YRTQGLMCSA-N 385.486 -0.215 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 1459885666 AQDOLTLDLKPCBI-UHFFFAOYSA-N 393.469 -0.801 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)COCC3)CC1 1476189755 HNSNCWKPJQWQBQ-UHFFFAOYSA-N 385.471 -0.167 30 10 GBEE 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COCC[S@@](=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282183571 IJXJWIKRLVKFDZ-SANMLTNESA-N 386.283 -0.761 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]2NCC[C@@H]21 2282860821 GVDHITFFUBUJPW-HBNTYKKESA-N 383.283 -0.857 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(CCCO)CC1 2282867766 DGQGASODOLOPRN-UHFFFAOYSA-N 386.283 -0.302 30 10 GBEE C[C@@H](F)[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411468 KQUOTPDMJKJWJA-PSASIEDQSA-N 391.230 -0.191 30 10 GBEE CO/N=C(\C(=O)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@@H]12)c1csc(N)n1 141489829 MCSWUKXFFGUOQE-HYPSZOGVSA-N 395.422 -0.713 30 10 GBEE in-vitro C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 279402471 GXJBCPZSKRDSRR-QGZVFWFLSA-N 392.437 -0.035 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCc2ccnc(O)c2C1 349450352 ADQJFWLGYYZESG-UHFFFAOYSA-N 388.471 -0.350 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCO1 594816745 KITQKYKLMRDZSS-IRXDYDNUSA-N 380.470 -0.188 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[C@@H](Cn4ccnn4)C3)CC2)n1 595164753 FTVLYCWWAIKEFT-OAHLLOKOSA-N 394.439 -0.258 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cn(CC3(CC)COC3)nn2)CC1 665757237 CRWVDMRDSYQFIH-UHFFFAOYSA-N 376.461 -0.235 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CCN4C)C3)CC2)c1C#N 867549643 RIFXSMVYWMPSSW-DOTOQJQBSA-N 399.499 -0.199 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCS(=O)(=O)C1 1119904109 NEJFHVVBBNSKEG-GRYCIOLGSA-N 396.387 -0.139 30 10 GBEE N#C[C@@]12CN(C(=O)Cn3nc(-c4ccccc4)oc3=O)C[C@H]1CS(=O)(=O)C2 1156670482 ULHMRXWYBGLWPN-GUYCJALGSA-N 388.405 -0.100 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CS(=O)(=O)CC)nn1 1292127994 XQLWEQUEFHACGN-BZPMIXESSA-N 381.458 -0.240 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(C3CCOCC3)n2)CC1 1311007385 GSUOTTVSADGERQ-UHFFFAOYSA-N 396.473 -0.148 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 1319242548 FINOIODPTHMREX-GFCCVEGCSA-N 399.498 -0.234 30 10 GBEE 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COc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1C#N 820058193 ODDZYAMUJDBQTG-UHFFFAOYSA-N 386.408 -0.290 30 10 GBEE C#CCN(C)CCCNC(=O)C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 890300627 UQRSSQROXROBMV-IYBDPMFKSA-N 386.456 -0.146 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1121602073 NDBSVPRLPOAVBZ-INIZCTEOSA-N 389.504 -0.132 30 10 GBEE C#CCN(C(=O)C(=O)NCCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1261163199 JOHKSSVKPKTSEV-CYBMUJFWSA-N 399.856 -0.121 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1c2ccccc2CN1C)[C@@H]1CCS(=O)(=O)C1 1261856562 HWIGLFNVHZIMHM-WBVHZDCISA-N 389.477 -0.062 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1286788240 SKALXNCTORJJJI-OLZOCXBDSA-N 394.457 -0.789 30 10 GBEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1321210164 STQQJQCHYKHAOF-FNOZUXQISA-N 384.458 -0.263 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](C)C1O 1327392231 WDXUXHKHSQHGFD-MGPQQGTHSA-N 386.456 -0.139 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@H]2CC[C@H](C#C)CC2)CC1 1335953331 HBKNWBVWBJUHGE-SHTZXODSSA-N 377.474 -0.373 30 10 GBEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358929897 KOGHLIPECXSTTK-KGLIPLIRSA-N 392.485 -0.193 30 10 GBEE C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1490764165 VLLXZMATSPWZOG-SYQHCUMBSA-N 375.433 -0.608 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)N2CCOCC2)CCO1 1505321567 CDIIFTYIMPITPN-ZIAGYGMSSA-N 376.417 -0.630 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNc2ccc(C)cn2)CC1 1681833217 CQWVWZDOQPHSLR-UHFFFAOYSA-N 394.501 -0.013 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COC[C@@H]1CCCO1 1702934877 YNZGQHVISOVBSB-UGUYLWEFSA-N 377.441 -0.430 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1705552106 VOIYLFUNQRUSRK-XJKSGUPXSA-N 385.490 -0.159 30 10 GBEE C#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1724659252 VCOXWRKKSSOAOM-YTGMWSOZSA-N 375.469 -0.147 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccncc2)C1 1735753217 WCGRBAIIEOJSID-FPCVCCKLSA-N 388.424 -0.910 30 10 GBEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1740625739 HWOGLOMPECHDTC-UONOGXRCSA-N 398.510 -0.007 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC 1748790866 NVMJZMWQDZBBMB-CYBMUJFWSA-N 398.489 -0.793 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CC(F)(F)F)C(=O)C2)C1 1856850068 KHPFWECHHZNLMP-JTQLQIEISA-N 382.364 -0.463 30 10 GBEE C#CCCN(C)C(=O)COc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2086861397 KWVJIWDZCKUQKF-HNNXBMFYSA-N 397.387 -0.052 30 10 GBEE C#C[C@@]1(O)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2249437065 GAVSFFYBNKNACD-RHSMWYFYSA-N 396.421 -0.234 30 10 GBEE C=C(CS(=O)(=O)N(C)CCNS(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2255953611 LMWRGXSIGKVRTL-UHFFFAOYSA-N 382.313 -0.015 30 10 GBEE C[C@H]1CS(=O)(=O)CCN1C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282064567 BOASHFKTMJEQLT-NSHDSACASA-N 383.279 -0.022 30 10 GBEE CN(C)C(=O)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282864731 KCMXATPFYMPERH-UHFFFAOYSA-N 386.283 -0.524 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H](C(=O)O)C2)n1 2284397943 RRIKHSUBBOGCKL-JTQLQIEISA-N 385.251 -0.186 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H](CO)C(=O)O)OC1(C)C 2284399233 HZGHGGTUFZQERA-ZDUSSCGKSA-N 385.247 -0.149 30 10 GBEE CNC(=O)CN1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 367622575 JBCLHPLXDKXUCY-QGZVFWFLSA-N 378.521 -0.568 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 466137243 JZAIYXZWHFPELS-SFHVURJKSA-N 394.564 -0.111 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 482850660 VCDKVTAPHDNPLQ-ZDUSSCGKSA-N 376.461 -0.788 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C(C)C)CC2)CC1 559389738 KYRCBSWCOWUUPP-UHFFFAOYSA-N 379.505 -0.578 30 10 GBEE C[C@H](CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1)S(N)(=O)=O 561605043 HKZPSLBPWQYMND-CYBMUJFWSA-N 393.469 -0.610 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CCN1Cc1ccccc1 599445783 UICUNPZMGXHSOA-IRXDYDNUSA-N 399.451 -0.674 30 10 GBEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291683 ZRYKZQNHGAAVDO-AWEZNQCLSA-N 392.437 -0.201 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)CC1 849492786 YLLRQHXCXSRLCQ-ROUUACIJSA-N 388.516 -0.098 30 10 GBEE C#CCN(CC(=O)NN1CCC[C@H](OC)C1)CC(=O)NN1CCC[C@H](OC)C1 928421686 NAESKEGMBVCXCM-IRXDYDNUSA-N 395.504 -0.794 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)C1CCN(C)CC1 930563086 CBNFCEBVORTVPT-OAHLLOKOSA-N 384.502 -0.917 30 10 GBEE C#CCOc1ccccc1CNC(=O)C(=O)N(CC#C)[C@@H]1CCS(=O)(=O)C1 1117292961 FXNVXJLNMOPXPG-MRXNPFEDSA-N 388.445 -0.036 30 10 GBEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(O)C2=O)C1=O 1159323291 AAASDWUTTPARGM-XIKOKIGWSA-N 390.396 -0.123 30 10 GBEE CNC(=O)[C@H](NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1176433300 UAQOANOHHXABNM-LESCRADOSA-N 390.465 -0.540 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ncnn2C(C)(C)C)CC1 1227198013 QMYCYGOYLQFDLT-UHFFFAOYSA-N 383.478 -0.672 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 1262943135 HJQPYCLDHLABAA-KGLIPLIRSA-N 384.506 -0.063 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1 1281985963 UWLYUKNAEYXRNR-TUVASFSCSA-N 385.486 -0.295 30 10 GBEE CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1324172839 FICMXCSHTGIMMA-UHFFFAOYSA-N 378.429 -0.286 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCOC3(CCN(C)CC3)C2)CC1 1327039546 OJVIQEYBICZQRR-UHFFFAOYSA-N 390.484 -0.702 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(CNC(C)=O)cc1 1331020934 BBVSEXNNZOYOIN-UHFFFAOYSA-N 381.454 -0.344 30 10 GBEE COC(=O)[C@@]1(N2CCN(C(=O)C(=O)Nc3cccc(C#N)n3)CC2)CCOC1 1335284687 FBNZZKRCFILOEN-GOSISDBHSA-N 387.396 -0.632 30 10 GBEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)C2 1349889451 KTZQEUQYNSDXDA-UHFFFAOYSA-N 392.437 -0.821 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccc1F 1556947315 NXTRDNUKJMEGAM-LBPRGKRZSA-N 383.405 -0.328 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1571886980 IWZWKDHPKOOELO-UFYUIRFASA-N 387.480 -0.413 30 10 GBEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O 1587904882 QRKHFARTNNERLB-UHFFFAOYSA-N 377.430 -0.456 30 10 GBEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCCN1CCO)c1cc[nH]n1 1637250370 YXOLLJMZQHBLEU-CYBMUJFWSA-N 381.433 -0.344 30 10 GBEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1642950384 BHSFWRQTUPUHAH-GFCCVEGCSA-N 383.426 -0.125 30 10 GBEE C#CCOCCC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1701858926 NCEWVMBTGSTKTC-NBOOPKSLSA-N 382.457 -0.645 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC)CC1 1705643757 RIDYJRADFBHORK-CQSZACIVSA-N 382.490 -0.566 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C(=O)C(C)C)C[C@@H]1O 1735927762 VYKGJOJCNLAADW-IVSAIRAKSA-N 381.473 -0.230 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1749670066 OELBREUYUGCTRD-KGLIPLIRSA-N 392.460 -0.227 30 10 GBEE C#CCCN1CCC[C@H](NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)C1 2204056921 JDJGQWSWAVXECO-VGWMRTNUSA-N 381.473 -0.069 30 10 GBEE CC1(C)OB(c2cc(Cl)cc(C(=O)NC(C(N)=O)C(N)=O)c2)OC1(C)C 2281816833 CLBFPPSOOICJFL-UHFFFAOYSA-N 381.625 -0.292 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)OC1(C)C 2282336580 AFGODZKMRSOXGT-OCCSQVGLSA-N 383.275 -0.041 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@@H](O)[C@H](O)C3)c2)OC1(C)C 2282347100 SSLAIJJVZZXFBZ-ZIAGYGMSSA-N 384.263 -0.503 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H]3NCC[C@@H]32)n1 2282845044 MGVCYNBXSKHUCI-WCFLWFBJSA-N 382.295 -0.252 30 10 GBEE CO[C@H]1CCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282846773 OHGAFOFRNMDTMF-MNOVXSKESA-N 386.283 -0.040 30 10 GBEE COCCNCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282852930 WLXXUKDHVNZECL-UHFFFAOYSA-N 388.299 -0.766 30 10 GBEE CC1(C)OB(c2csc(C(=O)N[C@H]3C(=O)NC[C@@H]3C(=O)O)c2)OC1(C)C 2284436627 FYIDXOIGQNDYAZ-GXSJLCMTSA-N 380.231 -0.024 30 10 GBEE Cc1sc(C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 2359279622 SRKVYHGBTKYBJM-SCRDCRAPSA-N 383.275 -0.106 30 10 GBEE CN([C@H]1CNC[C@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2369652039 IGHGGFCPHVYREH-MNOVXSKESA-N 388.274 -0.350 30 10 GBEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnn3ccccc23)c1=O 758069469 PWAAJTAFZXFPDA-UHFFFAOYSA-N 389.440 -0.004 30 10 GBEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 782051660 KPRACCHZLZNIBJ-WUKNDPDISA-N 396.469 -0.024 30 10 GBEE CCN(CC)CC[C@@H](CO)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 819607279 UPYKYZIQMLMERF-ZDUSSCGKSA-N 382.486 -0.066 30 10 GBEE C#C[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 854769783 UQSZMFWHCCYYAR-CHWSQXEVSA-N 378.406 -0.266 30 10 GBEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)n1 856588943 IUIKTADUYRNFIG-WFASDCNBSA-N 385.446 -0.529 30 10 GBEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)c(=O)nc1O 863935385 YKYRFCAZXRFISR-JTQLQIEISA-N 385.302 -0.243 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1117987752 HQFZUKKCMAMDTC-KRWDZBQOSA-N 390.484 -0.606 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@H](NC(=O)N(C)C)C1)C1CCN(C)CC1 1120501221 UFHPHFPSVNEGAV-HNNXBMFYSA-N 377.489 -0.195 30 10 GBEE C#CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1261665335 IPNCULHJUCZIOC-JTQLQIEISA-N 390.405 -0.205 30 10 GBEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318420465 ADCZHTBQPBTXIK-HOCLYGCPSA-N 397.435 -0.236 30 10 GBEE COCCOC[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 1325094981 DMTNOGHTQLGNDY-CQSZACIVSA-N 375.429 -0.230 30 10 GBEE CO[C@H]1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1(C)C 1348210937 YSRDPFIDLMIKPF-ZDUSSCGKSA-N 389.412 -0.523 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)c(C)c2)CC1 1455114609 GFCGHSKSGXUDPU-UHFFFAOYSA-N 389.441 -0.804 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(O)c2)CC1 1468419135 PCNBEEDAXLNWSA-UHFFFAOYSA-N 382.442 -0.304 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2nc(CCC)no2)CC1 1471450481 ATGSOTPJIJLKCW-UHFFFAOYSA-N 383.474 -0.043 30 10 GBEE N#C[C@@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1556607596 MRRQVBFZZSNYOE-QMMMGPOBSA-N 384.137 -0.119 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1O 1572856773 DHEZGFUUZNMLPZ-TUVASFSCSA-N 381.473 -0.182 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)CC1 1632623470 GAURUKIBNYKRTK-INIZCTEOSA-N 392.500 -0.456 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc1 1644940568 YZCSESALTZIMAU-CYBMUJFWSA-N 399.494 -0.391 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CC(C)C)C(N)=O 1686199278 ZRBYLKABXIDPSD-BARDWOONSA-N 376.457 -0.478 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1736503637 RFPWQRWJXHUDRZ-PHTVPRKPSA-N 389.452 -0.575 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CC1 1740696462 VBTYTTSHTJKUSB-OAHLLOKOSA-N 393.513 -0.150 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1749670068 QUEJPOLTCFCGFX-CYBMUJFWSA-N 383.474 -0.291 30 10 GBEE O=C(NCC#CCN1CCOCC1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 1850282316 KKDFPDXQEYFDDC-UHFFFAOYSA-N 385.420 -0.061 30 10 GBEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CN(C)C(=O)N3C)CC2)CC1 1889201756 CYKVGJBNHWOFLL-SFHVURJKSA-N 391.516 -0.389 30 10 GBEE C#CCN(C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2123460729 ILQNUSCJUCMIPW-ZDUSSCGKSA-N 386.470 -0.135 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N[C@@H](CS)C(=O)O)O[C@H]2C1 2253897839 LEVFZYWSENRMKJ-NAKRPEOUSA-N 376.431 -0.111 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CCC(N)(C(N)=O)CC2)OC1(C)C 2281796422 LNABILKQWRJBNM-UHFFFAOYSA-N 380.279 -0.139 30 10 GBEE C#CCC[C@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282313154 HPBZEQPKMQDLCR-NSHDSACASA-N 384.267 -0.833 30 10 GBEE COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282339156 WHVSXRYIMNKACG-CYBMUJFWSA-N 385.247 -0.202 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@H](CN3)C2)n1 2282503718 DYYDPIFEWQNVCB-NEPJUHHUSA-N 382.295 -0.298 30 10 GBEE C[C@H](O)CN(CCO)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508667 ZNSPQTWBOBEGAD-NSHDSACASA-N 389.283 -0.917 30 10 GBEE C[C@H]1CNC[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849703 FUTWGEJKWUTNDK-NWDGAFQWSA-N 384.311 -0.147 30 10 GBEE C(=N/N=c1[nH]onc1-c1nccnn1)\N=N\Cc1nonc1-c1nccnn1 2295355913 XKKGVPRELFQMOV-CZTJNBHRSA-N 380.292 -0.414 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(=O)N1C 288453920 FXHHXJORGNUHRO-BBRMVZONSA-N 397.435 -0.536 30 10 GBEE CO[C@H]1C[C@H](/C(O)=N/[C@@H]2CCN(c3cnn(C)c3)C2=O)N(S(C)(=O)=O)C1 329884317 SHJJXKOULGUQMN-YNEHKIRRSA-N 385.446 -0.469 30 10 GBEE CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C1 349484484 SAUKWPKBPQTWMT-AWEZNQCLSA-N 379.504 -0.368 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)NC1CCOCC1 349597539 BXJLEQHUJDTAGZ-AWEZNQCLSA-N 395.503 -0.581 30 10 GBEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cnc3ccc(C#N)cn13)C2 370004351 DYDGFTFYSPAPEG-UHFFFAOYSA-N 380.412 -0.332 30 10 GBEE 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COC1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CS(=O)(=O)C1 1135853852 LPSNXDRGNWLXQA-UHFFFAOYSA-N 380.426 -0.114 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnnn1CC1CC1 1286407065 BMNKEMLBWZXGFT-AWEZNQCLSA-N 379.428 -0.253 30 10 GBEE C[C@@]12CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C[C@]1(C)C(=O)NC2=O 1302285097 IQEMWNCMUJTMGL-CALCHBBNSA-N 390.421 -0.764 30 10 GBEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1316535338 KLPGOYNXAQSYLO-RRFJBIMHSA-N 390.444 -0.217 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](O)C(F)(F)C3)CC2)c1C#N 1328211394 WBGUGDUHJKTXJN-CYBMUJFWSA-N 396.398 -0.523 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1 1329859211 PEBBNBONGFDAQJ-HYVNUMGLSA-N 386.404 -0.032 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N2CCC(CO[C@H]3CCNC3)CC2)CCN1C1CC1 1332005626 DCAKIYHPXWIHSG-ROUUACIJSA-N 389.500 -0.198 30 10 GBEE C=CCn1cc(CNC(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)nn1 1351539887 RUTSFDZEHWGAQY-CABCVRRESA-N 375.433 -0.069 30 10 GBEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1356155745 AAHFTSARSRVSTD-AWEZNQCLSA-N 389.460 -0.011 30 10 GBEE C=CCNC(=O)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1540876726 ZBYQPMYEGKHRQW-UHFFFAOYSA-N 384.506 -0.041 30 10 GBEE CCOCc1ccccc1CNC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O 1559440306 HHFJLZJPQNAFQB-UHFFFAOYSA-N 386.408 -0.273 30 10 GBEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1C 1625702348 FQPGJLIPUFXYIV-LBPRGKRZSA-N 391.457 -0.020 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)Cc2cnn(C)c2)cc1 1638405523 XOXWHAXXEFTBRU-HNNXBMFYSA-N 376.438 -0.335 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@@H]1O 1739703937 UQKKEOGRACJYJH-WCVJEAGWSA-N 382.457 -0.291 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1748666715 GXLZULNCWRHEFB-OLZOCXBDSA-N 395.485 -0.373 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCOC1=O 1760162880 JAONLCAQWYUUEB-LBPRGKRZSA-N 384.462 -0.200 30 10 GBEE 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C[C@H](CC(=O)O)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284409058 DXPYUTMVSDGIFC-SECBINFHSA-N 388.255 -0.402 30 10 GBEE CO[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284409094 FFYXDZQGKNLAAA-VIFPVBQESA-N 389.239 -0.903 30 10 GBEE CCCCC#Cc1nc(N)c2c(n1)N([C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@@H]1O)CN2 299803381 MPNHPTGERJKBPH-WZTLGTBRSA-N 390.444 -0.627 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 424536212 BDEMQCJABBCYGO-JYJNAYRXSA-N 378.473 -0.636 30 10 GBEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCn2ccnn2)cc1 580785338 VQLKTGAFWLVDIT-UHFFFAOYSA-N 398.470 -0.209 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nnc2N(C)C)CC1 657700415 HSWQVVHCCBGUCS-UHFFFAOYSA-N 389.460 -0.764 30 10 GBEE N#C[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCN1C1CC1 737009602 VXZRUDYGXDUANL-OAHLLOKOSA-N 387.444 -0.054 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(C(C)C)C2=O)n1 806260166 IGTYBCLISWNYRS-MRXNPFEDSA-N 389.456 -0.383 30 10 GBEE 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C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1 1665895864 INIBMYPLCWAGJL-LBPRGKRZSA-N 387.483 -0.099 30 10 GBEE N#CCNC(=O)CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1672532369 FFHSSUKWSQZMIS-SECBINFHSA-N 381.190 -0.354 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC)CC1 1690110620 UIKQIGMBXWIZEB-UHFFFAOYSA-N 396.455 -0.183 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1748960906 QTLGNJWGEVUQPQ-CYBMUJFWSA-N 398.489 -0.793 30 10 GBEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1772788479 URYVYDJSZHMHQB-CYBMUJFWSA-N 387.392 -0.079 30 10 GBEE CS(=O)(=O)N1CC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)C1 1854206076 AGHSBIQMNMWEOT-UHFFFAOYSA-N 394.428 -0.240 30 10 GBEE CS(=O)(=O)N1CC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)C1 1857220826 YSYYMUFPIGMLQS-UKRRQHHQSA-N 394.497 -0.121 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NCCCNS(N)(=O)=O)OC1(C)C 2267174421 DVZHEIQSMATYCR-UHFFFAOYSA-N 390.296 -0.645 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CNC(=O)C2)OC1(C)C 2267709760 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C=C1[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)[C@H]1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 901141723 UOKWWJTVXURUID-MULDDASSSA-N 394.516 -0.541 30 10 GBEE C#CCN(CC(=O)N(C)Cc1ccn(C)n1)CC(=O)N(C)Cc1ccn(C)n1 1337607968 BWZSDJRSZXHVSK-UHFFFAOYSA-N 385.472 -0.294 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1541678669 GTLWVFPXWWTGRV-AHIWAGSCSA-N 378.433 -0.315 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)c1 1557576601 BQZDAMXUDOBCIB-OAHLLOKOSA-N 389.437 -0.269 30 10 GBEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)NC 1587921602 CTCZTRNSGWRMNT-INIZCTEOSA-N 385.490 -0.063 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccn(C)n3)on2)CC1 1643372505 OKWZAGQHUDGRTD-UHFFFAOYSA-N 378.414 -0.700 30 10 GBEE Cn1c(=O)c2ccn(CC(=O)ON3C(=O)c4ccccc4C3=O)c2n(C)c1=O 1772790346 QKWNINSGRNKTBB-UHFFFAOYSA-N 382.332 -0.207 30 10 GBEE CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C[C@@H]1C#N 1890720538 DFQRWZZIAZGRPF-QWHCGFSZSA-N 386.474 -0.410 30 10 GBEE C#C[C@@H](CO)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2244224159 JFCIDSQERPSMQF-UONOGXRCSA-N 384.410 -0.632 30 10 GBEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)CO 2267707863 ZDLNVQUXOOEHRF-ONGXEEELSA-N 392.308 -0.397 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)n1 2282038993 PKYWEBJSBFEPJC-IAZYJMLFSA-N 381.263 -0.508 30 10 GBEE C[C@@H]1CNC[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282321968 DQDKNVCZDVVOOL-MNOVXSKESA-N 385.299 -0.752 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N[C@H]2C(=O)NC[C@H]2C(=O)O)OC1(C)C 2284436473 DDYVPZJLNCOMRC-LDYMZIIASA-N 380.231 -0.024 30 10 GBEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 450126469 IUFIMEQOWHUMSB-OAHLLOKOSA-N 382.428 -0.141 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 459883918 JUZIJQIKGOALKE-KRWDZBQOSA-N 391.516 -0.480 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 492419622 QRHVXGLFIBTQHO-LBPRGKRZSA-N 376.379 -0.156 30 10 GBEE 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C#CCN(C(=O)C(=O)N1CCN(C(C)(C)CC)CC1)[C@@H]1CCS(=O)(=O)C1 1329953393 ZUGRCNXSJHIGMW-OAHLLOKOSA-N 383.514 -0.032 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccccc2C)CC1 1330297651 IOLWHAIZRQZQCG-UHFFFAOYSA-N 378.454 -0.663 30 10 GBEE C#CCN(c1nnc(-c2nccn2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1341072566 FGVRTXGSMVYVCK-ZDUSSCGKSA-N 378.458 -0.048 30 10 GBEE C#CCNC(=O)CCNC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1346326446 PLUHGJCIVCLNAX-INIZCTEOSA-N 386.500 -0.438 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCOC[C@H]2CCCO2)CC1 1468047162 MIPRYECNAZJEPC-OAHLLOKOSA-N 388.490 -0.633 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC(=O)NC 1508073381 WQRGDYOTPKCXAG-UHFFFAOYSA-N 377.449 -0.611 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1539368949 FOHHFMAWZLEDHN-ZDUSSCGKSA-N 398.489 -0.841 30 10 GBEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNS(C)(=O)=O 1540073914 UNUSAOYVPGTEFR-GFCCVEGCSA-N 391.519 -0.258 30 10 GBEE C#C[C@H]1COCCN1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565448806 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CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@]2(CNC(=O)C2)C1 349625490 VEZCPZKVXRAPDI-CQSZACIVSA-N 392.503 -0.906 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 425910354 VIFZYDKMFXBWNU-WCBJTDJXSA-N 394.424 -0.355 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 465960787 WJGTXUIVLGJAOC-MRXNPFEDSA-N 394.520 -0.797 30 10 GBEE Cc1cccc2c(=O)n(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cnc12 530265768 HSHYWMSGSCYELQ-UHFFFAOYSA-N 392.375 -0.078 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3C[C@@H](O)C34CCC4)n2)cc1 595181723 HAIDMNHKPQDPCL-LSDHHAIUSA-N 380.408 0.556 30 10 GBEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 844036738 IXTCZMFSYNEXFM-LBPRGKRZSA-N 393.469 -0.697 30 10 GBEE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1C#N 859396848 YOWBQAFDOSUUHN-JTQLQIEISA-N 377.419 -0.364 30 10 GBEE CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 1117335352 OALYACKQJCUAOE-ZDUSSCGKSA-N 393.469 -0.459 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)nn1 1118162885 SKDRIGFMENLNSY-AWEZNQCLSA-N 388.350 -0.393 30 10 GBEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)CC2)nc1 1258048047 TXRMEBYLUOHXJB-FQEVSTJZSA-N 396.451 -0.223 30 10 GBEE CNC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 1261512962 FXDVVESNDFHHBR-RYUDHWBXSA-N 392.437 -0.095 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cc(Cl)cn1 1282727883 AZHSOGASIWQBDL-MCIONIFRSA-N 377.832 -0.076 30 10 GBEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1288099630 FELLQDYZVXWLBX-IRXDYDNUSA-N 379.440 -0.075 30 10 GBEE C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H](C)NC(N)=O)nn1 1291839533 GIANKQACFBJRGD-OPDFLTKYSA-N 375.433 -0.227 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(N[C@H]2CCOC2)C1 1304083679 HOHMFEWFADAGKI-JSGCOSHPSA-N 378.454 -0.186 30 10 GBEE CC(C)C[C@H]1COCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1330465885 HHQHWQRNPSWXSA-ZGTROFRASA-N 378.429 -0.098 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1331529882 XEEDPOFEJDXXLA-AWEZNQCLSA-N 385.486 -0.443 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CCN(C)CC1 1340549965 HAAQJHKGUYUAAE-QGZVFWFLSA-N 377.533 -0.458 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359301070 QVTHFUHAWRTFQY-ZIAGYGMSSA-N 389.460 -0.360 30 10 GBEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 1470561153 FWRHHQXZYNRFIF-ZIAGYGMSSA-N 392.456 -0.318 30 10 GBEE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191422 FIUDECOAUDOIHS-HVOFVXBASA-N 383.470 -0.561 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCN2CCCC2=O)C1 1489349247 UADGFKPEZLJYKU-BORJPKMPSA-N 379.457 -0.332 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCCO)C2)C1 1629978724 TXJRWNDUODKPTI-XYEKJYRLSA-N 380.445 -0.002 30 10 GBEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705546521 KUMVBHQVDCLNRE-SCLBCKFNSA-N 390.444 -0.012 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CC2)CC1 1705647126 AWBRWCSTPZLUJM-CQSZACIVSA-N 386.456 -0.280 30 10 GBEE C=CCNC(=O)NC(=O)CNCCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1716556494 HXPMWDSONNAJEM-OFQRWUPVSA-N 382.461 -0.512 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)n1 1736506221 NAWUNWSTWDKRJC-RQJABVFESA-N 375.433 -0.457 30 10 GBEE C=CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C(F)(F)F)C1 1736612335 SKUBXJRIRZFXPE-WISYIIOYSA-N 393.362 -0.273 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCNC(=O)C1 1740989735 WKGLPVJKVWHGNI-UHFFFAOYSA-N 376.442 -0.123 30 10 GBEE CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1768296345 BHJOUEIWPDTOPX-GFCCVEGCSA-N 392.445 -0.597 30 10 GBEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cnc4ccccn4c3=O)C(=O)C2)C1 1855029666 XOVHIAKUIUKDRB-OAHLLOKOSA-N 394.435 -0.033 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(F)(F)CO 2267354947 DHMKUTFKSCROPI-UHFFFAOYSA-N 382.198 -0.980 30 10 GBEE Cn1cc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281975246 KAIZBOCKQUOHEQ-NSHDSACASA-N 383.279 -0.022 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3O)cs2)OC1(C)C 2282195711 QEGSWBIACRGJKT-WGEPELCKSA-N 383.275 -0.120 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN[C@@H]2C[C@@H]21 2282340622 IEHKUJLBWNRGSP-RAIGVLPGSA-N 382.295 -0.252 30 10 GBEE CON(C1CNC1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282418576 OYKNLZGPFXYIEQ-UHFFFAOYSA-N 386.283 -0.448 30 10 GBEE Cn1ncc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282541149 TVXJLWGAJWEAER-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CN(CCS(=O)(=O)N(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2282578327 QFMGDAYZTUFNIL-UHFFFAOYSA-N 386.283 -0.328 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1COCC[C@@H]1O 2282856346 QYIGWUQOZMSMEB-MNOVXSKESA-N 387.267 -0.853 30 10 GBEE CON1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282860470 ASPJFYLIUPNSNA-LLVKDONJSA-N 386.283 -0.367 30 10 GBEE 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30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2(CO)CNC2)OC1(C)C 2267710537 XFPXVWLCJGLFBA-UHFFFAOYSA-N 388.320 -0.199 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@H]1CN2 2282316896 JJIYCWYZYMJEIP-MNOVXSKESA-N 383.283 -0.761 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](CN)C(F)(F)F 2282337688 IZEKHKOMZOVFSU-SECBINFHSA-N 398.216 -0.113 30 10 GBEE Cc1nc(S(=O)(=O)NCCCC(N)=O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504987 XGDSHYRYPDFCKI-UHFFFAOYSA-N 386.283 -0.428 30 10 GBEE Cc1nc(S(=O)(=O)N[C@H](CO)[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510953 GZVUPGACMSUVOD-GXSJLCMTSA-N 389.283 -0.952 30 10 GBEE CON(C)C(=O)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282829267 CCHRKTREIJJKJT-UHFFFAOYSA-N 385.251 -0.321 30 10 GBEE Cc1scc(C(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2369544317 YHLCLGFJUSOYSV-OBJOEFQTSA-N 383.275 -0.106 30 10 GBEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@](O)(C(N)=O)C2)CC1 285025067 MRGROSZOSQHHHC-LPHOPBHVSA-N 389.431 -0.543 30 10 GBEE CC(C)(CCCO)C/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 330665624 VOQQDIZBBFSZFD-UHFFFAOYSA-N 392.522 -0.106 30 10 GBEE Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cnc21 371622852 ZDBHDPSOVHQJNW-NSHDSACASA-N 390.425 -0.605 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 563608761 GTSVPXOTYDTDDM-UHFFFAOYSA-N 377.489 -0.824 30 10 GBEE Cn1cnc2c1c(=O)n(CC(=O)NCc1cc(F)c(C#N)c(F)c1)c(=O)n2C 583255409 ZIEGNGFHFHCAPJ-UHFFFAOYSA-N 388.334 -0.100 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC(F)(F)C[C@H]2CO)CC1 594636208 GNYHCKAQRNVTOA-JTQLQIEISA-N 387.430 -0.616 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N(C)Cc3cccc(C#N)c3)C[C@@H]12 595131113 OUCSDTNYEQWOFH-XHSDSOJGSA-N 391.449 -0.213 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN2CCCN1CC2 819684657 MWRDNYRUUFVEMV-ZDUSSCGKSA-N 377.470 -0.769 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Cl)nn(C)c2Cl)CC1 831584274 JIYSQCSOEZQBQI-UHFFFAOYSA-N 380.257 -0.048 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](O)C2)c1 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10 GBEE CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1ccc(C#N)o1 1747226706 KNZFDHQRNHTTFU-GFCCVEGCSA-N 399.411 -0.525 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)C 1748826356 SLSWVWXJYYJPGU-CQSZACIVSA-N 394.501 -0.124 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760201259 NIENCLXVOLVNHC-KRWDZBQOSA-N 388.453 -0.699 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C(C)(C)C2=O)CC1=O 1856752256 UQTCLDPDIRFBKA-UONOGXRCSA-N 397.497 -0.343 30 10 GBEE COc1cc(S(N)(=O)=O)cc(C(=O)NCC#CCN2CCOCC2)c1OC 1889214839 JEEZBODODAYUMA-UHFFFAOYSA-N 397.453 -0.583 30 10 GBEE N#C[C@@H]1CN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(=O)O)CCN1Cc1ccccc1 1924768407 MWVGTKNENZRYNZ-PMPSAXMXSA-N 391.449 -0.032 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H](O)C1CCC1 2282290759 BHAGOBXBPHUWRS-LLVKDONJSA-N 386.283 -0.446 30 10 GBEE Cc1ccc(S(=O)(=O)NC2(CO)CNC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282307859 JJWUSWXCOLTJIO-UHFFFAOYSA-N 382.291 -0.093 30 10 GBEE 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30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 1328050660 ILWPDSXYNYXRJC-MRXNPFEDSA-N 376.434 -0.018 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(C3CCOCC3)n2)CC1 1329899055 BZRSLBNVLSOQTK-UHFFFAOYSA-N 381.458 -0.540 30 10 GBEE Cn1cc(C(=O)N[C@@H]2CCN(O)C2=O)c(CN2C(=O)c3ccccc3C2=O)n1 1641379374 WSZIMHHOPDKZGQ-CYBMUJFWSA-N 383.364 -0.064 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)c1 1647912459 MIYLUYSQVRDSDQ-UHFFFAOYSA-N 399.494 -0.119 30 10 GBEE C#CCNC(=O)C1CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1663573958 HDBYHRUIARDSDK-ZDUSSCGKSA-N 376.500 -0.398 30 10 GBEE C#CCNC(=O)CN1CC2(CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)O2)C1 1733790538 KSNGOENNGVVSLI-UIBIWLFHSA-N 375.469 -0.100 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740960674 XNSAGDNHRLRVPU-UONOGXRCSA-N 392.460 -0.575 30 10 GBEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCOCC1 1760225586 UCRFTAXSVCWSFR-ZDUSSCGKSA-N 398.489 -0.793 30 10 GBEE 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C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1)[C@@H]1CCCO1 848954785 PAPGTHMFXDITOR-CABCVRRESA-N 383.451 -0.052 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1)C1CCN(C)CC1 910884257 AHPCUOGEVDZZCG-UHFFFAOYSA-N 391.516 -0.789 30 10 GBEE N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCNCCNCC3)CC2)c1 926311038 SFJKDXPUAGQXAO-UHFFFAOYSA-N 385.468 -0.051 30 10 GBEE C#Cc1ccc(Cn2nnnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1120240884 UXPZPXDNAUDDPE-UHFFFAOYSA-N 379.424 -0.370 30 10 GBEE C#CCC[C@H](O)CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1256204193 VJWATEGLIFLOGW-DLOXAQCQSA-N 386.470 -0.041 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1301967807 HDBXATHPDSVTPH-JKIFEVAISA-N 396.517 -0.157 30 10 GBEE C#CCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CCS(=O)(=O)C1 1321570136 BTAKPJGCWSZQSV-CQSZACIVSA-N 389.437 -0.870 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)NCCN1C[C@H]2CCCCN2C1=O 1328094052 SCRCUGVVLZGSSU-CYBMUJFWSA-N 386.474 -0.890 30 10 GBEE CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCc2c(CC#N)cccc2C1 1329342190 SBVZGLUBJBUDEE-UHFFFAOYSA-N 378.454 -0.355 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1330584818 KKEHURWWIGANRS-HUUCEWRRSA-N 399.513 -0.537 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccccc1-n1cncn1)[C@@H]1CCS(=O)(=O)C1 1343279301 BYOADGYMFUPSAG-CYBMUJFWSA-N 387.421 -0.145 30 10 GBEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCN(C(=O)CC#N)CC3)ccc21 1346457773 NUUBMARWXLAPIC-UHFFFAOYSA-N 397.435 -0.090 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCCc2cnn[nH]2)C1 1513008569 URZAKVQSNJGBAD-FPCVCCKLSA-N 377.445 -0.204 30 10 GBEE C#CCCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1584028099 MCKWMRWHAQACMK-ZFWWWQNUSA-N 385.511 -0.057 30 10 GBEE Cc1ccc(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)cc1S(=O)(=O)NCC#N 1629885093 NROJVRJMKNACFD-SNVBAGLBSA-N 379.398 -0.276 30 10 GBEE C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 1639206436 MPTGAAGVEPQOLG-AAEUAGOBSA-N 385.467 -0.082 30 10 GBEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC#CCN(C)C)CC1 1684869681 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-0.061 30 10 GBEE CC(=O)NCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350267 KNFOCJWKJAWEGO-UHFFFAOYSA-N 386.283 -0.524 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC3(C(=O)O)CNC3)c2)OC1(C)C 2282421532 OWUALRZGUXWWGL-UHFFFAOYSA-N 383.235 -0.914 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](S(N)(=O)=O)C2)n1 2282548181 WDCVVIHYMKYCSD-JTQLQIEISA-N 384.267 -0.778 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2CCN[C@H]2C1 2282853720 HYABPGBLEMTVNS-NEPJUHHUSA-N 382.295 -0.298 30 10 GBEE COC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2319398387 OGZUTJKYNGSDET-MLGOLLRUSA-N 376.475 -0.204 30 10 GBEE CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2342073327 BKCIFPMLWPJJBJ-MJBXVCDLSA-N 388.486 -0.109 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](Cn3cccn3)C2)c1=O 152800428 GJUAUUYWLBCLGJ-HNNXBMFYSA-N 388.428 -0.901 30 10 GBEE Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)CC2 286158886 BYVZSJSHXXZYNN-HNNXBMFYSA-N 394.439 -0.367 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 367804926 VLFGSHRAUULEGM-UHFFFAOYSA-N 379.504 -0.157 30 10 GBEE C=C[C@@](C)(O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 614578223 YEJRYPOGMBLWAM-AUUYWEPGSA-N 375.473 -0.114 30 10 GBEE N#C[C@H](C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)N1CCS(=O)(=O)CC1 732910046 KJBYMWXISPAYSX-NXEZZACHSA-N 395.359 -0.637 30 10 GBEE CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 805607875 SVCVFIJVCDAZOK-MHZLTWQESA-N 393.469 -0.043 30 10 GBEE C=C1[C@@H](C(=O)N(C)CC(=O)N2CCCC2)[C@H]1C(=O)N(C)CC(=O)N1CCCC1 900032704 LNPMEZZRVMZHRH-HDICACEKSA-N 390.484 -0.050 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 1120440171 VWOQJAFWRBSGLL-UHFFFAOYSA-N 392.500 -0.624 30 10 GBEE NC(=O)[C@@H]1CCCN(CCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1136516680 FWDUMMGQRYJXIP-DOXHGZAWSA-N 377.445 -0.394 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1138972593 QNCWJNOPOWTJPV-CABCVRRESA-N 395.481 -0.990 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c1 1152814292 UYOMDJGGVFDEAI-CVEARBPZSA-N 391.449 -0.282 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1257026992 QTVPBGWVFONLFR-ZDUSSCGKSA-N 380.422 -0.334 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCc2nnnn2CC1 1261540617 OFUVGHJAHIGYBW-HUUCEWRRSA-N 383.412 -0.442 30 10 GBEE C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)c2ncnn21 1261643709 CFLUCZXPOXJPER-QWRGUYRKSA-N 376.464 -0.621 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([S@](C)(=N)=O)CC3)CC2)o1 1308057854 CZTQATWPNYSESI-MHZLTWQESA-N 395.489 -0.288 30 10 GBEE CCc1cnc(CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 1322759705 GLSFNELFOUMHDF-YPKPFQOOSA-N 377.426 -0.036 30 10 GBEE C=C(C)Cn1c(N2CCN(CC(N)=O)C(=O)C2)nnc1[C@]1(OC)CCOC1 1341832108 GTQQLNLKDXTPMR-KRWDZBQOSA-N 378.433 -0.750 30 10 GBEE C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1O 1343314148 GQCYHLUMSSDZOM-WVWOOGAGSA-N 378.347 -0.176 30 10 GBEE C=C(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC)CCOC1 1343396166 CCRRHNZVRMIZNG-FZKQIMNGSA-N 390.444 -0.737 30 10 GBEE CN1C[C@@](C)(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1=O 1503674584 ZEQPCRDSBRQQOK-ACJLOTCBSA-N 387.444 -0.279 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1=O 1523040784 FLTNNKDHPAHLBH-LLVKDONJSA-N 391.405 -0.350 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)(F)F 1539260316 NZUSHJVYJPMBQQ-LLVKDONJSA-N 382.346 -0.020 30 10 GBEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCO[C@](C)(C#N)C3)c(CCO)c2=O)n1 1558602525 UHDUAHPQYCNJLM-GOSISDBHSA-N 386.412 -0.138 30 10 GBEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C#N)CO 1569055364 RRHQJFXZSAEBEY-GXFFZTMASA-N 387.845 -0.126 30 10 GBEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCN(O)C1=O 1628366280 FKCNSNWTNDICBN-GFCCVEGCSA-N 399.425 -0.377 30 10 GBEE CN1CCN([C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc2)CC1 1633549838 APXIPAMWHKBBQO-KRWDZBQOSA-N 396.451 -0.075 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCn2ccc(O)nc2=O)c1 1644680132 XOJOWDTWTRHFJG-UHFFFAOYSA-N 378.410 -0.157 30 10 GBEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689888506 KXBQHYDGVNTTFC-KBPBESRZSA-N 399.455 -0.820 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)CC)CC1 1722441432 QCVRDHMGFUGJDA-OAHLLOKOSA-N 396.517 -0.176 30 10 GBEE N#CCNC(=O)CN1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1733909650 OMFRTECGDWOPCR-OCABDXPQSA-N 388.468 -0.257 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1740610805 LTEIZWNUGWFUGF-CQSZACIVSA-N 393.473 -0.538 30 10 GBEE C=C[C@H](CO)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2244226123 QZTIMPSRMBXDNT-ZIAGYGMSSA-N 386.426 -0.079 30 10 GBEE CN1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(=O)N1 2267371427 AFJXQMDBGHWURA-SNVBAGLBSA-N 387.292 -0.329 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(N)(C(N)=O)C3)s2)OC1(C)C 2267415602 DABPRPTVXUURHC-UHFFFAOYSA-N 387.292 -0.766 30 10 GBEE 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C#CCN(C(=O)C(=O)NC[C@H](CC(=O)O)CC(C)C)[C@@H]1CCS(=O)(=O)C1 851687411 UJUBRWHAVURRMX-UONOGXRCSA-N 386.470 -0.112 30 10 GBEE COc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1C#N 857089875 FYBQUCNDPKBBPU-HUUCEWRRSA-N 379.438 -0.517 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861785918 CMQDJJWUEJZTSS-CABCVRRESA-N 380.445 -0.521 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](CO)[C@@H](CCO)C3)CC2)o1 1176965518 NXLMHDRIMIUHSK-GJZGRUSLSA-N 377.445 -0.574 30 10 GBEE C#CCN(c1nnc([C@]2(C(C)C)CNC(=O)C2)n1C)[C@H]1CCS(=O)(=O)C1 1262905437 SMUBMULPVYAOTC-GUYCJALGSA-N 379.486 -0.145 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1263805978 ZURIMPQRYLAMKC-HLUFSKSISA-N 376.457 -0.046 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1286788241 SKALXNCTORJJJI-QWHCGFSZSA-N 394.457 -0.789 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC)[C@H]1CCS(=O)(=O)C1 1320547019 AFWNEZHLMYQEEL-NSHDSACASA-N 381.410 -0.303 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 1325828093 NCUSAVSTZDUYSQ-KRWDZBQOSA-N 398.463 -0.298 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 1330152960 ZVOPYDWDUPQDLR-OAHLLOKOSA-N 376.457 -0.556 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)CC1 1336320270 SEGAWGWFQQULOS-SFHVURJKSA-N 390.528 -0.010 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCS(=O)(=O)[C@H](C)C1 1339640595 BKCVTHHHYSVBML-VXGBXAGGSA-N 385.515 -0.139 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1340487627 MVJMOGQFBIDSLJ-VXGBXAGGSA-N 385.515 -0.139 30 10 GBEE C#CCC1(NCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCOCC1 1350092657 MYVKQUQQFAWFJS-INIZCTEOSA-N 383.514 -0.520 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1507601758 UJCKBPLMSHZNEI-HUUCEWRRSA-N 398.533 -0.074 30 10 GBEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnnn2C)CC1 1539429919 FBYHEPOPMKULTH-OAHLLOKOSA-N 388.476 -0.066 30 10 GBEE C#CCN(C(=O)Nc1ccn(CCS(C)(=O)=O)n1)[C@H]1CCS(=O)(=O)C1 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377.401 -0.577 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)C[C@@H](OC)C2CCOCC2)CC1 645447620 BHSFOOQMZGALIM-MRXNPFEDSA-N 389.518 -0.322 30 10 GBEE C#CCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 729331836 QOKHKNBBWJOBRJ-CYBMUJFWSA-N 381.454 -0.110 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 811903805 WSFWJZUNKFFLQK-UHFFFAOYSA-N 382.508 -0.889 30 10 GBEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C1CCOCC1 823164107 RNRIYMKQTFHYDD-CQSZACIVSA-N 381.458 -0.146 30 10 GBEE C=CCCSCCNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CNC[C@H]32)C1 884778489 XMDUKBCWOKYQIN-MCIONIFRSA-N 382.486 -0.195 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC(C)(C)CN2)CC1 884881818 JXRYKCMGHTWQCR-HNNXBMFYSA-N 379.505 -0.673 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 1323469668 NTHBZJTUXSKUQO-OAHLLOKOSA-N 393.421 -0.098 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 1331616112 WIRUWZCZFDTGAU-HIFRSBDPSA-N 379.438 -0.238 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CCCC23CC3)CC1 1334678675 RQTOTXGEYNTULY-AWEZNQCLSA-N 379.490 -0.157 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 1346978550 JWGKSBMJBHTOJV-FENQKFPNSA-N 376.413 -0.325 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 1563602528 NLXXMUPVIKRWNL-UHFFFAOYSA-N 397.501 -0.818 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCS(N)(=O)=O 1686085217 GNJKJZAVUXLUEN-MRLBHPIUSA-N 385.486 -0.106 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC)CC1 1749663388 CMTMCURJOFNRLG-UHFFFAOYSA-N 386.460 -0.057 30 10 GBEE CN1C[C@H](C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)CC1=O 1857120161 OVBDXCVTLXUCFE-DOMZBBRYSA-N 383.408 -0.378 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H](CN)CO)OC1(C)C 2255793891 DMICEMWRWZOWLY-VIFPVBQESA-N 377.297 -0.819 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(C(N)=O)C2)OC1(C)C 2267706810 FYKOPPIURXIXQW-UHFFFAOYSA-N 387.292 -0.311 30 10 GBEE CC#CCN1CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CC1 2279136712 HEHGWBVBDSSDQV-OWCLPIDISA-N 381.473 -0.115 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O 2282173345 HZULSMWMJJDPND-YPMHNXCESA-N 384.263 -0.788 30 10 GBEE C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1O 2282303752 AMANFCCXQRZOKE-GHMZBOCLSA-N 386.283 -0.494 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](CO)[C@@H](F)C1 2282309283 CNGPQEKHKJHRHI-UWVGGRQHSA-N 390.246 -0.935 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2CNC[C@H]2C1 2282328718 BTSPROVWZCUAOM-RYUDHWBXSA-N 382.295 -0.441 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCc1cn[nH]c1 2282330369 YQWJHNWFNLAMTJ-UHFFFAOYSA-N 381.267 -0.037 30 10 GBEE CC(=O)NCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282332109 WMSAFBJLOZVAGJ-UHFFFAOYSA-N 386.283 -0.476 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC([C@H](F)CO)C2)n1 2282837851 HLHUENHACLRLDW-GFCCVEGCSA-N 389.258 -0.330 30 10 GBEE C#CCN(C)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282850497 PONNCKPQHGZRSE-UHFFFAOYSA-N 382.295 -0.437 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NOCCCC(=O)O 2284399061 FZCDNTJZHDNIHO-UHFFFAOYSA-N 390.227 -0.811 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]1CC(=O)O 2284412597 CZUSNCBIHGUJTF-JTQLQIEISA-N 385.251 -0.043 30 10 GBEE CC#CCN(CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)C(=O)OC(C)(C)C 2337917878 GLMOIJIVOATMKN-CYBMUJFWSA-N 386.474 -0.392 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)C1=O 427995013 UTPNUYLLBMJXTF-ANVZXPRTSA-N 385.420 -0.412 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 508830557 ZPOJZRBNIAMRSP-CHWSQXEVSA-N 399.473 -0.204 30 10 GBEE CN1C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CC1=O 594632617 KCOVHVSYKDBZCU-NSHDSACASA-N 386.455 -0.660 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)n1 788814353 NQPBQHCMLXMDOV-VOTSOKGWSA-N 385.424 -0.398 30 10 GBEE 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10 GBEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCS(N)(=O)=O)n1C 2362436223 NZYQWTYDTJAQKL-UHFFFAOYSA-N 386.283 -0.612 30 10 GBEE C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CCS(=O)(=O)C(C)(C)C1 261982637 PGSVVNZEPBOQNT-UHFFFAOYSA-N 394.563 -0.258 30 10 GBEE C[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)n1cnc(C#N)n1 409914547 YQYXJTACTULFEE-OLZOCXBDSA-N 382.446 -0.636 30 10 GBEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cc1 597995259 LVLMLCBIBUEYBF-KRWDZBQOSA-N 397.453 -0.224 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CCN1Cc1ccccc1 599445779 UICUNPZMGXHSOA-DLBZAZTESA-N 399.451 -0.674 30 10 GBEE C#CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)[C@H]1CCS(=O)(=O)C1 781650963 PVADGIWDWAHLGW-ZDUSSCGKSA-N 375.410 -0.067 30 10 GBEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2CCOCC2=O)cc1OC 790766812 HCIJKDFZOFKXOW-AWEZNQCLSA-N 389.408 -0.070 30 10 GBEE CNC(=O)[C@H](C#N)C(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 850763414 DSDBRTSDUNZOMN-MNOVXSKESA-N 385.442 -0.277 30 10 GBEE NS(=O)(=O)c1ccc(N2CCN(C(=O)C#CC3CCNCC3)CC2)cc1 852857759 FEWOQPJXPZTWRD-UHFFFAOYSA-N 376.482 -0.014 30 10 GBEE N#Cc1ncccc1S(=O)(=O)N1CCC(N2C(=O)O[C@@H]3CNC[C@@H]32)CC1 858617662 HQLRMZUZLBBPLI-UONOGXRCSA-N 377.426 -0.101 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C 860730378 VNMFNLMJVIHPBO-KBPBESRZSA-N 384.458 -0.575 30 10 GBEE C=CCNC(=O)CNC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1248591769 YUYISJWDERJOKS-UHFFFAOYSA-N 375.429 -0.637 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1300459190 ZCALHMPJDIFFCV-GFCCVEGCSA-N 381.458 -0.762 30 10 GBEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCCOC)CC1 1301452913 XKNPVVJIJDXEIT-AWEZNQCLSA-N 391.476 -0.700 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1303412439 YAEXABHXWWBNJX-PXAZEXFGSA-N 375.433 -0.377 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 1323657254 UAUNRIAMRADJJB-AWEZNQCLSA-N 381.454 -0.115 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC(OCC(N)=O)CC1 1326508663 TXQXUOOVSUDFBJ-UHFFFAOYSA-N 381.410 0.000 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1nnnn1CC1CC1 1327541136 JWBIQYOBMRGAFH-OAHLLOKOSA-N 383.412 -0.237 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1335156396 OFUGWCOQTABXNO-HNNXBMFYSA-N 377.441 -0.081 30 10 GBEE C#CCN(c1nnc(CCCN2CCCC2=O)n1C)[C@H]1CCS(=O)(=O)C1 1339854736 LIQYQQQRBQDBRJ-AWEZNQCLSA-N 379.486 -0.003 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 1348147207 VRFJAXMNKQVCPF-CQSZACIVSA-N 387.440 -0.367 30 10 GBEE CCOC[C@@H]1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1348210199 LYZNFPKBWQVSRA-LLVKDONJSA-N 375.385 -0.911 30 10 GBEE CN(CCc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 1348715634 ZESUVHNLBUBNLX-GOSISDBHSA-N 397.479 -0.018 30 10 GBEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@](C)(COC)C1 1355907864 NKSKGDRJEPMRLR-SFHVURJKSA-N 390.444 -0.230 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)CC1 1443052854 LBSOYXALFMGGNE-YLFCFFPRSA-N 388.472 -0.397 30 10 GBEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C[C@H]1CS(=O)(=O)C2 1479065287 WJYNBAVAJBEWLY-DXCKQFNASA-N 396.469 -0.654 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(C)(=O)=O 1507643257 SOHHSSBYJGMTSN-GFCCVEGCSA-N 387.487 -0.994 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595489889 JXGCOPZBCRXMFF-UHFFFAOYSA-N 377.449 -0.938 30 10 GBEE CS(=O)(=O)N1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1627137030 QZEOLYYZWLTYIZ-GXTWGEPZSA-N 375.472 -0.945 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)C1=O 1651118361 GMXMXPCCAPEPRF-CYBMUJFWSA-N 389.364 -0.300 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCn1c(O)nnc1O 1702922304 JQAUOUHHMMYYSP-AGIUHOORSA-N 379.417 -0.080 30 10 GBEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1848966046 MZSYVETXFGNANI-MRXNPFEDSA-N 376.438 -0.190 30 10 GBEE Cc1nc(S(=O)(=O)NC[C@H]2C[C@@H]2CN)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507848 MXVINEYCJAAKFY-VXGBXAGGSA-N 384.311 -0.099 30 10 GBEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)c1nn[nH]n1 2282829297 CJEXDTPHBDGRCM-MRVPVSSYSA-N 383.243 -0.728 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2[C@@H]3CCCN[C@H]32)n1 2282839114 ZBXFBJWSCLAXCD-RAIGVLPGSA-N 382.295 -0.252 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1[C@H]2CC[C@H]1CNC2 2282858049 RCTPLPWBGOIBCE-QWRGUYRKSA-N 383.283 -0.761 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@H]2CCO[C@@]2(C#N)C1 2358806874 VOCRNFGRGMKGEJ-YVXGTMEXSA-N 381.429 -0.141 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1[C@@H]2CCCO[C@@H]21 2359272801 XBIQASITYBJRKQ-DCAQKATOSA-N 384.267 -0.430 30 10 GBEE Cc1csc(C(=O)NC[C@H]2NC[C@@H](O)[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2359279011 NDMJFMZPACDUOZ-WZRBSPASSA-N 382.291 -0.221 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 32490083 QDKKAXBMNBZPHV-INIZCTEOSA-N 388.468 -0.138 30 10 GBEE CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2nncc2C1 349532627 BNDAXQDKKIAVQP-UHFFFAOYSA-N 390.491 -0.623 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC[C@H](OC)C(F)(F)F)CC1 583108537 NLKCAHPAMAGWPX-LBPRGKRZSA-N 394.394 -0.484 30 10 GBEE N#Cc1sccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 593529768 FMRHJXORKNIDAO-UHFFFAOYSA-N 398.466 -0.689 30 10 GBEE CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccsc1C#N 593572623 QBBWTNDSTXDZFP-JTQLQIEISA-N 387.439 -0.311 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3C[C@H](O)C34CCC4)n2)cc1 595181721 HAIDMNHKPQDPCL-GJZGRUSLSA-N 380.408 0.556 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1=O 726042697 LGZCNIDIZNSMDB-CHWSQXEVSA-N 393.396 -0.324 30 10 GBEE Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NCCNc1ncccc1C#N 846722395 SCGNAXQRVLBPMB-HNNXBMFYSA-N 383.412 -0.185 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CCCn2ccc(C(=O)OC)n2)CC1 878718721 KUCHTXZXNXKKDF-UHFFFAOYSA-N 375.429 -0.657 30 10 GBEE CN1CC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H](c2cnn(C)c2)C1 1134056803 VKDSPJXORANKSU-CUSZFKRNSA-N 391.497 -0.148 30 10 GBEE CNC(=O)C1(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 1155520105 BGBUZIHAZSDROY-UHFFFAOYSA-N 379.438 -0.116 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc(C(N)=O)c1C)[C@@H]1CCS(=O)(=O)C1 1321624553 CNZRCTKPTHTWBB-GFCCVEGCSA-N 377.422 -0.319 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@@H](CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1330354088 SPQUBXVCNFKNCC-RYUDHWBXSA-N 396.387 -0.185 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CCN1C1CC1 1348633525 YZMFVRZMESPECD-GOSISDBHSA-N 397.483 -0.638 30 10 GBEE C#C[C@H](NC(=O)C(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1)[C@@H]1CCCO1 1349249527 JEVRVKPMEZTVEO-ZIBATOQPSA-N 375.347 -0.190 30 10 GBEE O=C(N[C@H]1CCN(O)C1=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1450158701 QEWXBNROZUWZJZ-QWRGUYRKSA-N 377.806 -0.915 30 10 GBEE COc1ncc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C#N 1471781007 HTBCGXNOMPTIGK-WCQYABFASA-N 378.410 -0.064 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCCC)CC1 1539459260 BKBTWAIULAYIAK-UHFFFAOYSA-N 387.488 -0.318 30 10 GBEE Cn1c(O)nc(N2CC[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)cc1=O 1597993659 ITNBQIZCAPUNBW-ZDUSSCGKSA-N 382.376 -0.039 30 10 GBEE Cc1nc2cc(O)nn2c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611160955 ZISZIWVSVORLID-SJCJKPOMSA-N 389.437 -0.009 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 1632961368 XQSXLXLUFWOCTO-AWEZNQCLSA-N 376.438 -0.063 30 10 GBEE C#CCN(CC(=O)N(C)Cc1nnc2n1CCNC2=O)C(=O)OC(C)(C)C 1638206858 CYBALGRQWAXGJM-UHFFFAOYSA-N 376.417 -0.150 30 10 GBEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690677210 QWWBCRHHRFNYCY-CHWSQXEVSA-N 381.433 -0.523 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749671055 YJOBMCKFPCTIOC-CHWSQXEVSA-N 375.433 -0.702 30 10 GBEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1760176731 RYTIMSBCJRYYEN-INIZCTEOSA-N 381.458 -0.981 30 10 GBEE C#CCN(C)CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2059480983 GLVKGFHUHROWAV-ZDUSSCGKSA-N 375.491 -0.004 30 10 GBEE COC(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)OC 2267718887 ZPVJDFJRSOYMPK-UHFFFAOYSA-N 375.256 -0.384 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)[nH]n2)OC1(C)C 2281984903 GNYZIFLWWRYCNE-JTQLQIEISA-N 384.267 -0.541 30 10 GBEE Cc1c(C(=O)N[C@@H](C)CS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282059806 NNOWUIPUBGXYNN-VIFPVBQESA-N 386.283 -0.565 30 10 GBEE CN(CCCCCO)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282294871 DRVSNSKYQSAVRV-UHFFFAOYSA-N 388.299 -0.103 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(C)(C)CC(N)=O 2282420218 WAKAPBHRGQENTD-UHFFFAOYSA-N 386.283 -0.348 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H]2CONC2=O)OC1(C)C 2282833456 XOBPKVXVKDVJGC-LLVKDONJSA-N 386.210 -0.167 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@](C)(O)C1 2282846476 KKWFLRDRNKEUES-HNNXBMFYSA-N 386.283 -0.350 30 10 GBEE CNC[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282850151 LPLOYYNDRSYLHT-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC2(CCNC2)C1 2282863582 UDDMWXCCFFYTQV-UHFFFAOYSA-N 382.295 -0.297 30 10 GBEE C[C@H](F)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284413920 NXGLQGKMJDWPJI-KWQFWETISA-N 391.230 -0.191 30 10 GBEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H]1CCCN1 2286864812 ZOULFSLUEHAGSM-MNOVXSKESA-N 385.299 -0.467 30 10 GBEE C[C@H](C(/C=N/NC(N)=S)=N/NC(N)=S)N1C(=O)c2ccccc2C1=O 5766502 OPXFZJLGAZHBMA-VTEDWXGKSA-N 377.455 -0.321 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC(=O)N1C 574073356 NCWZNDLVHWJHRK-CJNGLKHVSA-N 397.435 -0.141 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C[C@@H]12 595787117 UFLAIJQSQUXPMS-NXOAAHMSSA-N 398.529 -0.577 30 10 GBEE N#CC1(C[C@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCOCC1 599388592 JGGGNDQFDITABX-AWEZNQCLSA-N 383.474 -0.213 30 10 GBEE C#CCN(C(=O)NCCCN1CCC[C@@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 774220831 WBZUZDQGNGJPTA-HUUCEWRRSA-N 384.502 -0.594 30 10 GBEE C#CCN(C(=O)CN1CCOC1=O)C1CCN(C(=O)CN2CCOC2=O)CC1 831550630 FUQPGUDSLGFBTD-UHFFFAOYSA-N 392.412 -0.656 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)CC2(OCC)CCOCC2)CC1 858941646 GMWXRGWQTUYBLR-UHFFFAOYSA-N 387.502 -0.731 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)CC1 865157176 QIUOGFVXKDCSEG-UHFFFAOYSA-N 389.456 -0.117 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@H]4NCC[C@@H]43)CC2)c1C#N 868418587 KLCKVTBLLOBYCF-CVEARBPZSA-N 385.472 -0.398 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 1118527805 HMYNRZKNESNESX-OAHLLOKOSA-N 391.472 -0.811 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1286407400 KLCFOGROAQEGOQ-ZIAGYGMSSA-N 375.454 -0.263 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)c2nn[nH]n2)ccc1F 1303579189 ZJTFDANTHZAPFP-NSHDSACASA-N 384.393 -0.079 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)n1 1327351204 DBJLJPODQBNJGN-CQSZACIVSA-N 384.383 -0.280 30 10 GBEE C=CCOCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1327426641 MVWOAFVXNZKJNT-HNNXBMFYSA-N 380.489 -0.103 30 10 GBEE CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1CCN(C)CC1 1332411696 WLIFDKCGXRQUHS-ZWKOTPCHSA-N 390.532 -0.427 30 10 GBEE C=C(C)Cn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(C(=O)COC)CC1 1343763570 MOHMZEXYGLGHOR-HUUCEWRRSA-N 378.477 -0.113 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 1463913464 BCXZERKOUWRQPZ-CHWSQXEVSA-N 397.419 -0.207 30 10 GBEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1539539754 YCVJHVQQRNWENU-MLGOLLRUSA-N 382.490 -0.031 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1703023377 XMWUZFPATBFGAL-MCIONIFRSA-N 376.413 -0.832 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)C)CC1 1740705492 HNKOTGKZAIWBCD-OAHLLOKOSA-N 388.472 -0.164 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(OC)C1 1740960504 UBFWFAYYSHRFCC-GFCCVEGCSA-N 383.474 -0.293 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC2)CC1 1760260389 ZVERTWAZPUITQK-CQSZACIVSA-N 379.486 -0.540 30 10 GBEE C#CCCN1CC[C@H](NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2204220666 RYZSVGQWADLYBH-YZVOILCLSA-N 381.473 -0.067 30 10 GBEE C[C@@H]1C[C@H](N)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282300028 ZOCMZOMQCCQJOM-MNOVXSKESA-N 385.299 -0.528 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC(C)(C)[C@@H]1O 2282312220 SILLWNMXUWOKOF-NXEZZACHSA-N 386.283 -0.448 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H](F)C[C@H]2CN)n1 2282488151 AYIZSBONYMIPFH-QWRGUYRKSA-N 388.274 -0.221 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H](C)CO1 2282842454 YSBHFXATQMSPLJ-QWRGUYRKSA-N 386.283 -0.088 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H]2CC(=O)O)n1 2284393181 HXXSUXUWKYPZDI-SNVBAGLBSA-N 385.251 -0.043 30 10 GBEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@H](O)CO)cc1 254817421 WBMPULPUKRXAPR-NSHDSACASA-N 388.384 -0.357 30 10 GBEE C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CCN(C2CC2)C(=O)C1 262808732 ULZMRCAUPXGTPL-UHFFFAOYSA-N 389.547 -0.753 30 10 GBEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 364739800 PCJOCXNFLQWBOL-CWRNSKLLSA-N 393.465 -0.060 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 425910894 YYPXGQWQBXIADP-HOTGVXAUSA-N 378.473 -0.540 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC(=O)N1C 570050246 YWUSGMDHBRFNFN-VXGBXAGGSA-N 392.437 0.000 30 10 GBEE N#CCC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 570293740 QPDSJDWRDZCRKC-UHFFFAOYSA-N 399.455 -0.510 30 10 GBEE CN1CCN(C(=O)CC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)CC1 574356080 ZMJYSEOVRUNKGJ-UHFFFAOYSA-N 388.476 -0.265 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 680908922 YLSOHOZWCNYMCC-UHFFFAOYSA-N 386.434 -0.934 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 684667516 NYAXLFFHUHJTEG-UHFFFAOYSA-N 380.470 -0.298 30 10 GBEE CCOC(=O)N1CCC(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)CC1 798746566 WGGWDOFRCXXQAM-NSHDSACASA-N 378.389 -0.009 30 10 GBEE C#CCNC(=O)CN1CCN(CC(=O)NCC#C)[C@H](Cc2ccc(F)cc2)C1 886375095 XTZBCGBRPMBZML-LJQANCHMSA-N 384.455 -0.147 30 10 GBEE C[C@H](COCC(F)(F)F)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117162582 FMJZXNILDTTWEE-JFJDQEMCSA-N 392.334 -0.287 30 10 GBEE CS(=O)(=O)[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C(F)(F)F 1228011765 VIDBEQXNSSFQKE-RKDXNWHRSA-N 380.352 -0.233 30 10 GBEE C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1c1cnn(C)c1 1264500184 URIGNAWKEHAUDN-NRSFXHEJSA-N 388.516 -0.054 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC 1286296843 RUXGOJHZQNOZSP-QWHCGFSZSA-N 398.489 -0.795 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)CC1 1301509487 ICMXIGFYGBIXHW-UHFFFAOYSA-N 380.474 -0.729 30 10 GBEE CCO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1CNCC#N 1316689025 CDUIFNCGMBMZJD-ZJPYXAASSA-N 380.489 -0.157 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1330354089 SPQUBXVCNFKNCC-VXGBXAGGSA-N 396.387 -0.185 30 10 GBEE C#C[C@H](NC(=O)C(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1)[C@H]1CCCO1 1349249526 JEVRVKPMEZTVEO-RWSFTLGLSA-N 375.347 -0.190 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 1500840120 SSJGHABGRDCJBT-QLFBSQMISA-N 376.457 -0.237 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O 1587990476 YCIWGIGFRNVDLT-RYUDHWBXSA-N 394.457 -0.762 30 10 GBEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CCN(S(C)(=O)=O)CC1 1622806376 HQBIRCQAGDVMPO-FOCLMDBBSA-N 384.458 -0.215 30 10 GBEE CN(C)C[C@]1(O)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1632763684 XXSCCNPIRJGESJ-QGZVFWFLSA-N 380.470 -0.360 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)CC)CC1 1632960710 MIBWRGAGLJRMDL-UHFFFAOYSA-N 399.494 -0.294 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(OC)c(C#N)c2)CC1 1680429797 RSBUHEHAOBJXSH-UHFFFAOYSA-N 378.414 -0.421 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2ccc(O)nc2)C1 1683633463 AQVIUFWSGKXESW-WCVJEAGWSA-N 375.425 -0.001 30 10 GBEE C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCNC(N)=O)CC1 1736547927 NPYMDQWPCUCQOV-OAGGEKHMSA-N 375.473 -0.362 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1759256793 KFIOJLCKGLGFEF-WCVJEAGWSA-N 379.457 -0.035 30 10 GBEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 1892691031 GRHQFJPOCQZBHT-GFCCVEGCSA-N 386.474 -0.039 30 10 GBEE O=C(N[C@H](CS(=O)(=O)NCCC#CCO)C(=O)O)OCc1ccccc1 1902901201 ICPNCDDADYKSNQ-CQSZACIVSA-N 384.410 -0.329 30 10 GBEE C#CC[C@H](CO)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2249440152 UPQATSNYLBUWIM-CABCVRRESA-N 398.437 -0.242 30 10 GBEE CO[C@@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2277914444 ASHBYKDQRFBSHS-SNVBAGLBSA-N 392.308 -0.131 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)s1 2281947305 SNSCXEKPSJPIGC-YVECIDJPSA-N 383.275 -0.059 30 10 GBEE Cc1c(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)cnn1C 2282838504 PLBIMPLWNJXNPE-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)OC1(C)C 2284385379 QWSXGRIBZRVLSL-LPEHRKFASA-N 384.219 -0.927 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]2CN[C@H]1C2 2359274264 NQWWKZKZGCHAPE-GRYCIOLGSA-N 382.295 -0.252 30 10 GBEE CS(=O)(=O)OCCOCCOCCOCCOCCOS(C)(=O)=O 72400287 BGCFJPQXVQSYIS-UHFFFAOYSA-N 394.464 -0.995 30 10 GBEE in-vitro CN(C)c1nccc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)n1 410146053 SIWGSNIKAIRBOS-ZDUSSCGKSA-N 381.462 -0.866 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](COC)c2ccccc2)CC1 552541374 NDHUKFXZABXALW-KRWDZBQOSA-N 388.468 -0.063 30 10 GBEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 600019527 CEZKOZPLIHDMDK-GOSISDBHSA-N 390.444 -0.533 30 10 GBEE C#CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCS(=O)(=O)C1 729332141 KKKGNXOKACDGOC-CYBMUJFWSA-N 383.451 -0.867 30 10 GBEE C#CCN(C(=O)Cn1c(O)nc2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 729333908 BQKOVRGZBMJBFI-LBPRGKRZSA-N 375.406 -0.249 30 10 GBEE C#CCN(CC(=O)NCc1cc(C)nn1C)CC(=O)NCc1cc(C)nn1C 822784202 YFGVRFHTYZPSJW-UHFFFAOYSA-N 385.472 -0.362 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 873874813 BPWAVPJHQZSFBF-VXGBXAGGSA-N 376.379 -0.253 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(C)(=O)=O 917926122 VWQVXRRXXIPSGI-GFCCVEGCSA-N 391.492 -0.099 30 10 GBEE C=CCNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1267653767 COWLHZHYTOVEML-PAPYEOQZSA-N 380.445 -0.761 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CCOC)c1 1286361631 RPUQJXIKAZTHPC-ZDUSSCGKSA-N 395.489 -0.151 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1291913221 LGRRTEMYBVJMSF-PMPSAXMXSA-N 378.473 -0.399 30 10 GBEE CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1299297513 SJMCVPYMXDCVFK-UHFFFAOYSA-N 390.473 -0.271 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 1322692592 DXRXZUOWJBFZGB-WLNDITBYSA-N 376.413 -0.297 30 10 GBEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1326088149 QWYJETUHDDXABH-KRWDZBQOSA-N 393.421 -0.079 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1CCS(=O)(=O)C1 1342749378 PASNCXHQKLSUGV-HUUCEWRRSA-N 390.465 -0.575 30 10 GBEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1C(=O)CCC1=O 1347163958 FEPSVFAPGNMVAD-KBXIAJHMSA-N 375.425 -0.188 30 10 GBEE Cn1cc(-c2nn(C)cc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cn1 1348480462 HDNRPDZESWXTGO-UHFFFAOYSA-N 380.368 -0.348 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC)C1CCN(C)CC1 1351387253 LAALIXFGZOCHPP-DLBZAZTESA-N 381.473 -0.521 30 10 GBEE C#CCN1CCC[C@H]1c1nnc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)n1C 1519673492 KJQHXRROLLBPFX-WMLDXEAASA-N 379.486 -0.021 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)cc1 1522290703 WDIYTUGKABJDEQ-GOSISDBHSA-N 395.481 -0.330 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(COC)nnc3C2)c1 1632184814 QCFGNCVHJQROQV-UHFFFAOYSA-N 389.437 -0.008 30 10 GBEE COc1ccc(C(=O)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1648415998 RKMQGGOYAKDPFV-GUYCJALGSA-N 377.422 -0.178 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cc[nH]n1 1705541434 IXRAXKDPFXCUPN-LLVKDONJSA-N 394.461 -0.889 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1757672632 YZGQDJGVLIKCCS-TUVASFSCSA-N 392.456 -0.270 30 10 GBEE Cn1cc(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)c(=O)n(C)c1=O 1857216390 IHNTWQCEDSTTGT-KGLIPLIRSA-N 399.451 -0.302 30 10 GBEE COC(=O)C1CN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 2108037671 NYSVPVXXPKZKRT-LBPRGKRZSA-N 388.446 -0.219 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NOC2CNC2)OC1(C)C 2255794907 PZTJPKPOMUNCHQ-UHFFFAOYSA-N 375.281 -0.235 30 10 GBEE CN(CC[S@@](C)=O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267711830 QIWZZNHTPYZNAM-XMMPIXPASA-N 391.324 -0.282 30 10 GBEE CC(C)OC(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282333908 UZKRRRHZELOJRX-UHFFFAOYSA-N 387.267 -0.051 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H]2NCC[C@@H]21 2282350015 GZNMKIOFLZAICK-SDDRHHMPSA-N 382.295 -0.252 30 10 GBEE CC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H](O)CC 2282833400 WXMUZZJWWKMRRK-WDEREUQCSA-N 388.299 -0.058 30 10 GBEE CC1(C)OB(c2nc(=NC(=O)Cc3cc(O)nc(O)n3)s[nH]2)OC1(C)C 2283929543 LHAYFBJBCPXKHH-UHFFFAOYSA-N 379.207 -0.358 30 10 GBEE CN1C(=O)[C@@]2(CCN(/C(O)=N/[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)C2)N=C1O 329341492 OZXIYFMYQVHWMI-JUKMUDQWSA-N 389.416 -0.564 30 10 GBEE CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCOC[C@H](O)C1 349469444 WUHOFRHRAGVESP-OCCSQVGLSA-N 395.503 -0.989 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC([C@@H]3CCCN3)CC2)CC1 423034492 HWABRJIIPONFHS-KRWDZBQOSA-N 391.516 -0.577 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)O1 600041131 PHLMPBDTDTYHLW-RISCZKNCSA-N 398.379 -0.134 30 10 GBEE C#CCN(CCS(=O)(=O)CC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 808735856 CVEZVFKCUMZTPP-ZDUSSCGKSA-N 379.500 -0.135 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@]3(CCNC3)C2)CC1 887079290 NYFXWBPHHNBLLD-FQEVSTJZSA-N 391.516 -0.575 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 1116543823 DVIIFNBDPJOPFL-HNNXBMFYSA-N 391.428 -0.516 30 10 GBEE CS(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1125274570 SOYXLOHVUAVKSX-ZDUSSCGKSA-N 378.410 -0.076 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)S(N)(=O)=O)s1 1295172294 MVMAUXDAEQXBTQ-SECBINFHSA-N 381.501 -0.452 30 10 GBEE C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1320233844 XBKHQXWPMSPDAX-LLVKDONJSA-N 390.425 -0.031 30 10 GBEE COCCC1(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCC1 1323494225 ABIMMRYNQGVNFG-CCEZHUSRSA-N 378.429 -0.048 30 10 GBEE C#CCN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@H]1CCS(=O)(=O)C1 1324521579 HKZKJQPORUYXQF-ZDUSSCGKSA-N 388.449 -0.162 30 10 GBEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 1325389360 YTLRPZVCOWXRHN-HZPDHXFCSA-N 397.435 -0.559 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 1325828096 NCUSAVSTZDUYSQ-QGZVFWFLSA-N 398.463 -0.298 30 10 GBEE CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 1685998515 HBUIWRWVOODYAQ-SNPRPXQTSA-N 382.424 -0.021 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnc2ccnn12 1702986295 UCUJWTGHJALNOS-MCIONIFRSA-N 380.408 -0.270 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1740382194 RFPWQRWJXHUDRZ-GSQSTAHGSA-N 389.452 -0.575 30 10 GBEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCC#N)C1 2174740280 IGHDLRROCYGKMW-LBPRGKRZSA-N 381.433 -0.494 30 10 GBEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2281958023 CRIAFAVMYSFWLR-VIFPVBQESA-N 384.267 -0.723 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CONC3=O)cc2F)OC1(C)C 2282320868 OKSAHQOXGVBZRS-GFCCVEGCSA-N 386.210 -0.167 30 10 GBEE C[C@H]1CCOC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282323196 XDCBXLUSOKRHER-QWRGUYRKSA-N 386.283 -0.182 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@]3(O)CCOC3)c2)OC1(C)C 2282827930 GOZLZXZRAORGBN-INIZCTEOSA-N 384.263 -0.190 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2[C@H]3CN[C@H]2C3)n1 2282835344 SKUDXSPBJQKYIJ-WZRBSPASSA-N 382.295 -0.395 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)C(F)(F)F 2282858575 ZEFAGWSQGIYRGK-MRVPVSSYSA-N 399.200 -0.079 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](CCF)C(=O)O 2284406131 UMMYVNBAQOGCQT-JTQLQIEISA-N 391.230 -0.190 30 10 GBEE COC[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284412652 WVWAKUPWKGNBPR-GFCCVEGCSA-N 386.235 -0.241 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1 2358806869 VOCRNFGRGMKGEJ-IVDOMPFISA-N 381.429 -0.141 30 10 GBEE C/N=C(/NCCNC(=O)c1cnccn1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262579992 QBELTJWKPUWVMS-OAHLLOKOSA-N 389.460 -0.895 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CCO1 376700145 LYRPUJANXIVCFR-QLFBSQMISA-N 398.419 -0.227 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 484781466 CPDIYQKRYKGULY-UHFFFAOYSA-N 397.501 -0.665 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cn(C)nc2C)CC1 551840126 PZCVLGKDIBCGMR-CYBMUJFWSA-N 376.461 -0.648 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC 578372342 ZFUVXAVPJDEIRM-CHWSQXEVSA-N 398.489 -0.488 30 10 GBEE CC1(C)C(=O)NCCN1S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 582974915 GOAOAYZMXRQZFA-UHFFFAOYSA-N 386.455 -0.612 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1S(=O)(=O)CC1(C#N)CCC1 598621330 KPIPQEKRLARXKS-QWRGUYRKSA-N 384.414 -0.822 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCC(=O)NC2CC2)CC1 1117092761 QHYANZLYAHEDBX-UHFFFAOYSA-N 384.440 -0.223 30 10 GBEE C[C@@]1(C#N)CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CCO1 1157514816 FUGXKSLTIMEZAN-QGZVFWFLSA-N 394.453 -0.075 30 10 GBEE COc1ccc(CNC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1C#N 1262128082 SVRKLGRZKXFCDE-UHFFFAOYSA-N 380.426 -0.621 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)NC)CC1 1300700866 YHWQDMRULIAZSL-HNNXBMFYSA-N 396.517 -0.524 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1325535965 SVTPXXUYBNXTPY-DZGCQCFKSA-N 393.465 -0.025 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1327271747 FOHBTPDPWPNVNC-HUUCEWRRSA-N 397.497 -0.602 30 10 GBEE N#Cc1ccc(CNC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1F 1332265308 CLZFOBSWWXQOJT-KRWDZBQOSA-N 395.412 -0.270 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cccc(CC)c2)CC1 1334361031 RNIXADQMPLGZFV-UHFFFAOYSA-N 389.485 -0.127 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC[C@H]2CC2(F)F)CC1 1336154902 OPEIPJNVIXCHBK-NSHDSACASA-N 375.405 -0.692 30 10 GBEE N#Cc1ccc(C2(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CCOCC2)cc1 1438370226 XLYTYOOEGSCBFO-AWEZNQCLSA-N 377.422 -0.407 30 10 GBEE C=CCNC(=O)NC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1486352099 YYDDEONWNJUIIC-YJNKXOJESA-N 382.461 -0.683 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1490798239 LVMRQOBWZWZMKH-TUVASFSCSA-N 375.429 -0.742 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(CC)CCO1 1490810497 WVMFGEFYJICGQS-LVQVYYBASA-N 376.457 -0.905 30 10 GBEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)C1 1505315409 QGHSZOSEVRXBPZ-HWWQOWPSSA-N 396.448 -0.099 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1682674839 ZQALMHAOECZJKE-TUVASFSCSA-N 391.424 -0.322 30 10 GBEE CS(=O)(=O)CC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCC1 1683196667 OTFQWKKYJQCJGX-WFASDCNBSA-N 389.499 -0.219 30 10 GBEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCC(=O)NC 1705934625 RJYXNKGPFHRJSM-LBPRGKRZSA-N 398.489 -0.598 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1722413350 LQLSVMHKDRIMOP-GFCCVEGCSA-N 389.503 -0.811 30 10 GBEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)C1 1740963305 HCLPCAUWGNCISB-UHFFFAOYSA-N 386.460 -0.280 30 10 GBEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC#N)[C@H]2CS(=O)(=O)C[C@@H]21 2006290753 YFUNKKSGPXGNQC-QWRGUYRKSA-N 379.460 -0.442 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC4(C3)OC[C@H](O)[C@H]4O)cs2)OC1(C)C 2282202503 DSEOAFRCFZJIOE-WCQYABFASA-N 381.259 -0.006 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)C[C@@H](F)C1 2282320049 CGIUPIPXEBYOED-ZJUUUORDSA-N 390.246 -0.792 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)nc2)OC1(C)C 2282677265 WSADXDODBHWMGA-OLZOCXBDSA-N 382.247 -0.732 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(N)=O)CNC3)cc2)OC1(C)C 2282859772 QKECRHNAKXDLEO-UHFFFAOYSA-N 381.263 -0.909 30 10 GBEE C[C@@H](F)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284415088 VPKIOROWGCBVKM-PSASIEDQSA-N 391.230 -0.191 30 10 GBEE COC(=O)[C@@H](O)C1CCN(CC#CCN2CCC([C@H](O)C(=O)OC)CC2)CC1 472568493 FVJVHNQFZNJXKO-ROUUACIJSA-N 396.484 -0.518 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(CC#N)CC2)c1 515432955 NINYCWDZADDYMI-ZDUSSCGKSA-N 397.482 -0.293 30 10 GBEE COCCO[C@H]1COCC[C@@H]1NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 527861799 CRGJPAIAKIJUKS-KBPBESRZSA-N 393.400 -0.793 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCc3c(O)cccc32)CC1 553031783 BMYKEXWAHAESPP-MRXNPFEDSA-N 386.452 -0.058 30 10 GBEE Cn1[nH]cnc1=NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(C)(C#N)C2)c1 572257313 MCBRFCRIZLYHQA-UHFFFAOYSA-N 396.454 -0.428 30 10 GBEE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C#N 599506740 KCVMXGCGDVKUAE-LBPRGKRZSA-N 377.419 -0.364 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCn2cncn2)CC1 608842927 BADUUKMVLKQUQN-UHFFFAOYSA-N 389.441 -0.134 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 685550838 CUMWCGQIYPYATD-QWHCGFSZSA-N 398.489 -0.536 30 10 GBEE C=CCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1[C@]1(C)C[C@H](O)CN1C 1121606912 FHZIVYLTQFZQCV-ZQIUZPCESA-N 398.533 -0.154 30 10 GBEE CCN1C(=O)[C@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CCN2C1=O 1137227172 WDEAFVKRHPHCOU-BFWGRDPESA-N 375.385 -0.602 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1[nH]cnc1Br 1185675715 VEPQOSTZLJOARI-MRVPVSSYSA-N 382.261 -0.017 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N(C)C)[C@H](c2cnn(C)c2)C1 1264502715 QFYGMZFIVBXXAZ-TWMKSMIVSA-N 375.473 -0.017 30 10 GBEE CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1297704147 DFUVTCCJIRNDQR-VXGBXAGGSA-N 382.446 -0.607 30 10 GBEE CC(C)(C)CN(CCCO)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1323419418 IASVBPVTBQJIDX-CCEZHUSRSA-N 380.445 -0.114 30 10 GBEE C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 1349520523 RJDSCTAVKAHEEH-SPYBWZPUSA-N 379.457 -0.019 30 10 GBEE COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1464123931 NFEYZWRXGUWSMY-ZDUSSCGKSA-N 397.384 -0.373 30 10 GBEE C=CCNC(=O)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1540876517 UGVKSPHIYKEYNG-UGSOOPFHSA-N 392.460 -0.456 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1587990591 YXHKJXWIBYWAEG-ZDUSSCGKSA-N 388.453 -0.208 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(CCOC)c(C)cc2=O)CC1 1588199737 XQOWFDZYGYHFCH-UHFFFAOYSA-N 396.469 -0.971 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(NS(C)(=O)=O)C2)s1 1633136225 XOWYYNIZAQDPSL-UHFFFAOYSA-N 393.512 -0.485 30 10 GBEE 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C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1588574607 NZNPUZQZDKDMFH-LBPRGKRZSA-N 396.477 -0.849 30 10 GBEE CN(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1617700207 XXNYUZBINIMBRE-KGLIPLIRSA-N 377.449 -0.464 30 10 GBEE O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCc1ccc(C(=O)NO)cc1 1634100360 WLWIYKIYWPERFL-VDERGJSUSA-N 387.392 -0.026 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1C 1685788956 RSKUUFXKTMCDRW-TUVASFSCSA-N 387.502 -0.320 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760523377 WKTDQJWDYRNMPL-ZDUSSCGKSA-N 393.473 -0.396 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1760688083 AFGJZCKWIKTAPV-AGIUHOORSA-N 386.478 -0.100 30 10 GBEE CN(c1nccn1C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282297988 PINUUANFVHFQLS-UHFFFAOYSA-N 382.255 -0.327 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CO 2282850380 OGNOIYLCGXQLLP-QJPTWQEYSA-N 383.279 -0.279 30 10 GBEE 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CC1(C)OB(c2cccc(CS(=O)(=O)N3C[C@@H](O)[C@H](O)C3)c2)OC1(C)C 2282496615 DQESEYZJBOMZQJ-HUUCEWRRSA-N 383.275 -0.147 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]2N 2282841332 NLMQEFLSFRQVQQ-OUAUKWLOSA-N 383.283 -0.776 30 10 GBEE Cn1nnnc1CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282845034 MDILZFPGCXUGSA-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1[C@H]2CCCN[C@@H]21 2282863283 PLHDEYYMWKBQEG-LEWSCRJBSA-N 382.295 -0.252 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC=C[C@H]1C(=O)O 2284414729 JIKIXBXMLFYINS-VIFPVBQESA-N 384.223 -0.872 30 10 GBEE CC1(C)OB(c2cnc(S(=O)(=O)C[C@H]3CCN(CCN)C3)nc2)OC1(C)C 204881463 NNIVJWZGJIFGRF-ZDUSSCGKSA-N 396.322 -0.170 30 10 GBEE COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)ccc1O 254744842 FWYPAPOXJMHUDY-UHFFFAOYSA-N 388.384 -0.414 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCO[C@@H]2C(=C)C)CC1 430401452 KMFXWUKDUCLAGE-NVXWUHKLSA-N 378.473 -0.470 30 10 GBEE CO[C@H](CS(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)[C@H]1CCOC1 594723026 JJJDZBQBNMFDBH-WCQYABFASA-N 385.446 -0.089 30 10 GBEE COC[C@]1(C)CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCO1 599393398 HPMYVRXSCYGZBF-IBGZPJMESA-N 387.440 -0.134 30 10 GBEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)C1 600104160 ZBRAWQWWGKNAEI-LBPRGKRZSA-N 379.442 -0.012 30 10 GBEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 627470687 XEAPVHZLCNLSGW-ZDUSSCGKSA-N 385.442 -0.397 30 10 GBEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)[C@@H]1CCS(=O)(=O)C1 746150805 CASVDVWEMOSCHE-GFCCVEGCSA-N 387.483 -0.036 30 10 GBEE CC#CCS(=O)(=O)NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 810775674 PIRWCNHGKYBKGL-UHFFFAOYSA-N 378.410 -0.723 30 10 GBEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 848133119 ZSGZBALRYPRMHF-MPZDIEGVSA-N 382.417 -0.605 30 10 GBEE CNCCOCCN(C)C(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1118901688 BPOBQIWUMOPPCG-CQSZACIVSA-N 389.460 -0.920 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CC1 1175515392 ZRXYRKMRCFOTRV-LBPRGKRZSA-N 392.437 -0.369 30 10 GBEE C#CCOCCC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1291697329 WFEAWCDDKQWNLC-BCDMZGRMSA-N 399.451 -0.259 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1323475574 LABLKFIASBFWDY-DOMZBBRYSA-N 394.497 -0.267 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1326714743 PHWAHPQLUUKPNE-GJZGRUSLSA-N 395.456 -0.388 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC(C)(C)C(C)(F)F)CC1 1355999585 XQHSVFFTKALKCY-UHFFFAOYSA-N 391.448 -0.056 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1359473630 FRRMPEYRTXYQOS-RYUDHWBXSA-N 378.462 -0.047 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 1443358691 SPPGZJNWCGFFHL-UHFFFAOYSA-N 381.436 -0.320 30 10 GBEE COC1(OC)CCOC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1470328331 UEZHVSMEBHYYOE-AWEZNQCLSA-N 383.426 -0.269 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 1508085903 ILTFIQVOUJTCET-NWDGAFQWSA-N 375.433 -0.767 30 10 GBEE C[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)COCCO1 1542019449 QCMHNLKNAFBZGV-RDTXWAMCSA-N 390.444 -0.065 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC[C@@H]1NC(=O)NC1=O 1588224310 WAQWCWOHDDKNEE-KBPBESRZSA-N 397.439 -0.320 30 10 GBEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618180445 IFIMAFIKUJPVHI-CQSZACIVSA-N 382.428 -0.606 30 10 GBEE C#CCN1CCN(C(=O)CN2CCC(C(=O)OCC)([S@](C)=O)CC2)CC1 1645698325 QPXHRBSCQJEAGA-SANMLTNESA-N 383.514 -0.460 30 10 GBEE N#CCNC(=O)CN1CCN(CCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1713069451 LLZYALRYNXPYDM-XYJFISCASA-N 377.489 -0.435 30 10 GBEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCC(=O)N(C)C 1722427869 SFRPMLXWQAEPLN-UHFFFAOYSA-N 376.461 -0.035 30 10 GBEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1741803089 NKUOUCARDYTVQN-NWDGAFQWSA-N 383.478 -0.093 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc[nH]cc1C#N)C1CS(=O)(=O)C1 1890757450 YJXNJIFFFYXKCT-LLVKDONJSA-N 381.414 -0.353 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCCO 2267371936 HLVHBZNFLQAZRJ-UHFFFAOYSA-N 375.256 -0.994 30 10 GBEE CNCC[C@@H](C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282315864 UIEVEUHNNZLBOY-LLVKDONJSA-N 387.315 -0.267 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1nnc(CO)s1 2282484350 CGNANRNIXVVKOB-UHFFFAOYSA-N 379.251 -0.007 30 10 GBEE Cc1nc(S(=O)(=O)NC2(CN)COC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508120 RCWNJLXJVQXODA-UHFFFAOYSA-N 386.283 -0.966 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CCOC[C@@H]2[C@H](O)CO)OC1(C)C 2282515823 WSJQHRFPHCNYOG-VXGBXAGGSA-N 384.263 -0.364 30 10 GBEE Cn1nc(C(=O)N2CC(O)(C(N)=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282544423 DGVGDKDWUHJOAD-UHFFFAOYSA-N 384.629 -0.955 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2COCC[C@@H]2N)n1 2282841193 MJYFTYZPLLAEOC-NWDGAFQWSA-N 386.283 -0.886 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2[C@H](O)C[C@H]21 2282849775 GVQSVCVYAVTNNN-CYZMBNFOSA-N 383.279 -0.137 30 10 GBEE Cc1nc(S(=O)(=O)NO[C@@H](C)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284396045 AWXPVQMRPNUJAR-QMMMGPOBSA-N 389.239 -0.289 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](CO)C(=O)O)ccc2F)OC1(C)C 2284398657 AEVIRJFWSWRNFV-GFCCVEGCSA-N 389.210 -0.151 30 10 GBEE Cn1nc(C(=O)NC[C@](C)(O)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284455282 IQAZBJBHBNFQKW-HNNXBMFYSA-N 387.629 -0.062 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC([C@@H](O)CO)C3)c2)OC1(C)C 2361912437 YTOMYOUQKRTEBY-HNNXBMFYSA-N 383.275 -0.041 30 10 GBEE CC1(C)OB(c2cnc(N[C@@H]3CCCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204872770 IYJYZZJCKBTHIR-ZIAGYGMSSA-N 392.265 -0.468 30 10 GBEE CCN1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 297882039 PSJTXQRSDWBRLL-UHFFFAOYSA-N 384.440 -0.317 30 10 GBEE CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 349452448 AUKKATAXYPAUBG-ICKCXYDZSA-N 397.544 -0.621 30 10 GBEE N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)CCN1C1CC1 372191341 LAKVYIVCPKKKTE-AWEZNQCLSA-N 378.458 -0.258 30 10 GBEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 466984144 YDRVFFNIPAVMCH-NSHDSACASA-N 393.429 -0.151 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 659736362 OCBLZSWLXIHDAF-HZPDHXFCSA-N 380.489 -0.198 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)CC1 787878885 CBNHISTWVMGSJD-CHWSQXEVSA-N 380.445 -0.386 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(CC(F)(F)F)C(=O)C1 806779672 BUGAGOKLRLWPCH-SEYXRHQNSA-N 389.334 -0.071 30 10 GBEE C#CCN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 932709119 VMZWLADPXMABGS-CQSZACIVSA-N 385.486 -0.202 30 10 GBEE N#Cc1ccc([C@H]2CN(C(=O)NCCOCCS(N)(=O)=O)CCO2)cc1 1312832800 GFQCFVUJISYFJV-OAHLLOKOSA-N 382.442 -0.054 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1)C1CCN(C)CC1 1338227519 DLCFMXXVLXLMCM-IBGZPJMESA-N 395.525 -0.030 30 10 GBEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCC(NC(=O)COC)CC1 1338773425 PCEOPEHPCZIKGB-LSDHHAIUSA-N 378.477 -0.067 30 10 GBEE C=CCn1c([C@H](O)C=C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1340688288 TZOMYVTYAVNVRD-OAHLLOKOSA-N 376.461 -0.336 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc2n1CCC2 1359023391 JCVGQZAFIGGKIB-CYBMUJFWSA-N 384.444 -0.099 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1522307611 FQDDYKAAVHHZMK-MCIONIFRSA-N 378.429 -0.279 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C3(O)CCOCC3)CC2)cc1 1559639799 BTAIQXXCHAWERN-KRWDZBQOSA-N 395.481 -0.233 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1611711520 PIUSUTDNTSZNBU-MJBXVCDLSA-N 396.473 -0.038 30 10 GBEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCNC(=O)CO)cc1 1626004507 RYIMQUGEBGOTQA-RGEXLXHISA-N 382.442 -0.064 30 10 GBEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cnn1CCC#N 1634020005 NHOCEBCCVSBZOC-UHFFFAOYSA-N 377.430 -0.025 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC(N2CCN(C)CC2)C1)c1cc[nH]n1 1639827139 HSIAJMJELPEXOR-UHFFFAOYSA-N 378.433 -0.848 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 1640327173 XSRPRGSQKLNPOR-UHFFFAOYSA-N 397.413 -0.326 30 10 GBEE CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCN2CCO[C@H]1C2)c1cc[nH]n1 1772995568 PWUSTPMBGDYOCW-KBPBESRZSA-N 379.417 -0.375 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)Cn2cccn2)C1=O 1857154449 ZTCKFAVNSCJQAQ-HNNXBMFYSA-N 380.412 -0.507 30 10 GBEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCO)CC1 1869930029 RJAVKLDHCUQISI-AWEZNQCLSA-N 380.470 -0.360 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[S@@](C)=O)n1 2255796414 QKVXOQQTGIFHNL-HSZRJFAPSA-N 377.297 -0.624 30 10 GBEE Cn1nnc(CNS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)n1 2282353754 JHWFQBFOXUPKPN-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1CNC[C@H]1O 2282511135 KBUNOWIEZQNOLW-UONOGXRCSA-N 382.291 -0.095 30 10 GBEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCNS(N)(=O)=O 2282679702 DCMNLEMSIYODIL-UHFFFAOYSA-N 386.283 -0.670 30 10 GBEE COC[C@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282848322 MEOOMLQMLXDHEI-OAHLLOKOSA-N 389.283 -0.605 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2NCC[C@@H]21 2282860819 GVDHITFFUBUJPW-GARJFASQSA-N 383.283 -0.857 30 10 GBEE C[C@@H]1C[C@@H](CO)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282864994 NUBQNTLPUOEMNH-GHMZBOCLSA-N 386.283 -0.494 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)NCCCNS(C)(=O)=O)OC1(C)C 2283057854 CAENOWOUCOJBKI-UHFFFAOYSA-N 384.267 -0.555 30 10 GBEE C=C(CS(=O)(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284401877 FDQOTRCKMNJXOU-SDDRHHMPSA-N 391.251 -0.616 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)O 2284402923 PKRVSGRDVUDIKI-ZJUUUORDSA-N 385.251 -0.139 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H](CO)C(=O)O)OC1(C)C 2284409348 HZGHGGTUFZQERA-ZDUSSCGKSA-N 385.247 -0.149 30 10 GBEE Cn1cc(C=C2CCCC(=Cc3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 2296837723 DOWSQSVCTQFNAN-UHFFFAOYSA-N 398.419 -0.299 30 10 GBEE CNS(=O)(=O)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362356786 JHRGJCJKCBRSGG-UHFFFAOYSA-N 384.267 -0.907 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cn1 263760872 YSIWTUQEXRHXAP-UHFFFAOYSA-N 379.442 -0.882 30 10 GBEE N#Cc1cncc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 289362222 AJVGNVQOVDIZOB-UHFFFAOYSA-N 379.442 -0.882 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CCN1C1CC1 362382410 VMUGUJMVFGPFQA-INIZCTEOSA-N 379.424 0.464 30 10 GBEE Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ncc1C#N 457436814 OGSBRRXPUITRHE-UHFFFAOYSA-N 392.485 -0.488 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463351854 QKMXLCZUAADDKA-SRABZTEZSA-N 395.419 -0.236 30 10 GBEE N#CCNC(=O)CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 511917110 RSHVSXLYCYXFGL-JKSUJKDBSA-N 384.440 -0.476 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCN2CCC(C)CC2)CC1 559463277 ZCCULLUXQJFIAE-UHFFFAOYSA-N 393.532 -0.329 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1 667040437 HRMUOAJOFUZXSI-INIZCTEOSA-N 392.504 -0.094 30 10 GBEE Cn1cc(S(=O)(=O)NN=C2CCCc3cc(C#N)cnc32)c(=O)n(C)c1=O 788437601 UPUUAUQMTKSPNB-UHFFFAOYSA-N 388.409 -0.630 30 10 GBEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)CC1 798741628 UZYAIACOTCQXPR-NWDGAFQWSA-N 378.389 -0.057 30 10 GBEE COc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(O)C2=O)cc1OC 816690103 ISMFUWZMCWVNJY-NSHDSACASA-N 387.414 -0.522 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 873874810 BPWAVPJHQZSFBF-NEPJUHHUSA-N 376.379 -0.253 30 10 GBEE CCS(=O)(=O)N1CCC[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1116031812 IEWYBLLUBLLHNR-ZLUHGAPXSA-N 384.458 -0.309 30 10 GBEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC(N)=O)C1 1118874027 XRDQTSGGHDBENX-NEPJUHHUSA-N 386.478 -0.455 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1)C1CCN(C)CC1 1120501228 UFHPHFPSVNEGAV-OAHLLOKOSA-N 377.489 -0.195 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOC 1122425028 LGEUPBCHCKKSRT-LSDHHAIUSA-N 378.477 -0.113 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCNC(=O)NC)nn1 1292088907 SMJYCKFFRZOYEQ-BZPMIXESSA-N 375.433 -0.355 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1321547829 XJVCJBCHFOOMJX-XJKSGUPXSA-N 387.527 -0.811 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1321600296 KEALIHOMQJWHBM-CQSZACIVSA-N 392.433 -0.277 30 10 GBEE C#CCN(CC(=O)N[C@@H]1CCn2ccnc21)CC(=O)N[C@@H]1CCn2ccnc21 1332471031 UEZBABWYGDJKFB-HUUCEWRRSA-N 381.440 -0.163 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CCC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1348585757 RWSHFSCZSINTEJ-LSDHHAIUSA-N 382.482 -0.042 30 10 GBEE C#CCN(C(=O)[C@@H]1CCCNC1=O)C1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1348998025 OHHZHNNPJAICKD-JKSUJKDBSA-N 388.468 -0.508 30 10 GBEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359121751 HFFCQSBFXCAUMP-OLZOCXBDSA-N 380.474 -0.030 30 10 GBEE Cn1c(=O)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)n(C)c2n(C)c1=O 1448502260 LDMFSILYNYREFU-UHFFFAOYSA-N 385.380 -0.375 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC[C@H]1C=NNC1=O 1585933977 PCHVZGGKLSGIHU-NSHDSACASA-N 377.426 -0.257 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 1586538438 HXXXZXAPKTYNGB-KEYYUXOJSA-N 393.513 -0.024 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 1648401684 AGWNWDGYACCXPI-SJORKVTESA-N 392.481 -0.106 30 10 GBEE C=CCNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1725700337 OZFNUDFXHDVUIB-RZLSGREXSA-N 382.461 -0.778 30 10 GBEE C=CCNC(=O)NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCO1 1733742763 PWEAOVWIHNUEOT-BARDWOONSA-N 380.445 -0.617 30 10 GBEE CN(C[C@@H]1CC(=O)N(C(=O)c2ccn(C)n2)C1)C1CN(c2nccnc2C#N)C1 1856232011 HNYVLPDAUIEQJB-ZDUSSCGKSA-N 394.439 -0.109 30 10 GBEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 2074723774 ZSUPMBUMPDXKBQ-SCZZXKLOSA-N 375.447 0.000 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2267294087 ZFYMEIJQFCKEAD-GHMZBOCLSA-N 387.288 -0.065 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H](O)[C@H](O)C2)OC1(C)C 2267469452 VVCYSKHYDBVEKU-GHMZBOCLSA-N 390.292 -0.691 30 10 GBEE CCC[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(N)=O 2282312596 YQJBWLQKLDKELJ-SECBINFHSA-N 387.271 -0.953 30 10 GBEE C#CCOCCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282315638 QLIILCQIFJPSPO-UHFFFAOYSA-N 384.267 -0.568 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCC3(O)CC(N)C3)c2)OC1(C)C 2282414313 QUMKKPHBNOHMQM-UHFFFAOYSA-N 383.279 -0.489 30 10 GBEE CN(C)CCCONS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282496661 FOIDHKQLSZIROV-UHFFFAOYSA-N 388.299 -0.119 30 10 GBEE Cc1nc(C(=O)NC[C@@H]2NC[C@@H](O)[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282514224 ADYWTVRMSYQXBC-HOSYDEDBSA-N 383.279 -0.826 30 10 GBEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)CC1 2282596498 BUILHBQNZAKIKJ-UHFFFAOYSA-N 383.279 -0.102 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCO)C(C)(C)C 2282830993 CWHBHJJFWGWNFQ-UHFFFAOYSA-N 388.299 -0.104 30 10 GBEE Cc1nc(S(=O)(=O)NCC(F)(F)CN)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873560 NELATBPDQMZOKP-UHFFFAOYSA-N 394.253 -0.100 30 10 GBEE COc1ccc(C=NNc2nc3c(c(O)nc(=O)n3C)n2C[C@@H](O)CO)cc1 254817419 WBMPULPUKRXAPR-LLVKDONJSA-N 388.384 -0.357 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@@H](CC(N)=O)C3)CC2)cc1 599386552 OHADJNNXFSGWAB-KRWDZBQOSA-N 399.451 -0.695 30 10 GBEE C[C@@H]1CN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)N1CC#N 915670077 ZOCTXDVETILBSG-HUUCEWRRSA-N 386.522 -0.809 30 10 GBEE C#CCOCCNC(=O)C(=O)NC[C@H](Cc1ccc(F)cc1C)C(=O)NC 1118152137 VFZFHTAVDXDIEO-HNNXBMFYSA-N 377.416 -0.079 30 10 GBEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134052394 CXJWVPKQKPUKOH-BBRMVZONSA-N 397.478 -0.053 30 10 GBEE C[C@H](O)[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1168763714 DJKXFKWGNHUKIS-BLLLJJGKSA-N 381.454 -0.183 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2ncn(C)c2=O)C1 1282138322 LQLWRNOBVRQYJM-JJXSEGSLSA-N 391.472 -0.036 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1 1286818718 NAOIVSDWHMLVDK-UHFFFAOYSA-N 391.457 -0.386 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1nc2ncccn2n1 1291865466 IJYVVXGXVJRSPN-KBXIAJHMSA-N 382.424 -0.047 30 10 GBEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301520500 ZFTZPXSTZDIFIK-AWEZNQCLSA-N 380.449 -0.542 30 10 GBEE COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1324838401 SHYZLBCXAJWBOO-ZDUSSCGKSA-N 388.428 -0.730 30 10 GBEE CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1325190498 UCZOXFBEJUYZJD-ZDUSSCGKSA-N 388.409 -0.277 30 10 GBEE C#CCN(C(=O)C(=O)NC1CCN(C(=O)OCC)CC1)[C@@H]1CCS(=O)(=O)C1 1325373704 FUSUGSVIWFGDMI-CQSZACIVSA-N 399.469 -0.628 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1326509986 MAXPLEZPPFMYAL-HUUCEWRRSA-N 379.438 -0.304 30 10 GBEE C#CCN(C(=O)[C@H]1CCCC(=O)N1)C1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 1329902105 UIIATXSNAYGSBY-HZPDHXFCSA-N 388.468 -0.223 30 10 GBEE N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)CC1 1331372514 ZHGUVZUEBCQCIH-MRXNPFEDSA-N 399.451 -0.300 30 10 GBEE C#CCN(c1nnc(C[C@H]2SCCNC2=O)n1C)[C@H]1CCS(=O)(=O)C1 1338475381 JKWBJODXOAWQOZ-NWDGAFQWSA-N 383.499 -0.784 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c1 1349486045 RUPDFBPAINTBHO-SFHVURJKSA-N 395.481 -0.330 30 10 GBEE N#Cc1cncc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1473267151 MBBBHIDNQWFSLN-HNNXBMFYSA-N 384.483 -0.412 30 10 GBEE N#Cc1ccccc1N1CCN(C(=O)NCc2nnc3n2CCNC3=O)CC1 1479191230 NYIJUUWVYNUUDP-UHFFFAOYSA-N 380.412 -0.075 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCNC(=O)c1cc[nH]n1 1507648866 UDOBATSSEGPCRX-UHFFFAOYSA-N 375.396 -0.039 30 10 GBEE C[C@@H](CC(=O)N[C@@H]1CCN(O)C1=O)NS(=O)(=O)c1cccnc1Cl 1637457687 CLJAZAZQPIEFFE-DTWKUNHWSA-N 376.822 -0.102 30 10 GBEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1 1682373004 COGIOSUBGBPPFL-UHFFFAOYSA-N 394.457 -0.934 30 10 GBEE C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1c1cnn(C)c1 1691279771 CNADMDYLCWYZJN-NRSFXHEJSA-N 386.500 -0.606 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1740295965 COKWWPKWPZFZLY-WCVJEAGWSA-N 378.473 -0.400 30 10 GBEE CCN(CC)CC#CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C 1889483919 AUIOSLMRSBGMIO-UHFFFAOYSA-N 392.481 -0.139 30 10 GBEE COC(=O)CCN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282342287 FSBNMJLVHSAVAS-UHFFFAOYSA-N 387.267 -0.097 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]12CNC[C@@H]1C2 2282351552 CAIWNOREMWRFFX-ZBEGNZNMSA-N 382.295 -0.393 30 10 GBEE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282546574 MQHNAVQQPZCEOI-JQWIXIFHSA-N 383.279 -0.118 30 10 GBEE CNC(=O)[C@H]1CNCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282609193 FJJASXKGHGBGLX-LLVKDONJSA-N 380.279 -0.398 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@H]3CNC[C@@H]3O)c2)OC1(C)C 2282842643 AXNUPHLOGMUNCN-GJZGRUSLSA-N 382.291 -0.262 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2NCC[C@H]21 2282860822 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30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(c2nncn2C)CC1 594474946 MBFHZEVDFJABOL-UHFFFAOYSA-N 390.425 -0.016 30 10 GBEE C=C[C@](C)(O)C(=O)N1CCC(C(=O)N2CCN(C(=O)[C@](C)(O)C=C)CC2)CC1 621887919 RVIJKFZBDMZQRX-VQTJNVASSA-N 393.484 -0.230 30 10 GBEE N#CCC(=O)N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 860100797 ZEAZACJYVHFLEE-UHFFFAOYSA-N 386.408 -0.046 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC[C@@](OC)(C(=O)OC)C1)c1cc[nH]n1 862743456 KIEYKQOVNNLJLO-INIZCTEOSA-N 382.373 -0.516 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 875608919 ZTKCHXVMJYIKOK-KRWDZBQOSA-N 392.500 -0.312 30 10 GBEE CN(CC(=O)Nc1nc2n(c1C#N)CCOC2)S(=O)(=O)c1cccnc1 1135006254 QOSHGIVEMHUBIG-UHFFFAOYSA-N 376.398 -0.061 30 10 GBEE C=CCOCC(=O)N1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1282598477 LHRCHJXMWHQCFF-XZDPQHSOSA-N 377.441 -0.316 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1286407399 KLCFOGROAQEGOQ-UONOGXRCSA-N 375.454 -0.263 30 10 GBEE 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C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1574294065 MEEBHNVDCURAID-OWYFMNJBSA-N 392.456 -0.922 30 10 GBEE CCc1cc(N2CCC[C@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C2)ncn1 1627388490 IAIIQMPKGOHJSM-AWEZNQCLSA-N 383.412 -0.042 30 10 GBEE CCOC(=O)[C@H]1CCCN(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1628386602 XGCLPEKTEUXVEM-WPCFGXOUSA-N 378.429 -0.096 30 10 GBEE N#C[C@@]12CN(C(=O)c3cc(N4CCOCC4)ccn3)C[C@H]1CS(=O)(=O)C2 1645267577 HYHZXANYZWDLJS-GUYCJALGSA-N 376.438 -0.071 30 10 GBEE N#C[C@@]12CN(C(=O)c3cc(N4CCOCC4)ncn3)C[C@H]1CS(=O)(=O)C2 1652521683 VHCOBKBFZSASIT-LRDDRELGSA-N 377.426 -0.676 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690669562 ISWGDUYEIKLCEF-STQMWFEESA-N 389.460 -0.377 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1703005693 AYWKJGLFPLJWMO-NGFQHRJXSA-N 377.445 -0.271 30 10 GBEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CS(=O)(=O)CN3C(C)=O)C2)CC1 1855016165 SMKFWFJJDRIFLG-CVEARBPZSA-N 397.497 -0.138 30 10 GBEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CS(=O)(=O)CN3C(C)=O)C2)CC1 1855016168 SMKFWFJJDRIFLG-JKSUJKDBSA-N 397.497 -0.138 30 10 GBEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)CCn3cncn3)C2=O)CC1 1857082566 RKFILCNSVRQDRG-MRXNPFEDSA-N 394.439 -0.115 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)Cn2cccn2)C1=O 1857154450 ZTCKFAVNSCJQAQ-OAHLLOKOSA-N 380.412 -0.507 30 10 GBEE C#CCNC(=O)[C@H](C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019016370 DWUTVJPYGIJKIG-JSGCOSHPSA-N 396.421 -0.081 30 10 GBEE C#CCOCCOCCNC(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2189867439 NGUQIJVMDMCWAJ-ILXRZTDVSA-N 386.445 -0.500 30 10 GBEE COC[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282304098 GFUVMIHLRXVQQH-NSHDSACASA-N 386.283 -0.229 30 10 GBEE C[C@@H]([C@@H](C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282616288 ZJKSIQXLDWAHND-ZJUUUORDSA-N 386.283 -0.334 30 10 GBEE C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282840632 ORZDKSPAXKHAHN-QWRGUYRKSA-N 385.299 -0.609 30 10 GBEE C[C@H]1CNC(=O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282861031 JNBVVGJIRINCLJ-JTQLQIEISA-N 384.267 -0.772 30 10 GBEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1ncc[nH]1 2282868649 QKZIKCQHYWEALO-SECBINFHSA-N 382.255 -0.123 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1C[C@H]1C(=O)O 2284410922 FLGGWEBPOCIFDR-DTWKUNHWSA-N 386.239 -0.887 30 10 GBEE CC/N=C(/NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](N2CCOCC2)C1 262487599 SXKPCCSSTPOSHQ-GOSISDBHSA-N 380.537 -0.478 30 10 GBEE Cc1cnn(CC/N=C(/O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 329577378 SSPGYPNNMDMINA-UHFFFAOYSA-N 386.478 -0.700 30 10 GBEE Cn1cc(C#N)c(=O)n(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1=O 372368939 WQBAQHFXKFIWKD-UHFFFAOYSA-N 395.419 -0.160 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)C(=O)C3)CC2)n1 410602457 LQIMTZNCUKSQQI-UHFFFAOYSA-N 382.424 -0.565 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)n3C)CC2)CC1 448678245 UBKMHCBVINQXPN-UHFFFAOYSA-N 380.474 -0.853 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1 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30 10 GBEE C#CCNC(=O)C1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC1 1229979513 LACAAXJDKSRCJI-UHFFFAOYSA-N 375.433 -0.672 30 10 GBEE Cn1cc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1327077091 GZPYIXBMXOWSCT-QGZVFWFLSA-N 394.435 -0.132 30 10 GBEE CNCCOCCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1329094862 PWRRMXOZHHMDQH-UHFFFAOYSA-N 377.420 -0.302 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1332676106 NTRBQJCFJNJXLB-GDBMZVCRSA-N 393.465 -0.057 30 10 GBEE C#Cc1ccc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c(Cl)c1 1336855642 DQVXZPVJYANPPS-UHFFFAOYSA-N 384.845 -0.133 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@H]([C@H]4CCOC4)C3)C2)c(=O)nc1O 1348209706 AJUDRPBXEOPSIY-RYUDHWBXSA-N 387.396 -0.911 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1351563360 XBIPBYYITCWYRZ-KBPBESRZSA-N 384.506 -0.015 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)COCc3ncnn3C)C[C@H]21 1489672341 KVUCRHFAKFGWDS-FPCVCCKLSA-N 389.456 -0.018 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1513046920 JRLOWZYXRCINKE-KKOKHZNYSA-N 393.362 -0.666 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2([C@H]3CCCCO3)CCCO2)CC1 1528712569 KRKALIWLYJZAOD-WBVHZDCISA-N 385.486 -0.284 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1541678918 MFERWCHAAMCTIM-CQSZACIVSA-N 379.465 -0.277 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2CCNC(=O)C2)s1 1567459169 YPSYPUBUGFIJJW-UHFFFAOYSA-N 386.499 -0.697 30 10 GBEE C#CCCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 1584028097 MCKWMRWHAQACMK-HIFRSBDPSA-N 385.511 -0.057 30 10 GBEE CN(C)CCNC(=O)C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1620567701 KCWVQRHGFDSLGL-ZPHPHTNESA-N 391.472 -0.181 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)c1 1648703555 FQFBXANWQXTRAS-DLBZAZTESA-N 389.433 -0.183 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNS(C)(=O)=O 1686259975 ZHEKTTSTLXFKOM-ZSAUSMIDSA-N 385.486 -0.235 30 10 GBEE 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C#CCN1CCCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1586493704 CRPDQGPHNRNADR-DZGCQCFKSA-N 385.511 -0.057 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 1588812961 VFYDJDCFXYJGQE-OAHLLOKOSA-N 396.517 -0.524 30 10 GBEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595789212 PMTTZVBUGVXCTM-CYBMUJFWSA-N 380.474 -0.030 30 10 GBEE O=C1C=COC2(CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)C1 1598208126 HNXLUIDNNRAOJE-ZIAGYGMSSA-N 396.465 -0.114 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)cc1 1637197188 VMZLCZZNJZPPKS-QGZVFWFLSA-N 389.437 -0.531 30 10 GBEE N#C[C@]12CN(C(=O)c3cc(N4CCOCC4)ncn3)C[C@H]1CS(=O)(=O)C2 1639822181 VHCOBKBFZSASIT-BLLLJJGKSA-N 377.426 -0.676 30 10 GBEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1689943730 AOEBESVVQPPVIR-UHFFFAOYSA-N 383.412 -0.146 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690668847 LPBGPSOHSYLYFB-HNNXBMFYSA-N 386.460 -0.498 30 10 GBEE 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384.311 -0.003 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCC[C@H]1O 2282846475 KKIKIHIDUAYPPA-WDEREUQCSA-N 386.283 -0.446 30 10 GBEE C[C@H]1C[C@H](CO)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282864996 NUBQNTLPUOEMNH-QWRGUYRKSA-N 386.283 -0.494 30 10 GBEE C[C@H](F)[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399461 KQUOTPDMJKJWJA-WCBMZHEXSA-N 391.230 -0.191 30 10 GBEE C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H](N2CCOCC2)C1 261730844 YCXIYLOXYNPELT-MRXNPFEDSA-N 387.550 -0.360 30 10 GBEE COCCN1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 297973823 XWVLRSBUARWMQX-UHFFFAOYSA-N 386.456 -0.608 30 10 GBEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)n[nH]1 440757118 HGYORXNEWNYONQ-UHFFFAOYSA-N 385.432 0.045 30 10 GBEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 592313112 JOIMEZSBOPPORK-AWEZNQCLSA-N 386.334 0.262 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCn3ncnc3C2)c1 594631994 VTOKBCAFNBOKLE-UHFFFAOYSA-N 396.454 -0.373 30 10 GBEE 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10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@H]1CC 1595466961 NRIUCFFTBRTDHI-CYBMUJFWSA-N 389.460 -0.469 30 10 GBEE C#CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1638832347 NOUPAKVWHASXER-OLZOCXBDSA-N 388.829 -0.340 30 10 GBEE N#CCNC(=O)CN1CC[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C1 1671080352 IQIVNIAQXXQXOB-MFWIUYSUSA-N 376.457 -0.398 30 10 GBEE CC(C)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCN(C)CC1 1676465113 GXYDJPMYRJAPBL-OAHLLOKOSA-N 391.476 -0.608 30 10 GBEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1705620731 DVLCSDIRSDJCCO-AWEZNQCLSA-N 397.501 -0.063 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccco1 1740599658 DQXJFTLJVBGRLV-GFCCVEGCSA-N 394.457 -0.019 30 10 GBEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1740679792 JZEHKKAGYYQYSJ-ZDUSSCGKSA-N 395.489 -0.244 30 10 GBEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1741803947 UWCOPFKWWYWDCP-STQMWFEESA-N 398.489 -0.126 30 10 GBEE 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Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CCNC2=O)n1 2282504004 IOQHXXBTESZNNR-JTQLQIEISA-N 384.267 -0.866 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@]2(CO)CCOC2)n1 2282510577 ANKKFVIMRDPZFM-HNNXBMFYSA-N 387.267 -0.851 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3CC4(C3)OC[C@H](O)[C@H]4O)s2)OC1(C)C 2282670772 LOPXPCNLOIRPFT-GXFFZTMASA-N 381.259 -0.006 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1ncon1 2282832958 DQEVTXNKLPCSTJ-QMMMGPOBSA-N 384.227 -0.463 30 10 GBEE C[C@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1 2282834988 ZJQYSZXDRITUJL-WDEREUQCSA-N 385.299 -0.467 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3[C@@H](O)C[C@H]3C2)n1 2282839678 HMIZXGMFQBSYCL-LOWVWBTDSA-N 383.279 -0.279 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCNS(C)(=O)=O 2285205024 VXWYKLNTJULJOC-UHFFFAOYSA-N 383.279 -0.032 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCN(C)C)CC1 268733292 PASFGOYOIAZGBD-HNNXBMFYSA-N 393.513 -0.069 30 10 GBEE 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383.514 -0.174 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 1359035628 ZBZOSFVVMZUICC-OAHLLOKOSA-N 385.472 -0.489 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2CNC3=O)CC1 1476559507 XOCOJPRMMHUZLB-UHFFFAOYSA-N 377.426 -0.453 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 1639817672 VMYZZJSJXBWCQM-GFCCVEGCSA-N 385.467 -0.651 30 10 GBEE N#C[C@]12CN(C(=O)c3cc(S(N)(=O)=O)ccc3F)C[C@H]1CS(=O)(=O)C2 1653070294 XRDAXKIDNHYDPF-LKFCYVNXSA-N 387.414 -0.517 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)F 1690059404 PKZGCJBXNWRLKJ-SNVBAGLBSA-N 392.432 -0.271 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)n2)C1 1719135697 LXLXWKQNMIZIJO-HWMZRRJGSA-N 377.445 -0.583 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C 1757724606 KZYGWBCRAWWYBM-XGUBFFRZSA-N 375.429 -0.382 30 10 GBEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1=O 1856735284 HMXVAXKHSVQMMB-HUUCEWRRSA-N 376.457 -0.155 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2281983688 XTCOGPDGXKYKLN-JGPRNRPPSA-N 381.263 -0.271 30 10 GBEE CC(C)S(=O)(=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282189707 BWGHNNQMVWTSNB-UHFFFAOYSA-N 386.283 -0.333 30 10 GBEE C[C@@H](O)C(C)(C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282308876 XJHFPXPDNSIOJG-SNVBAGLBSA-N 388.299 -0.200 30 10 GBEE CCN([C@@H]1CCOC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282312593 YQAAQNHFWWJHDO-LLVKDONJSA-N 386.283 -0.086 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCC3(CO)CO)c2)OC1(C)C 2282830577 WQNQMMZCXJRDMW-UHFFFAOYSA-N 384.263 -0.501 30 10 GBEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](O)CO 2282869303 AJZNCBKFUXTBPI-LBPRGKRZSA-N 387.263 -0.374 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC3(C(=O)O)COC3)c2)OC1(C)C 2284408935 CJIACUSPOCDTLR-UHFFFAOYSA-N 384.219 -0.487 30 10 GBEE C#CCCN(CC(=O)O)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2314898269 ZEPBSDUKMYPBCW-NSHDSACASA-N 376.431 -0.139 30 10 GBEE 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C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)C1=O 564104915 LNNUMYDMRVPRPL-YRGRVCCFSA-N 375.385 -0.305 30 10 GBEE COc1cc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1C#N 582214283 BXAMXUOUIAVKKE-UHFFFAOYSA-N 381.458 -0.317 30 10 GBEE COCCNC(=O)Cn1cc(NC(=O)C(=O)N2Cc3ccc(C#N)cc3C2)cn1 594321934 HNLFDFINIPAQRN-UHFFFAOYSA-N 396.407 -0.002 30 10 GBEE C#CCN(C(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)[C@H]1CCS(=O)(=O)C1 746150809 CASVDVWEMOSCHE-LBPRGKRZSA-N 387.483 -0.036 30 10 GBEE C#CCN(C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 772150951 ZGGBGDVHOOEQKH-LBPRGKRZSA-N 396.425 -0.658 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](COC)O[C@H](C)C2)n1 839368905 CNNHGVQRVDGCDE-WBVHZDCISA-N 392.456 -0.246 30 10 GBEE COCCOCCN(CCO)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 862682281 XEBZSZSFFNTULH-UHFFFAOYSA-N 385.442 -0.791 30 10 GBEE CC(C)(C)NC(=O)CN1CCN(C(=O)CON=C(N)c2ccncn2)CC1 863488536 VROMNLNFCCUEQW-UHFFFAOYSA-N 377.449 -0.828 30 10 GBEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 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30 10 GBEE C=C[C@@H]1OCC[C@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 425264265 OGCNLSOXUVYLHG-GTAFEMJLSA-N 377.401 -0.559 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 425900011 PVVFITLWKNCJEG-KBPBESRZSA-N 393.444 -0.433 30 10 GBEE CNS(=O)(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 448849095 SPOULENOCGVQLY-LBPRGKRZSA-N 383.455 -0.548 30 10 GBEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C#N 489083626 ZEELPQPLQVNNRC-UHFFFAOYSA-N 393.469 -0.573 30 10 GBEE N#Cc1nccnc1N1CCN(CCn2nc(-n3cccn3)ccc2=O)CC1 585587561 UVISEKBCTTWBSY-UHFFFAOYSA-N 377.412 -0.087 30 10 GBEE N#Cc1sccc1S(=O)(=O)N1CCN(CC(=O)N2CCOCC2)CC1 593526654 WMNQYIDFHGNOSQ-UHFFFAOYSA-N 384.483 -0.215 30 10 GBEE CN(C)CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1=O 593898185 NQHLZDFULBEDKS-UHFFFAOYSA-N 393.469 -0.931 30 10 GBEE C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 780436957 FXJPZJHLAHUSQZ-PVEMMZBWSA-N 379.461 -0.001 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)CC2)c1C#N 788115519 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C#CCCCC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1290257795 RAIWQZMMFRDFOW-QKPAOTATSA-N 379.457 -0.198 30 10 GBEE C#CCN(C(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1328631214 WODUOERTPXQFSX-CYBMUJFWSA-N 399.469 -0.629 30 10 GBEE N#C[C@@]12CN(C(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1462997212 IBELLKPWXQFDQY-XHSYRHOGSA-N 379.360 -0.302 30 10 GBEE CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](CO)C1 1586015476 GKOTXLMTMFFBFS-HZPDHXFCSA-N 385.424 -0.102 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1COCCO1 1588083905 MAEQTNOAALMDOJ-GJZGRUSLSA-N 395.485 -0.233 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(CCNC(=O)O2)C1 1598431568 DDWCORUIRLYOGV-NSHDSACASA-N 378.410 -0.064 30 10 GBEE CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NC(=O)Nc3cccc(C#N)c3)[C@@H]2O)CC1 1616154436 RUSVHWLFZURMNP-FPSMNIFISA-N 387.440 -0.220 30 10 GBEE CN(CCCC(=O)N[C@@H]1CCN(O)C1=O)C1=NS(=O)(=O)c2ccccc21 1624906370 HTUAFQLOSHQKQU-GFCCVEGCSA-N 380.426 -0.046 30 10 GBEE C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 1639206439 MPTGAAGVEPQOLG-YPMHNXCESA-N 385.467 -0.082 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1702216769 RVFKUZIAQPTJHM-VQHPVUNQSA-N 393.484 -0.038 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2267542423 RIZMWBXQZNXBBX-NXEZZACHSA-N 388.276 -0.670 30 10 GBEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)S(C)(=O)=O 2281963717 OKYTZEHHDITUDP-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282030747 JWJAILMKZOCQPR-FOGDFJRCSA-N 384.263 -0.365 30 10 GBEE COC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CC1 2282314333 XZJUVJKFJJFKSS-NSHDSACASA-N 386.283 -0.182 30 10 GBEE COC(CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)OC 2282507396 GXEMYZMBQHNUBK-UHFFFAOYSA-N 389.283 -0.075 30 10 GBEE CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H](CS)C(=O)O)(S(C)(=O)=O)C1 2306852734 OBFATLIHAJMZOM-QMMMGPOBSA-N 382.460 -0.480 30 10 GBEE 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30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)N(C)C 1703005945 MRVLYEQCEBULGC-ZSAUSMIDSA-N 385.486 -0.283 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1OC 1719248819 ZILPKCYESYDWRY-WISYIIOYSA-N 393.362 -0.402 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1722373107 JCFLPIYZMCVZMA-CYBMUJFWSA-N 375.458 -0.257 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1736371850 IWNOSBFHJHDNNN-TUVASFSCSA-N 390.440 -0.249 30 10 GBEE N#CCCNC(=O)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2019012346 QUZFTVBCPPNIPZ-CYBMUJFWSA-N 397.409 -0.189 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NCCOCC(N)=O)s2)OC1(C)C 2267712066 SYBGDQQVRKIQRU-UHFFFAOYSA-N 390.292 -0.173 30 10 GBEE CC1(C)OB(c2occc2C(=O)N[C@@H]2CNC[C@H]2S(C)(=O)=O)OC1(C)C 2282196276 YFUQDGLLFBFBHY-VXGBXAGGSA-N 384.263 -0.306 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(C2CNC2)CC1 2282304179 HGYHKXPADRTFPJ-UHFFFAOYSA-N 383.283 -0.855 30 10 GBEE 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C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)c1=O 840083614 KPADDVLREMXRTD-JKSUJKDBSA-N 391.472 -0.704 30 10 GBEE C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]1(C#N)CCOC1 848961111 PGRQOSCHULERKC-ZIAGYGMSSA-N 377.488 -0.396 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H](N(C)C)C(F)(F)F)CC1 896679763 IELACOYQMPVLTD-GFCCVEGCSA-N 399.439 -0.336 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](N)C2)C1=O 903756716 PZHGPFUDFRSWSY-UTUOFQBUSA-N 376.379 -0.030 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](CC(=O)OC)C2CC2)CC1 1118672328 GNGBTXRYQWRHQF-OAHLLOKOSA-N 377.441 -0.320 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCC[C@@H]1C1OCCO1 1322960916 BHFMIXVNTFARDK-DKASORFFSA-N 392.412 -0.617 30 10 GBEE C#CCOCCNC(=O)C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 1332866353 FNFPGFJMLYTQQH-UHFFFAOYSA-N 385.420 -0.064 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1344821417 XREPCYIBLZAWKV-KGLIPLIRSA-N 381.454 -0.353 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1346286624 JXNMKKZQJZDMAG-FPCVCCKLSA-N 381.473 -0.107 30 10 GBEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1359304272 SRJOCFYNDMUVKP-UHFFFAOYSA-N 395.423 -0.033 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1587990106 SCXWRZZXBHXCQZ-CYBMUJFWSA-N 385.490 -0.159 30 10 GBEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1)C1CC1 1595020353 DIKVQWPUKDIXKX-JTQLQIEISA-N 381.466 -0.385 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595537387 QHLWRBBRTQEHKW-RYUDHWBXSA-N 396.473 -0.845 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccccn3)nc2)CC1 1644284652 AUBSQYDVJMGFGN-UHFFFAOYSA-N 386.437 -0.236 30 10 GBEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2=O)cc1 1681301592 QBQKQHYPMZXWGT-AWEZNQCLSA-N 377.426 -0.264 30 10 GBEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCCCO)CCO1 1712886608 YMDAYCOLOHHMTM-AWEZNQCLSA-N 378.433 -0.472 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722689377 SLTZTUWJXFZEDE-MELADBBJSA-N 381.433 -0.134 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1740951638 KAMSDIPMERUDOJ-IAQYHMDHSA-N 399.452 -0.368 30 10 GBEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)NCC#CCN(C)Cc1ccccc1 1850097936 YHNAVTPYMHRZFH-QGZVFWFLSA-N 377.466 -0.159 30 10 GBEE C#CC[C@@H](O)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249451514 VEPUHFKTPAFMPG-HUUCEWRRSA-N 398.437 -0.242 30 10 GBEE Cc1nn(C)c(C(=O)NCCNS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2281979106 LLZWLGWEBPBVRE-UHFFFAOYSA-N 386.283 -0.693 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)NCC2(S(N)(=O)=O)CCC2)OC1(C)C 2281985273 LALKIDZSQPWNRH-UHFFFAOYSA-N 384.267 -0.350 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CCOC[C@@H]2[C@@H](O)CO)OC1(C)C 2282003559 CVBWXKFTYWZJCY-NEPJUHHUSA-N 384.263 -0.364 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NCCOCC(N)=O)cc2)OC1(C)C 2282334101 XHLAZKQRHBBKKE-UHFFFAOYSA-N 384.263 -0.234 30 10 GBEE CCn1cc(C(=O)NCCNS(C)(=O)=O)nc1B1OC(C)(C)C(C)(C)O1 2282536741 HAKPQJVXIQLJPF-UHFFFAOYSA-N 386.283 -0.519 30 10 GBEE CON1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282855512 FTOSSOZAXSGTGM-UHFFFAOYSA-N 386.283 -0.413 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H]1C(=O)O 2284416312 WOPIHOZTBFDHFR-LLVKDONJSA-N 385.251 -0.043 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2C(=O)NC[C@@H]2C(=O)O)OC1(C)C 2284486192 IXENZRAHALUMMP-CBAPKCEASA-N 381.219 -0.629 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC3CC(O)(CO)C3)c2)OC1(C)C 2284581969 BZCAUEZEOOWYCB-UHFFFAOYSA-N 384.263 -0.455 30 10 GBEE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2286705854 NAWMUTMOMLPBGU-SRVKXCTJSA-N 387.267 -0.854 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CS(=O)(=O)[C@@H]2C1 2361657789 AGKKAHOLKDJHQG-CMPLNLGQSA-N 381.263 -0.412 30 10 GBEE COc1[nH]c(=NC2CN(S(C)(=O)=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365350567 PLQHHFGABZTKOT-UHFFFAOYSA-N 383.279 -0.133 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC(=O)N1C 288453931 FXHHXJORGNUHRO-XJKSGUPXSA-N 397.435 -0.536 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 425908542 IKXRVGMYDFMQSJ-KKUMJFAQSA-N 399.455 -0.131 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 491044153 CPSFBZTYFQWLBH-UHFFFAOYSA-N 399.451 -0.044 30 10 GBEE COC(=O)CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510231878 XFOQAGSZJWILCM-UHFFFAOYSA-N 394.453 -0.456 30 10 GBEE CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(CC#N)cc1 580438988 LKUOTMMUFKBJHR-HNNXBMFYSA-N 399.494 -0.182 30 10 GBEE CO[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CCOC1 595127284 JDUGCGASOLONHV-CVEARBPZSA-N 387.440 -0.230 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CN2CCCN1CC2 597625020 OCVLFSXXJMEXLX-ZBFHGGJFSA-N 391.497 -0.269 30 10 GBEE C=CCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 643697990 FSTZSJDNYZLMJH-UGSOOPFHSA-N 390.444 -0.737 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)CC1 728535114 ZLYJDEQPQLKGOO-UHFFFAOYSA-N 394.431 -0.024 30 10 GBEE C#CCN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 729331874 RGNOCTWHDWTDLL-AWEZNQCLSA-N 384.479 -0.085 30 10 GBEE C#CCOc1ccc(NC(=O)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)cc1 737287929 IPKXZQYUKLQAOE-OAHLLOKOSA-N 386.408 -0.510 30 10 GBEE C[C@H](CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 848306397 RKMLIHZDNRTEOX-HZSPNIEDSA-N 392.481 -0.219 30 10 GBEE C#CCN(C(=O)C(=O)NC1CCC2(CC1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1117036922 VVOXOVXVQYMMPS-CQSZACIVSA-N 384.454 -0.563 30 10 GBEE C#CCN(C(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1117846970 LKJORGSYJDZJOU-CQSZACIVSA-N 397.497 -0.507 30 10 GBEE C=CCn1c(N2CCN(S(=O)(=O)CC)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1121709657 VNMIBSRATCNMBH-YOEHRIQHSA-N 398.533 -0.153 30 10 GBEE COC(=O)CC1(NS(=O)(=O)N(C)C[C@@H](C)C#N)CCS(=O)(=O)CC1 1256599131 MDWNMBMQOJOQHS-NSHDSACASA-N 381.476 -0.577 30 10 GBEE C#CCNC(=O)CN(CCO)[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1264076890 OFBXNMKXQHQEJE-MJQMVNBJSA-N 377.485 -0.164 30 10 GBEE C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CCC[C@@H]12 1284060015 YXCDEXGLSBEKIP-AVFIKVKVSA-N 375.469 -0.100 30 10 GBEE Cn1cnn(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CSCC#N)c1=O 1292040538 QSJBQYRGWYINBI-UPJWGTAASA-N 378.458 -0.523 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CCO1 1303003469 HKLSWKLBMQIONC-MCIONIFRSA-N 397.457 -0.676 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 1311719761 ZEIPLMJVSJNVFB-UHFFFAOYSA-N 379.442 -0.920 30 10 GBEE Cn1cnnc1N1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1326857565 YEZPZHABDQUAHG-UHFFFAOYSA-N 383.412 -0.318 30 10 GBEE N#CCC1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 1329241556 RJBWTARVNNCOMM-UHFFFAOYSA-N 376.461 -0.692 30 10 GBEE C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1nnnn1C1CC1 1331946569 SLPXXCYIZSOTTG-GFCCVEGCSA-N 395.427 -0.199 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1334681069 CNTVRFXYJBUHCQ-BARDWOONSA-N 379.457 -0.441 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(N2[C@H]3CC[C@H]2CNC3)CC1 1336647345 UVUGMEDVJWRBSE-HOTGVXAUSA-N 398.529 -0.869 30 10 GBEE C#CCN(c1nnc(CN2CCC(CO)CC2)n1C)[C@H]1CCS(=O)(=O)C1 1338517633 BIIFOACAKNTREM-HNNXBMFYSA-N 381.502 -0.354 30 10 GBEE C=CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1339197571 SHDDQRPAKXVDQM-YOEHRIQHSA-N 398.533 -0.153 30 10 GBEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCN(S(=O)(=O)CC)CC1 1339497111 JZYURTZMKVVFFH-CQSZACIVSA-N 384.506 -0.061 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)NCCc2nnc3c(=O)n(C)ccn23)CC1 1471368035 TXUGWJBPSSADQM-UHFFFAOYSA-N 385.428 -0.859 30 10 GBEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)nn1 1630446164 XADAULOLHWNGKB-UHFFFAOYSA-N 375.414 -0.065 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 1632960885 PFGYWVVYCOXMQZ-UHFFFAOYSA-N 388.453 -0.578 30 10 GBEE C#CCC1(O)CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1633141124 RUUMWGNDNKPANL-ZDUSSCGKSA-N 381.454 -0.471 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC=C 1690103478 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JGXKYXFMDXBGNI-HOTGVXAUSA-N 399.513 -0.243 30 10 GBEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1339498239 PXDRAZBIXNDKIN-OAHLLOKOSA-N 377.493 -0.323 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)ccc1F 1455690748 VYDUCOCNTBAEBF-LBPRGKRZSA-N 397.428 -0.387 30 10 GBEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1507512259 DKVOYSJVUKWTIF-BLLLJJGKSA-N 383.474 -0.576 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1507519020 XUNREDUIYWQVHH-WOSRLPQWSA-N 384.506 -0.587 30 10 GBEE C=CCCCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 1522098611 NZEHXTVXSPOCHO-RQJABVFESA-N 383.470 -0.700 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(CC)CCO1 1574258591 WVMFGEFYJICGQS-FXUDXRNXSA-N 376.457 -0.905 30 10 GBEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNS(C)(=O)=O 1588090592 YVRLTYFRWODKLL-KRWDZBQOSA-N 395.485 -0.448 30 10 GBEE C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2C1 1719579973 XACCXPGCCDCRRF-IBZGSYRLSA-N 385.464 -0.144 30 10 GBEE NC(=O)CNS(=O)(=O)c1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)o1 1772784597 JPNPNUOYRTZQFW-UHFFFAOYSA-N 393.333 -0.589 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2267488951 VTMWKHBQGMQBJR-NEPJUHHUSA-N 387.288 -0.065 30 10 GBEE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281979633 OPJZDLVSYCUJNV-JTQLQIEISA-N 386.283 -0.281 30 10 GBEE Cc1nn(C)c(C(=O)N[C@@H](C)CS(N)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2281984037 BWLDCLZCCVYQJC-VIFPVBQESA-N 386.283 -0.565 30 10 GBEE Cn1nc(C(=O)N[C@@]2(CO)CCNC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040369 IOIKFBOUFKMCNM-INIZCTEOSA-N 384.673 -0.173 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NS(C)(=O)=O)C1 2282179667 VNTQEMNLOHZKRL-UHFFFAOYSA-N 383.279 -0.302 30 10 GBEE CN(CC1CC(O)C1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282303964 DDERHNPKQYAVIE-UHFFFAOYSA-N 386.283 -0.494 30 10 GBEE C[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282314055 UBCQBIOUQBWGDB-WDEREUQCSA-N 386.283 -0.352 30 10 GBEE Cc1ccc(S(=O)(=O)NC[C@@H](O)C(N)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282324410 OVNPDVGPRLPMLG-GFCCVEGCSA-N 384.263 -0.581 30 10 GBEE C[C@H]1CCNCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282325223 BHNFJZQFQLRNRS-NSHDSACASA-N 385.299 -0.513 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCNC[C@@H]3O)c2)OC1(C)C 2282351589 CPEBPLHQWFQUBK-KBPBESRZSA-N 383.279 -0.618 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CC(O)(CO)C3)c2)OC1(C)C 2282844687 HKOSZCKIZMXMJE-UHFFFAOYSA-N 383.275 -0.145 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CC[C@H](O)C1 2282846595 MADQIRBSEOKJNC-QWRGUYRKSA-N 386.283 -0.446 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N[C@@H]2C(=O)NC[C@H]2C(=O)O)OC1(C)C 2284433190 IYOQKVNNCVLTAK-SCZZXKLOSA-N 380.231 -0.024 30 10 GBEE Cn1ccnc1-c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 366414608 OGVYIASJTWFHAK-UHFFFAOYSA-N 385.409 0.487 30 10 GBEE N#Cc1cnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 450242019 IAVJALUACNJRGQ-UHFFFAOYSA-N 382.402 -0.440 30 10 GBEE C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cccc(C#N)n2)CC1 516579032 DAUBSQXLSZRWEK-LBPRGKRZSA-N 397.439 -0.674 30 10 GBEE C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 552456005 LNNADVBJGHKCHT-CQSZACIVSA-N 384.440 -0.271 30 10 GBEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 584183707 RYFSUIXGNDHHID-XFNZEKPQSA-N 393.512 -0.124 30 10 GBEE CO[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H]1CCOC1 595167143 RNPAGSWQOAMQCU-HOCLYGCPSA-N 387.440 -0.230 30 10 GBEE CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC 598638506 QNVJHYJXRAWXPL-AVGNSLFASA-N 379.417 -0.838 30 10 GBEE N#Cc1ncn(CCNC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)n1 598651975 BBQJEQGFTSUDLE-UHFFFAOYSA-N 386.391 -0.080 30 10 GBEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@@](C)(=O)N(C)C)n1 882137613 PWYYKFAGFLAIDO-HSZRJFAPSA-N 377.492 -0.216 30 10 GBEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCCc3ccc(C#N)cc3)CCN2C1=O 1118520268 GKYHFEYQLRHZHM-HNNXBMFYSA-N 383.408 -0.288 30 10 GBEE C#CCN(C(=O)NCc1cccc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1254130178 KGAPFYFAWSDRLE-ZDUSSCGKSA-N 385.467 -0.334 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)NCC(C)(C)CS(N)(=O)=O)CC2)c1C#N 1254249578 UARQADMOCITZNW-UHFFFAOYSA-N 397.505 -0.254 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)F 1286272441 BTHQYXUTJHPIBW-UWVGGRQHSA-N 392.432 -0.273 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C(C)(C)COC)CC1)[C@H]1CCS(=O)(=O)C1 1325927852 YOOHPRMLUJVNEN-HNNXBMFYSA-N 399.513 -0.796 30 10 GBEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C#CC3CCNCC3)CC2)cn1 1329923954 MAVLTWYDYPXJQY-UHFFFAOYSA-N 379.486 -0.308 30 10 GBEE C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(OC)CCOC1 1340275463 ANKBAECOSOMIHG-SFHVURJKSA-N 378.477 -0.016 30 10 GBEE C=CCN(C(=O)c1nc(S(N)(=O)=O)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1464398209 IFFCSBKIAQWRIP-LLVKDONJSA-N 398.466 -0.203 30 10 GBEE C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCNC(N)=O)nn1 1490809208 KGWTZEPDINCLSH-BZPMIXESSA-N 375.433 -0.226 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCS(C)(=O)=O 1507678797 CKNBFHWRPMMHJC-GFCCVEGCSA-N 391.519 -0.218 30 10 GBEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1521128331 BDKWEGKBHOCFBC-BLLLJJGKSA-N 392.441 -0.448 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCS(N)(=O)=O)s1 1558191511 OOANASGIEAJOJN-UHFFFAOYSA-N 381.501 -0.498 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 1588199024 FWUQNLMQSJAUKD-UHFFFAOYSA-N 377.426 -0.250 30 10 GBEE CNC(=O)C1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOCC1 1654805551 VQYFESYKAKCNPL-UHFFFAOYSA-N 390.444 -0.612 30 10 GBEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)[C@@H]2C1 1684440445 OGWIYMSLLPIEMP-QOBDMFJFSA-N 387.396 -0.025 30 10 GBEE CN1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)C1 1696875249 CDLMOXHKIAAOPN-JCURWCKSSA-N 377.424 -0.262 30 10 GBEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCCCO)CCO1 1712886609 YMDAYCOLOHHMTM-CQSZACIVSA-N 378.433 -0.472 30 10 GBEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NS(=O)(=O)N1CC(C#N)C1 2126741477 XMSDLVAFJGCBMM-UHFFFAOYSA-N 385.450 -0.584 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](O)(CO)[C@@H](O)C3)cs2)OC1(C)C 2282200689 OAOPXPUZCQNNBE-YVEFUNNKSA-N 383.275 -0.023 30 10 GBEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)C(N)=O 2282311429 IIZVPQFAKGIKDN-GFCCVEGCSA-N 384.263 -0.581 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1ncc[nH]1 2282317892 AZGKODIKASIHGF-UHFFFAOYSA-N 382.255 -0.642 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cccnn1 2282354292 ONNDCFPUALUYAK-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2C[C@H](O)[C@H](O)C2)OC1(C)C 2282506903 ZBDQVBYDXMNAAK-BETUJISGSA-N 387.238 -0.149 30 10 GBEE Cc1nc(S(=O)(=O)Nc2cn(C)nn2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282840288 MGXAZQWAYLPZNR-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@@H]2C(=O)O)n1 2284402261 MHHPTRAIAAZOJJ-LLVKDONJSA-N 385.251 -0.043 30 10 GBEE CON(CCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2284409895 OQZSQNJRCKLXBE-UHFFFAOYSA-N 389.239 -0.254 30 10 GBEE Cn1cc(/C=C\C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(=O)n(C)c1=O 255715261 SOWXXQAHXQGGGJ-XQRVVYSFSA-N 380.408 -0.287 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 349467747 NYTWWLBYRQAHHR-UQCILMERSA-N 383.517 -0.915 30 10 GBEE C[C@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 410803283 WSPLBXCXQCVYHN-HNNXBMFYSA-N 386.456 -0.873 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCCO3)CC1 536105605 BVIGKGREZKOZDJ-UHFFFAOYSA-N 388.424 -0.157 30 10 GBEE N#Cc1ccsc1NC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 599891879 YXLMGPANVBPJQK-UHFFFAOYSA-N 376.442 -0.272 30 10 GBEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cn1 732564384 MFYPSJCXWRGVCD-UHFFFAOYSA-N 385.449 -0.516 30 10 GBEE N#C[C@@H]1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCN1C1CC1 747570595 MJGSKLBCZSSFJH-MRXNPFEDSA-N 387.444 -0.054 30 10 GBEE Cc1nccn1C[C@H](C)CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1321943723 GCBWQQNSUNTVNN-IUDBQGPFSA-N 388.428 -0.414 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCCC3CS(=O)(=O)C3)CC2)nc1 1325797693 FDIFCRXOUXKLMA-UHFFFAOYSA-N 391.453 -0.847 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1328907368 FBTGSXJINTUDHJ-INIZCTEOSA-N 392.500 -0.410 30 10 GBEE CN1CCC[C@@H](CN(C)C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1329873871 NEVPLAPBEJOPDT-GFCCVEGCSA-N 388.428 -0.996 30 10 GBEE COC(=O)[C@]1(N2CCN(C(=O)C(=O)N3CCC(CC#N)CC3)CC2)CCOC1 1335013100 OPFCNAJSYJWVIW-IBGZPJMESA-N 392.456 -0.385 30 10 GBEE CNCCOCCN(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1335241059 VHDVSAONCVTCLO-UHFFFAOYSA-N 388.472 -0.267 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC[C@]2(C)CC2(F)F)CC1 1337708439 AWFNUWMMAXQTHX-CYBMUJFWSA-N 389.432 -0.302 30 10 GBEE COC(OC)C(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1640225367 LNCKKBXVEFVWBY-PFONDFGASA-N 380.401 -0.807 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO 1644702617 KJRVENJVQKKBKF-CWRNSKLLSA-N 392.481 -0.107 30 10 GBEE COC(=O)[C@@]1(CNC(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1S(C)(=O)=O 1651261969 OQTHRRXDGCCTHI-WMLDXEAASA-N 379.390 -0.141 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(C(=O)OCC)n2C)CC1 1671127903 NIFARTVNTVMFIX-UHFFFAOYSA-N 398.445 -0.786 30 10 GBEE Cc1nn(CC(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CSCC#N)c(=O)n1C 1736457957 IXQIIWCAGZHLDZ-AGIUHOORSA-N 378.458 -0.605 30 10 GBEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740962523 GRLIBWDRYZPNHH-ZIAGYGMSSA-N 377.445 -0.107 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(N)=O)CC1 1757791984 RXRBCOAWKUNDRP-TUVASFSCSA-N 376.457 -0.029 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1760210409 RNXAUMBQAWPNQG-ZDUSSCGKSA-N 380.474 -0.561 30 10 GBEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CCC(F)(F)F)C(=O)C2)C1 1856849875 IGCPNOXPMRYWRJ-LLVKDONJSA-N 396.391 -0.073 30 10 GBEE CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2037530364 SWYRVCGNMNAFEK-SZWNNLDJSA-N 386.441 -0.576 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H]2C(N)=O)OC1(C)C 2267708530 LHGKEZOEWIIREK-JTQLQIEISA-N 387.292 -0.168 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2CNC[C@H]21 2282316435 CFHTYAYTGNIZIE-GHMZBOCLSA-N 383.283 -0.903 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](N)C2(CC2)C1 2282337985 OIJAKGLVSQMUTJ-LLVKDONJSA-N 382.295 -0.169 30 10 GBEE C[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282338077 LCXGRKPPQQKYRN-YPMHNXCESA-N 384.311 -0.004 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)n1 2282496880 IVOJBSVXBRUTSE-WCQYABFASA-N 382.295 -0.298 30 10 GBEE CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1 349465715 PBNHOXADKSAELO-AWEZNQCLSA-N 392.503 -0.906 30 10 GBEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 361204556 WGXSAZCZKFYVPH-WFASDCNBSA-N 394.501 -0.097 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C3CCC3)CC2)CC1 459881630 DYLLUEPYLOFPMT-UHFFFAOYSA-N 377.489 -0.871 30 10 GBEE COCCN1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460595089 CBCDLPPLYOFHAG-AWEZNQCLSA-N 383.412 -0.086 30 10 GBEE N#C[C@@H]1COCCN1C(=O)CN(CC(=O)N1CCOC[C@H]1C#N)c1ccccc1 462143957 RDHKPIKENRPCIS-QZTJIDSGSA-N 397.435 -0.005 30 10 GBEE COC(=O)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@H]1CCC[C@@H](OC)C1 566800767 HPQMCYSNTHDUSS-REWJHTLYSA-N 375.447 -0.208 30 10 GBEE CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(=O)N(C)CC1 595959473 FDNAVMFZHLQBLW-CYBMUJFWSA-N 394.519 -0.566 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 652736511 HMJDFVNBSXAGNU-UHFFFAOYSA-N 394.497 -0.003 30 10 GBEE Cn1nc(C(=O)N2CCN(CCOC(=O)c3ccnc(C#N)c3)CC2)ccc1=O 796685779 BFTYYEIGJHNSBT-UHFFFAOYSA-N 396.407 -0.338 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)N1CCOCC1 844935879 KJVSPKMOCWNTHJ-MRXNPFEDSA-N 396.469 -0.105 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C[C@H](O)C[C@H]2C1 848307967 UYABFJYTBMTDFK-QWHCGFSZSA-N 378.454 -0.607 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCC(N2CC[C@@H](O)C2)CC1)c1cc[nH]n1 856253353 LAELJBHAYVUDKX-CQSZACIVSA-N 393.444 -0.249 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 918743036 RXFOLVXZBXVROB-UHFFFAOYSA-N 379.438 -0.035 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 1117726246 YKFGIXBUSDWWSL-KBXIAJHMSA-N 387.502 -0.082 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)C1=O 1129767598 ZKBPXBMKYYDCAE-VXGBXAGGSA-N 375.385 -0.267 30 10 GBEE CC(C)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)N1CCOCC1 1163096730 KQMSPGHCFKDXAH-ZDUSSCGKSA-N 377.401 -0.790 30 10 GBEE N#CCNC(=O)CNCC[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1269752420 XZUXRITXMREIOO-MUQADHOPSA-N 378.473 -0.104 30 10 GBEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)CC 1286727445 QELFGUTUGVZKFA-LBPRGKRZSA-N 391.519 -0.258 30 10 GBEE C#CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)[C@@H]1CCS(=O)(=O)C1 1291928386 JZSWRKKQDYPRTH-CYBMUJFWSA-N 389.437 -0.165 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1328403044 SNDAYDYOAWNOKN-GXTWGEPZSA-N 382.438 -0.661 30 10 GBEE COC(=O)[C@@H]1CC[C@@H]2C(=O)N(CCN/C(O)=C3/N=CC=CC3=O)C(=O)N2C1 1329220976 BBKWILDCTGVEPV-ICBKXBRDSA-N 376.369 -0.271 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(CCC(=O)OC)C2=O)C1=O 1329405211 ULORPIRHHVJUTK-LLVKDONJSA-N 395.368 -0.940 30 10 GBEE C=CCn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CCN([C@H]2CCOC2)CC1 1339138662 ZQPMXFNHMPWZFL-QWHCGFSZSA-N 375.433 -0.402 30 10 GBEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1359282162 RZRTTWGOJBFWSB-ZDUSSCGKSA-N 385.490 -0.093 30 10 GBEE C[C@]1(CO)C[C@H](O)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1453750496 MOKMMTWINOMASJ-YVEFUNNKSA-N 381.454 -0.151 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOCCO)[C@H](c2cnn(C)c2)C1 1488980378 AYFNRXKRBLAGDJ-XDNAFOTISA-N 378.473 -0.096 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)COCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1574143106 ATSPLGJPGYCIIE-KBXIAJHMSA-N 386.470 -0.550 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOC23CCOCC3)CC1 1638933993 QAKBSKFDWPWJQN-CQSZACIVSA-N 386.474 -0.881 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1722413112 IEXPWPZPLSPLHI-AWEZNQCLSA-N 397.501 -0.015 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCS(=O)(=O)NC)[C@@H]2C1 1739707575 DNKSKWBVNJEDFW-TUVASFSCSA-N 385.486 -0.424 30 10 GBEE CC(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1741116577 NEUXXPTXIPXONP-UONOGXRCSA-N 396.473 -0.565 30 10 GBEE C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1757709587 KWDHTKLHBUOJRU-XGUBFFRZSA-N 377.445 -0.189 30 10 GBEE Cn1c(C(=O)N2CCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc(=O)n(C)c1=O 1855016147 SDKOLAJZQFGHHG-KBPBESRZSA-N 399.451 -0.159 30 10 GBEE CN1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)[C@@H](CNC(=O)C(F)(F)F)C1 2174784493 OKYHDVDPNQJOGP-NEPJUHHUSA-N 397.423 -0.239 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCC[C@@H]2CS(N)(=O)=O)OC1(C)C 2282061498 LQSGIPSXJXIWDO-SNVBAGLBSA-N 384.267 -0.398 30 10 GBEE CCC(O)(CC)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282295467 MPGZSORTTBEWBX-UHFFFAOYSA-N 388.299 -0.056 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CNC[C@H](F)C1 2282320416 IHGYARHUCAPSDB-NXEZZACHSA-N 389.262 -0.907 30 10 GBEE Cc1csc(C(=O)N2C[C@H](O)[C@@H](O)[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282609473 JAGLZVCADAHOHG-MDZLAQPJSA-N 383.275 -0.106 30 10 GBEE CNS(=O)(=O)C1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282712759 VNYZJPDNYUJACN-UHFFFAOYSA-N 381.263 -0.246 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@](C)(CN)C1CC1 2282832984 FBXCJPDLPNYVDF-HNNXBMFYSA-N 385.299 -0.480 30 10 GBEE CC[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)NC 2282844594 GJBWDPJTHSCFNO-LLVKDONJSA-N 386.283 -0.478 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2CNC[C@H]21 2282849904 IKWOTXWWQBIVSC-NQBHXWOUSA-N 382.295 -0.395 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1[C@@H]2COC[C@H]12 2282860070 VFQVHMKQWFHXAV-CNDDSTCGSA-N 383.279 -0.110 30 10 GBEE CC[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CO1 2282868314 LSMAHRDPALNZSV-GHMZBOCLSA-N 386.283 -0.040 30 10 GBEE CC(=O)N1CCN(/C(=N\C[C@@H]2CCCO2)NC[C@@H]2CCS(=O)(=O)C2)CC1 262365031 HMYWGGWJXVHACE-HOTGVXAUSA-N 386.518 -0.290 30 10 GBEE C/N=C(/NCC1(N(C)C)CCOCC1)N1CCN(c2nccn(C)c2=O)CC1 262822565 XKXJDMHAZVQORT-UHFFFAOYSA-N 391.520 -0.412 30 10 GBEE CN(c1nncs1)S(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349599282 JTQHVCYGPUZBFX-UHFFFAOYSA-N 379.489 -0.131 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 479909712 CZZOURIZVNPRAZ-CQSZACIVSA-N 387.502 -0.585 30 10 GBEE N#CCC(=O)N1CCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 582674278 IORBYVGVPOJGKF-UHFFFAOYSA-N 377.352 -0.088 30 10 GBEE CN1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)S1(=O)=O 592793941 VJFVMISMEYTGJT-LSDHHAIUSA-N 376.438 -0.191 30 10 GBEE N#Cc1ccncc1N1CCN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC1 593242948 ZVOKACGRRZGVIT-UHFFFAOYSA-N 381.396 -0.046 30 10 GBEE Cn1[nH]cnc1=NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(CC#N)C2)c1 595963953 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C#CCN(C(=O)C(=O)NCCc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1345769482 LJTHYHFDQILQDK-HNNXBMFYSA-N 391.449 -0.907 30 10 GBEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1346593634 QEFJPRFWYMJKNF-UONOGXRCSA-N 397.505 -0.804 30 10 GBEE C#CCN(c1nnc(C[C@@H]2SCCNC2=O)n1CC)[C@H]1CCS(=O)(=O)C1 1352821852 YPHVMWICOOZACI-STQMWFEESA-N 397.526 -0.301 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 1540861848 IZSNXIVFHLDNFG-UHFFFAOYSA-N 396.473 -0.949 30 10 GBEE CCS(=O)(=O)NC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1543927745 RXKGNWJLARLKKX-FOCLMDBBSA-N 384.458 -0.167 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cnc3n2CCOC3)c1 1611687948 LDTOXGWVJSZHAD-UHFFFAOYSA-N 375.410 -0.120 30 10 GBEE CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(C#CC(C)(C)O)o2)C[C@H]1O 1616073493 ALHAVPWHFPVHOZ-GXTWGEPZSA-N 384.454 -0.274 30 10 GBEE COC(=O)[C@@]1(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1644435492 XBTBAKPDJGXWLL-MEDUHNTESA-N 381.410 -0.639 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)OC)c1 1648345038 MCPPGXFALCDFSL-OAHLLOKOSA-N 392.433 -0.061 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(C)c1 1722373109 JCFLPIYZMCVZMA-ZDUSSCGKSA-N 375.458 -0.257 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749670506 SCNWWPAQRFGEDS-PIGZYNQJSA-N 375.433 -0.767 30 10 GBEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccccc3-n3cnnn3)C(=O)C2)C1 1855028664 CCVKSNAOTUTZAF-HNNXBMFYSA-N 394.439 -0.065 30 10 GBEE C#CCOCCOCCNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1988513529 JANUEAOSGJKPSG-UHFFFAOYSA-N 380.422 -0.132 30 10 GBEE CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](CNC(=O)C(F)(F)F)C1 2174783579 DOASNWBEPSPLCL-LLVKDONJSA-N 391.375 -0.064 30 10 GBEE Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801482 SIAGUTNZKZQYFE-NSHDSACASA-N 383.279 -0.055 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2COCCO2)n1 2282499000 MCIOBXVZIDGESS-LLVKDONJSA-N 387.267 -0.587 30 10 GBEE COCC(COC)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282837489 FCSCWEFRELVOAH-UHFFFAOYSA-N 390.271 -0.946 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CCN[C@H]2C1 2282859012 GYSGEWUEFSUTNX-MNOVXSKESA-N 383.283 -0.903 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]1CC(=O)O 2284395418 KZHTYBBCYGZACH-VIFPVBQESA-N 386.239 -0.648 30 10 GBEE C#CCC[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)O 2313859034 LXEMZLISUAKIFT-QWRGUYRKSA-N 376.431 -0.093 30 10 GBEE C#CCN(C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)[C@@H]1CCS(=O)(=O)C1 109050961 BWQSYXSOPIUMHK-CYBMUJFWSA-N 376.438 -0.169 30 10 GBEE COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 297793309 KRQGOONYXUXMIO-ZBFHGGJFSA-N 387.440 -0.136 30 10 GBEE COCCN1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1=O 368234784 FEHFNRDBIWRTKN-UHFFFAOYSA-N 394.453 -0.456 30 10 GBEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1C#N 451655189 RFFZUBIACJHPJT-UHFFFAOYSA-N 387.487 -0.189 30 10 GBEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 505779532 XTMDQUQUEHOILK-KRWDZBQOSA-N 391.432 -0.394 30 10 GBEE C[C@@](O)(CO)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 549090736 DLVSPPVWXMPNFT-KRWDZBQOSA-N 381.454 -0.182 30 10 GBEE CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 552958402 OCTBLIFWQSRRSS-UHFFFAOYSA-N 386.456 -0.120 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)n1 559894485 GOHQAQQINRMAJB-AWEZNQCLSA-N 379.424 -0.001 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(-n4cnnn4)cn3)CC2)c1C#N 594349222 KNVFQGZEKGDVGU-UHFFFAOYSA-N 378.400 -0.067 30 10 GBEE N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)c(F)c1 599891195 ODOCOLKUCQYFAN-UHFFFAOYSA-N 388.403 -0.195 30 10 GBEE CCCC(=O)N1CSC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 600831936 HFBIVWZMRUOLEO-LBPRGKRZSA-N 377.426 -0.095 30 10 GBEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615454951 HSHAUTREBSIYCX-CYBMUJFWSA-N 395.485 -0.144 30 10 GBEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C[C@H]21 815707712 MHTGYHGKSDLRQC-WDNDVIMCSA-N 380.364 -0.045 30 10 GBEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C(=O)CC#N)CC2)c1=O 826961291 DWHJZMVRIFPLLP-UHFFFAOYSA-N 383.408 -0.232 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCO[C@H]([C@H](C)O)C2)n1 840980832 OKSOKWUTBQXFDL-HOCLYGCPSA-N 378.429 -0.901 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NCC2(C)OCCO2)c1 848956292 PDWBCDLZVILHNG-NSHDSACASA-N 389.455 -0.082 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@]3(CCNC3)C2)CC1 887079291 NYFXWBPHHNBLLD-HXUWFJFHSA-N 391.516 -0.575 30 10 GBEE C=C1[C@H](C(=O)N[C@@H](C)CN2CCOCC2)[C@H]1C(=O)N[C@H](C)CN1CCOCC1 900208218 FBWIAGXJVJFPMH-MVJTYMMSSA-N 394.516 -0.538 30 10 GBEE N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 919812014 XZMQWVJVOPGPCM-UHFFFAOYSA-N 394.453 -0.076 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csnc1C(=O)OC 1116357407 URKLGJKPQFRBNU-VIFPVBQESA-N 378.453 -0.259 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC(O)(CC#C)CC2)n1 1120345079 MNHNRJMJUUXOPX-UHFFFAOYSA-N 386.452 -0.132 30 10 GBEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)NC)CC1 1157728240 FVDHWNHXEGTYCN-ZDUSSCGKSA-N 388.490 -0.099 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1281669458 WIDFRGHEMYJASX-NHIYQJMISA-N 388.486 -0.521 30 10 GBEE CCN(CCC#N)C(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1319320306 YLJNHMBPUIGYHQ-FWCYYJLNSA-N 390.484 -0.011 30 10 GBEE COC[C@@H](CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)OC 1327304617 TZZPHKXPBRMJEX-OAHLLOKOSA-N 375.429 -0.230 30 10 GBEE C=C(C)Cn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1343762517 GOEXJJXXQZFHRD-HZPDHXFCSA-N 391.520 -0.198 30 10 GBEE COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCO1 1348131368 VWKOERMESUMXEM-CQSZACIVSA-N 387.396 -0.998 30 10 GBEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359121753 HFFCQSBFXCAUMP-STQMWFEESA-N 380.474 -0.030 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1490790666 XZJOCNQRXWNVPA-ZIVKBKJYSA-N 378.429 -0.497 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508079596 ACLBVXAXLDVIST-GFCCVEGCSA-N 384.400 -0.322 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCCO)CC1 1539428189 NRTJJDLWHAUUBS-UHFFFAOYSA-N 390.488 -0.332 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 1640326336 JGVHNPWTLZNULN-UHFFFAOYSA-N 383.386 -0.634 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC 1705551780 QYOKUOPBOFXHPF-ZIAGYGMSSA-N 385.490 -0.037 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1CC 1740630317 HKTYZFAUVXZUBU-CYBMUJFWSA-N 390.473 -0.379 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CCOC 1760206078 QNVQPRUSRBVTIK-MRXNPFEDSA-N 393.513 -0.169 30 10 GBEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(C[C@@H]4COCCO4)C3)CC2=O)ccn1 1854904299 IIOCHBXOWCJYAW-ZWKOTPCHSA-N 399.451 -0.273 30 10 GBEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cccc(-n4cnnn4)c3)C(=O)C2)C1 1855045464 JENLAYORPBLULX-QGZVFWFLSA-N 394.439 -0.065 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)CC2=O)CC1=O 1855446208 ZSIFWPBXVHMCMM-KGLIPLIRSA-N 383.470 -0.874 30 10 GBEE Cn1c(C(=O)N2CCN(CCC#N)C3(CCCCC3)C2=O)cc(=O)n(C)c1=O 1856625307 KLWZVQZENIZPJP-UHFFFAOYSA-N 387.440 -0.015 30 10 GBEE COC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2267371641 DDLZYFKXGBQMOC-JTQLQIEISA-N 390.292 -0.174 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCNC(=O)C2)OC1(C)C 2267473456 GDIBQXRSSPJSMW-UHFFFAOYSA-N 387.292 -0.296 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CNC[C@H]2O)OC1(C)C 2267722748 YKBBVZBGWIIEJF-ZYHUDNBSSA-N 388.320 -0.094 30 10 GBEE COCC[S@](=O)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282021451 MPTSMHFVPSLQCV-AREMUKBSSA-N 383.279 -0.099 30 10 GBEE CNS(=O)(=O)CCNC(=O)c1c(C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282067481 ZBXVZFBKSMPWCN-UHFFFAOYSA-N 386.283 -0.693 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1ncon1 2282312242 SMVNTRDXTISATP-UHFFFAOYSA-N 384.227 -0.982 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2CN[C@H]1C2 2282350490 NQWWKZKZGCHAPE-SDDRHHMPSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCCC(CO)CO)c2)OC1(C)C 2282354667 UEPLAWQNWJXLFM-UHFFFAOYSA-N 386.279 -0.350 30 10 GBEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H]3CNC[C@@H]3O)cc2)OC1(C)C 2282839925 KEEJEBNMABRDNH-CABCVRRESA-N 382.291 -0.262 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2COCC[C@H]2N)n1 2282841191 MJYFTYZPLLAEOC-NEPJUHHUSA-N 386.283 -0.886 30 10 GBEE Cn1[nH]c(CCN)nc1=NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362567403 CPQNAZCPOZDQDO-UHFFFAOYSA-N 378.267 -0.254 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCN3CCCC3=O)CC2)c1 283066083 BIUVFHLESRHQDK-UHFFFAOYSA-N 384.440 -0.269 30 10 GBEE Cc1nn(C)c(C)c1[C@H]1[C@H](N/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CC(=O)N1C 330135122 MQHRTBWXTOSMMX-LALPHHSUSA-N 383.474 -0.001 30 10 GBEE CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]2(C#N)CCOC2)C1 349499540 DJZXFDLZALXKHL-UONOGXRCSA-N 395.503 -0.629 30 10 GBEE CO[C@H]1O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(O)nc(/N=C/N(C)C)nc43)[C@@H]2O1 514286881 VOVMYWXLRXJXGX-IKWHXPMASA-N 380.361 -0.643 30 10 GBEE N#Cc1ccccc1OC[C@H](O)CN1CCN(CC(=O)N2CCOCC2)CC1 528338017 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384.440 -0.523 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1345411222 SQXFHOUMVXSLPO-ZIAGYGMSSA-N 381.429 -0.401 30 10 GBEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C[C@H](O)CC1(C#N)CCOCC1)C2 1473872126 HJCKIQHWBIYJNL-CABCVRRESA-N 376.461 -0.070 30 10 GBEE C=CCNC(=O)c1ccc(NC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 1622929785 XHCDVKHRVDMWEJ-AWEZNQCLSA-N 379.442 -0.032 30 10 GBEE C#CCN(C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)[C@@H]1CCS(=O)(=O)C1 1626434714 NGRLGOHWSDPZHH-HUUCEWRRSA-N 392.481 -0.156 30 10 GBEE N#C[C@@]12CN(C(=O)NC[C@H]3COC4(CCOCC4)O3)C[C@H]1CS(=O)(=O)C2 1680985015 UGUQIKUESTZTEZ-YDHLFZDLSA-N 385.442 -0.512 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CC2)CC1 1690111533 DHIWZXVYOSPHRD-ZDUSSCGKSA-N 382.490 -0.832 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1749668633 BQRPTDAAPKUZST-CYBMUJFWSA-N 392.460 -0.445 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(C(=O)N(C)C)CC3)C2=O)CC1=O 1854110524 NKDIOPSTLAWSRK-JKSUJKDBSA-N 390.484 -0.051 30 10 GBEE 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KJQNMUTZIKVZLX-UONOGXRCSA-N 377.445 -0.126 30 10 GBEE COCCOCCN1C(=O)C[C@@H](N2CCN(c3ccc(C#N)cn3)CC2)C1=O 489067997 NOIJNUWHLMDXRF-MRXNPFEDSA-N 387.440 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 579445573 UCBGKTSFNJAGNQ-MRXNPFEDSA-N 377.489 -0.871 30 10 GBEE N#Cc1ccccc1S(=O)(=O)NCCNc1cc(N2CCOCC2)cnn1 585454758 JOGQQMNIWMYJMD-UHFFFAOYSA-N 388.453 0.575 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)CC1 593425436 HFZNBVYWSSWCAF-UHFFFAOYSA-N 398.533 -0.110 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCN2CCCS2(=O)=O)CC1 611372023 IEVXJXWCCWJLKX-INIZCTEOSA-N 385.534 -0.354 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCOC[C@H]2C2CC2)C1=O 766100466 HPPNYZIFFDMLHK-LBPRGKRZSA-N 379.369 -0.856 30 10 GBEE COc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1C#N 825090186 PLZPOQJSZNAVHL-LSDHHAIUSA-N 379.438 -0.206 30 10 GBEE C#CCN(CC(=O)NC[C@@]12COCCN1C(=O)COC2)C(=O)OC(C)(C)C 826107218 QVRARELQCFEHBJ-SFHVURJKSA-N 381.429 -0.399 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CN2Cc3ccccc3OC2=O)CC1 831579730 NLXKGXGFISOGKC-UHFFFAOYSA-N 392.437 -0.387 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 875222857 WTWWUBOGEGDCSJ-IAGOWNOFSA-N 387.484 -0.137 30 10 GBEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1121539940 WHMRRECMPJUEQT-XQQFMLRXSA-N 397.526 -0.281 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1151914838 POBRDYRKUYJKHK-LEWSCRJBSA-N 390.421 -0.702 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1289198008 PKWSQPGVFOQUTB-DGAVXFQQSA-N 388.486 -0.521 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)C)CC1 1300681963 CSTKYKCTAZWSPB-CABCVRRESA-N 397.549 -0.406 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301497083 NRQRVAIRTBPSPR-ZDUSSCGKSA-N 382.428 -0.152 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 1471450495 BLPFUXKTRRHQPC-UHFFFAOYSA-N 382.398 -0.415 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](c2nn[nH]n2)C1 1558077386 AGFMDLZOAVBIFH-SNVBAGLBSA-N 375.414 -0.356 30 10 GBEE C=CCNC(=O)NC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1567836408 HQDLMVNYTOSPNM-JWTRZGPZSA-N 376.457 -0.142 30 10 GBEE C#CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1638832351 NOUPAKVWHASXER-STQMWFEESA-N 388.829 -0.340 30 10 GBEE CN(Cc1ccccc1)C(=O)CNC(=O)CNc1c(C#N)c(=O)n(C)c(=O)n1C 1652212392 OSQFYGGTBNERQY-UHFFFAOYSA-N 398.423 -0.858 30 10 GBEE C#CCN1CCC(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739047910 UWRIEVHQTMZMCR-WXJALIKYSA-N 389.496 -0.310 30 10 GBEE C#CCN1CCN(c2nnc(COCC)n2Cc2cn(C3COC3)nn2)CC1 1760263573 HLBNPBPIQQMVKR-UHFFFAOYSA-N 386.460 -0.219 30 10 GBEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1=O 1853787875 CANGNEJWBIGKDX-HUUCEWRRSA-N 387.440 -0.370 30 10 GBEE CN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C[C@H]1C#N 2124630081 BVTLZPYUNJCVEF-OLZOCXBDSA-N 388.490 -0.019 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2267485067 DBQPAXVXCWNYPZ-NXEZZACHSA-N 388.276 -0.670 30 10 GBEE COCC[S@@](=O)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282021452 MPTSMHFVPSLQCV-SANMLTNESA-N 383.279 -0.099 30 10 GBEE CCS(=O)(=O)NCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282045941 DYHHQQUSXCVBIW-UHFFFAOYSA-N 386.283 -0.612 30 10 GBEE CC1(C)OB(c2cncc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)c2)OC1(C)C 2282174803 SFFPJWZNQZIJRP-STQMWFEESA-N 382.247 -0.732 30 10 GBEE CCC(CC)(CN)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282309001 YWPXDMFFEZZSAA-UHFFFAOYSA-N 387.315 -0.090 30 10 GBEE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282328974 GBZRACXOWNKNFF-SNVBAGLBSA-N 384.267 -0.772 30 10 GBEE C[C@H]1CCNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329687 PZUUXNMCLHHCSC-RYUDHWBXSA-N 384.311 -0.004 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)OC1(C)C 2282608146 QTPUORUXLZBQSY-HJQYOEGKSA-N 384.263 -0.725 30 10 GBEE C[C@H]1CNC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282850052 KMZXXJVGNPLDBU-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE CC(C)(C#CC(=O)O)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2313906250 NDGRSKWAQCODCV-JTQLQIEISA-N 376.431 -0.093 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)C1=O 268680669 LAGHPNYHVQWINR-OLZOCXBDSA-N 391.380 -0.093 30 10 GBEE COC[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CCCO1 289776441 PXBKPYBKNVZHNY-CVEARBPZSA-N 387.440 -0.088 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC)oc2C)CC1 434231172 KWWBRRGLYBDSJK-UHFFFAOYSA-N 384.458 -0.444 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](OCC3CC3)C2)CC1 459888425 SYQLLARZULGQRR-KRWDZBQOSA-N 392.500 -0.150 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1=O 580237061 YULODNCGVLVAAB-HOTGVXAUSA-N 399.451 -0.062 30 10 GBEE Cc1cc(NC(=O)C(=O)NCCN2C[C@@H]3CCCCN3C2=O)nn1CCC#N 595202526 ZFOWRBGMIDHFMN-AWEZNQCLSA-N 387.444 0.450 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 790493889 CJCSPJIXQHUXKQ-UHFFFAOYSA-N 384.414 -0.091 30 10 GBEE C#CCOCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806968518 DPRKPUSAASANAF-LSDHHAIUSA-N 385.420 -0.212 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NCC(F)(F)F)C(C)C)CC1 831584945 QNFPBQLUPIKYIY-LBPRGKRZSA-N 384.424 -0.225 30 10 GBEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CNC[C@@H]2C#N)C1 834511402 LEJHMTJHBLWRJU-IHRRRGAJSA-N 381.458 -0.080 30 10 GBEE COCC(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 846238313 CKRJBSJLWGKXDR-INIZCTEOSA-N 388.424 -0.633 30 10 GBEE CN(C)C(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1118251408 FISYFYPDBJQPKN-MRXNPFEDSA-N 387.440 -0.124 30 10 GBEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1262947571 OLEVKSZXGYWOJY-HZSPNIEDSA-N 389.460 -0.326 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@H]1CCOC1 1263541735 UMJFGBUPXIUXRZ-CQSZACIVSA-N 382.424 -0.548 30 10 GBEE C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[nH]c(=O)c1=O 1292060923 HHONRBIKAJEDOH-MCIONIFRSA-N 376.413 -0.623 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOCCOC)CC1 1300707424 YNJISKHDGJQQRA-UHFFFAOYSA-N 390.488 -0.181 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc(-n2cnnn2)c1)[C@@H]1CCS(=O)(=O)C1 1324334269 QNQUCZMGJAUTGE-CQSZACIVSA-N 388.409 -0.750 30 10 GBEE CO[C@@H](CS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCOCC1 1328143373 QBSNDJXOUXPKOY-BSZDNMLHSA-N 387.458 -0.126 30 10 GBEE C#CCN(C(=O)C(=O)N(C)Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1329636332 SDRQULBGCIAMFA-CQSZACIVSA-N 379.438 -0.303 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)N2CCC(CO[C@@H]3CCNC3)CC2)CC1 1335239570 JSTVDQIIVGOQEN-QGZVFWFLSA-N 377.489 -0.292 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1335736082 DTQPEIPDCWVDKQ-DLBZAZTESA-N 392.500 -0.314 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358886384 CSJNFVDFSXHNBE-BFHYXJOUSA-N 394.501 -0.031 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc([C@H]3CCCO3)nn2C)CC1 1476545267 QGLVQLOFNFUWDB-CQSZACIVSA-N 396.473 -0.111 30 10 GBEE C=CCN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)[C@H]1CCS(=O)(=O)C1 1530298219 WCGPMLWGYMIXQA-NSHDSACASA-N 388.471 -0.668 30 10 GBEE COC(=O)C1CCN(C(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1560168366 JEUBXXPSHVIKSO-IFIJOSMWSA-N 383.470 -0.343 30 10 GBEE C#CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OC 1570221536 OZGPNFCUTGQSPI-ZDUSSCGKSA-N 394.405 -0.228 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595551849 WQLJBBLQBDDIED-OAHLLOKOSA-N 389.460 -0.091 30 10 GBEE COC(=O)/C=C1\SCC(=O)N1CCCN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1655683986 UDBFAOIPEBLOTC-ZFAMCHSWSA-N 399.494 -0.164 30 10 GBEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1690497173 JEXAIRQXXOJLBS-CQSZACIVSA-N 394.476 -0.040 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1705902585 HRISDCKJDZBWMR-AWEZNQCLSA-N 392.460 -0.621 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](COC)OC)CC1 1740694790 UJCLEZPCPMPNLT-CABCVRRESA-N 376.461 -0.354 30 10 GBEE Cn1c(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc(=O)n(C)c1=O 1856515437 GCHWCJRDSVATIV-QWHCGFSZSA-N 385.424 -0.549 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2cnccn2)C1=O 1857147728 VCLULVLOJIJAMO-OAHLLOKOSA-N 378.396 -0.300 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNS(=O)(=O)CC#N)C1 2006287442 CLSBTPWYBIODDK-LLVKDONJSA-N 381.476 -0.146 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CNC(=O)C2)OC1(C)C 2267709761 HPTQABSMSHYJKP-VIFPVBQESA-N 387.292 -0.250 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NC(C(=O)O)C(=O)O)OC1(C)C 2269020148 KOSNRWCVHSANND-UHFFFAOYSA-N 391.232 -0.137 30 10 GBEE CN(C[C@H]1CCOC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282301617 GKGICLDYFXMWCX-LLVKDONJSA-N 386.283 -0.229 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C2CNC2)C1 2282339852 YERXDENOEVZDCK-UHFFFAOYSA-N 382.295 -0.441 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CO1 2282847424 YSBHFXATQMSPLJ-GHMZBOCLSA-N 386.283 -0.088 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@H]1C(=O)O 2284416874 DCYBHHJGWMXELG-JOYOIKCWSA-N 385.251 -0.187 30 10 GBEE CN1C[C@H](C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)N(C(=O)OC(C)(C)C)CC1=O 2368828844 WUAUVOFTFAIXHN-MELADBBJSA-N 377.445 -0.127 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CC(OCC)C3)C2)CC1 459885951 NLCFSGGHYXYXMX-UHFFFAOYSA-N 392.500 -0.150 30 10 GBEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN=c1cc[nH]cc1 460570649 FCFLJGQQPNOCIN-UHFFFAOYSA-N 390.407 0.431 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCC(=O)OC(C)(C)C)CC1 557768347 XMFLRXOTORNKRK-UHFFFAOYSA-N 382.461 -0.719 30 10 GBEE CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1CN 593781973 LHRPPLNAGBQJMP-HZPDHXFCSA-N 386.456 -0.576 30 10 GBEE CNC(=O)[C@@H](C#N)C(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 850763415 DSDBRTSDUNZOMN-QWRGUYRKSA-N 385.442 -0.277 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCC(N2CC[C@H](O)C2)CC1)c1cc[nH]n1 856253352 LAELJBHAYVUDKX-AWEZNQCLSA-N 393.444 -0.249 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861782862 MVDWGIUWGRYZOT-UKMLZYKCSA-N 392.456 -0.523 30 10 GBEE N#CCC1(CNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 1117724335 FXXXXHCNXRSHBH-AWEZNQCLSA-N 398.485 -0.551 30 10 GBEE N#CCSCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1282304662 LTPCXYZVUCIWEZ-ZOBORPQBSA-N 380.470 -0.417 30 10 GBEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1299891137 KQAMWBUIOXPPFX-IYOXOMEYSA-N 383.426 -0.681 30 10 GBEE N#C[C@]12CN(C(=O)CCNS(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1304272308 RCUXNUQQZOHTTI-XJKSGUPXSA-N 397.478 -0.248 30 10 GBEE CCN1CCN(CCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 1323927796 XDQRAFGWQJMTLO-UHFFFAOYSA-N 396.455 -0.169 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 1325432840 PQIWKQZDDOCESJ-SFHVURJKSA-N 398.463 -0.449 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 1325639850 FYGWQJWBSCHBKD-CYBMUJFWSA-N 391.453 -0.847 30 10 GBEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cn1 1326734983 RQEDDZAEACDVAN-GOSISDBHSA-N 379.380 -0.184 30 10 GBEE C=CCN(Cc1ccccc1F)C(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 1330418757 MMHRQAHNGOPZMH-UHFFFAOYSA-N 398.460 -0.053 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC[C@@H]2CCSC2)CC1 1334560958 WJCQDILNVZCGIH-CYBMUJFWSA-N 385.519 -0.594 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CCOCC3)CO2)C1=O 1335602762 SQVPULKNXYLLLL-CABCVRRESA-N 379.457 -0.066 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1338081629 LJBFTNCZLZTMKO-OAHLLOKOSA-N 376.457 -0.821 30 10 GBEE N#C[C@@]12CN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C[C@H]1CS(=O)(=O)C2 1536179888 NMFPKZLGAIEZLS-JSGCOSHPSA-N 387.483 -0.659 30 10 GBEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1539548142 HODRYIQIHHREAN-HNNXBMFYSA-N 396.455 -0.216 30 10 GBEE CCNS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1585007149 GGXOSELYLITTOI-UHFFFAOYSA-N 377.419 -0.208 30 10 GBEE Cc1ccc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)cc1S(=O)(=O)NCC#N 1626893755 FPXFYQMXVZCLFO-OAHLLOKOSA-N 391.453 -0.136 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]23COCCN2C(=O)OC3)cc1 1632440565 RXDKRGUNFJSOGJ-QGZVFWFLSA-N 393.421 -0.451 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)CC(=O)OC)s1 1634987616 CMLNCIHXNVFROK-SNVBAGLBSA-N 376.456 -0.205 30 10 GBEE C#CC[C@]1(C(=O)N2CC(NS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1642821679 PQHKEBUQZJUFCB-MRXNPFEDSA-N 386.474 -0.217 30 10 GBEE C#CCN(CC(=O)NCCc1nnc2n1CCNC2=O)C(=O)OC(C)(C)C 1649372385 VMPQJJHEZMDJAF-UHFFFAOYSA-N 376.417 -0.450 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1 1722703178 WWZHRXSQFZVINK-UHFFFAOYSA-N 389.460 -0.629 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1740600091 INLLJYRRRSWNME-LLVKDONJSA-N 378.462 -0.456 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)CCO1 1770748795 RQHYCTZPVDPYOD-KGLIPLIRSA-N 399.411 -0.133 30 10 GBEE C#CCCN1CCC(NC(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 2204050777 SKLBUQBRMLAUQW-HRCADAONSA-N 381.473 -0.069 30 10 GBEE CN(C(CO)CO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267410002 CTFDHYXJDHGECW-UHFFFAOYSA-N 392.308 -0.443 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC(CO)CO)OC1(C)C 2267710315 SKIYSQFPXGUDJT-UHFFFAOYSA-N 392.308 -0.538 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CCC(O)(C(N)=O)CC2)OC1(C)C 2281805112 UGIQPUFNUORWJJ-UHFFFAOYSA-N 381.263 -0.105 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(C)CNC1 2282341514 TXLYDARDZVURDB-UHFFFAOYSA-N 384.311 -0.003 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2CC1(CN)C2 2282867685 CAIGNXLZFMVXPF-UHFFFAOYSA-N 382.295 -0.169 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1[C@H]2COCC[C@H]21 2359281798 DVCGUWJDPVIEKN-VWYCJHECSA-N 384.267 -0.573 30 10 GBEE CC1(C)O[C@@H]2[C@H](COS(C)(=O)=O)O[C@@H](n3cnc4c(O)ncnc43)[C@@H]2O1 245238819 BIHMALHFZFJBCY-OJPPFWEXSA-N 386.386 -0.074 30 10 GBEE biogenic C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 475706899 BIVSZZPNPTXUBW-UHFFFAOYSA-N 384.387 -0.467 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 491048618 JTXIOQZPNWDBSL-MHZLTWQESA-N 392.481 -0.191 30 10 GBEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)nc1 532394307 CPKUCWAVOBQRFE-UHFFFAOYSA-N 382.445 -0.029 30 10 GBEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 539162091 SZSGPTZUKFRPJC-NSHDSACASA-N 382.446 -0.402 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CC2)C(=O)C1 748504257 LMEZAVXHJWOMRO-UHFFFAOYSA-N 376.438 -0.052 30 10 GBEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 859025016 UYQYJYLXROGSSB-OAHLLOKOSA-N 388.490 -0.681 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2cc(Br)no2)CC1 878315089 FTNJTHNVYDWZNP-JTQLQIEISA-N 393.263 -0.444 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H]2CCCC(C)(C)O2)CC1 885349000 JIDMONUPYQQGQC-CQSZACIVSA-N 393.531 -0.251 30 10 GBEE C#CCN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 886585262 OJHDVVCXWXSAIY-HOCLYGCPSA-N 381.498 -0.422 30 10 GBEE C=C1[C@@H](C(=O)N2CCOC[C@@H]2C[C@H](C)O)[C@H]1C(=O)N1CCOC[C@@H]1C[C@H](C)O 907416393 IIBHGMVHCMCSHM-IGEIJWFLSA-N 396.484 -0.215 30 10 GBEE C#CC[C@H](CCOC)NC(=O)C(=O)N1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 931092977 HIVHQRXQHNPVPK-YYIAUSFCSA-N 382.457 -0.048 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1OC 941975615 QQWHYULQHDPHHR-JLNYLFASSA-N 375.429 -0.004 30 10 GBEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCc3cccc(OCC#N)c3)CCN2C1=O 1117333947 CWGSEJLORMHUAO-OAHLLOKOSA-N 399.407 -0.300 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1117365001 APZNLFUHCVGMMT-RRFJBIMHSA-N 397.497 -0.602 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O 1282692006 OLEQIVUDVUZDKH-OWYFMNJBSA-N 392.456 -0.922 30 10 GBEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nnn(C)n2)CC1 1300696084 STTIUFDBYSOCBR-UHFFFAOYSA-N 378.444 -0.024 30 10 GBEE C#CCN(C(=O)C(=O)Nc1c(C)nn(CCOC)c1C)[C@@H]1CCS(=O)(=O)C1 1321625414 MGYZRBPDVZQWFZ-CQSZACIVSA-N 396.469 -0.266 30 10 GBEE CC(C)(CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)N1CCCC1 1329831222 KLQUNQPFZWNHTJ-HNNXBMFYSA-N 375.473 -0.050 30 10 GBEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1332038793 WILDVPLYXSFCGQ-LSDHHAIUSA-N 376.461 -0.601 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 1332995120 BIGSZBJWEUDCDD-HUUCEWRRSA-N 385.486 -0.537 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1335736084 DTQPEIPDCWVDKQ-IRXDYDNUSA-N 392.500 -0.314 30 10 GBEE Cn1c(=O)c2c(ncn2CC#CCN2C(=O)c3ccccc3C2=O)n(C)c1=O 1458837237 STOGXXZTFABGAN-UHFFFAOYSA-N 377.360 -0.267 30 10 GBEE CC(C)C#CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1572842708 FOPUGEYKYFOAGY-TVFCKZIOSA-N 393.484 -0.787 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1690671086 OTFSCFWJTXHFTO-KGLIPLIRSA-N 397.501 -0.045 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705900929 UQAJPQADYCDAQL-GFCCVEGCSA-N 395.489 -0.150 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1740632276 ZBDDSQBGYKGEOC-BBRMVZONSA-N 381.458 -0.888 30 10 GBEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1760461775 GMGBPCUMEZDWJE-GFCCVEGCSA-N 383.474 -0.209 30 10 GBEE Cn1c(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc(=O)n(C)c1=O 1856515436 GCHWCJRDSVATIV-OLZOCXBDSA-N 385.424 -0.549 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CC1 2193527387 PLAFAZLNWJDMGI-CQSZACIVSA-N 384.477 -0.292 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)C(N)=O)cc2F)OC1(C)C 2282321205 UJTGYQHQEWUNFB-LBPRGKRZSA-N 388.226 -0.751 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CN 2282326244 PNJYQSAJZQGPFS-DCAQKATOSA-N 383.283 -0.918 30 10 GBEE CNC(=O)C(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331029 ISKZOIOMRUJPDA-UHFFFAOYSA-N 386.283 -0.478 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN[C@@H]2CC[C@H]21 2282418106 MIEVRDGVEDZGNB-GHMZBOCLSA-N 383.283 -0.761 30 10 GBEE Cc1nc(S(=O)(=O)N2C[C@@](C)(O)CO2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504631 RNVSMXDQICCXRQ-OAHLLOKOSA-N 387.267 -0.285 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1NC[C@@H](O)[C@H]1O 2282595547 WAVJFUTVDPJWAF-UMNHJUIQSA-N 383.279 -0.826 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CN 2282860788 GLMPYKGQKAJKGG-VHSXEESVSA-N 389.262 -0.826 30 10 GBEE CCN1CC(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2368587380 WCKGOWWVAUOXID-UHFFFAOYSA-N 384.311 -0.051 30 10 GBEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCOCC2)CC1 330577408 OXPLHRGDAMEFSH-VQIMIIECSA-N 379.505 -0.094 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)CC1 563131575 LUEUZCYDBSGGJG-UONOGXRCSA-N 380.445 -0.998 30 10 GBEE CS(=O)(=O)NC[C@H]1COCCN1C[C@H](O)COc1ccc(CC#N)cc1 599662257 IOXGYMDQJARPAQ-HOTGVXAUSA-N 383.470 -0.258 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CO)C1 600768341 VXOHWXOWEOPTRV-UONOGXRCSA-N 379.504 -0.414 30 10 GBEE C=C(C)Cn1c(N2CCN(CC(N)=O)C(=O)C2)nnc1C1(OC)CCOCC1 669358012 JAWUDDRONYZBFU-UHFFFAOYSA-N 392.460 -0.360 30 10 GBEE C#CCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 731213781 RYCNUKOFFLURBG-KGLIPLIRSA-N 376.434 -0.234 30 10 GBEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(C[C@H]3CCCO3)c2=O)cn1 732561501 OCYLNQKNPIZXFK-CYBMUJFWSA-N 387.465 -0.446 30 10 GBEE CC[C@H](C)[C@@H](NC(=O)C#CC1CCNCC1)C(=O)NCCN1CCOCC1 852860641 TYIIONKQYJYYHH-QFBILLFUSA-N 378.517 -0.031 30 10 GBEE C=CCn1c(-c2cccnn2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 908701599 AXJFEVORZPEZLV-UHFFFAOYSA-N 398.471 -0.098 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)OCC)C1=O 910691803 FHIBYRYYNFYMDI-LXTVHRRPSA-N 377.441 -0.111 30 10 GBEE CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1116031809 IEWYBLLUBLLHNR-HRZQKCLFSA-N 384.458 -0.309 30 10 GBEE 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C#CCN(C(=O)C(=O)NC[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1344821412 XREPCYIBLZAWKV-KBPBESRZSA-N 381.454 -0.353 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1349322309 ROHFXJARXBLHDM-HZPDHXFCSA-N 387.436 -0.063 30 10 GBEE N#C[C@@]12CN(C(=O)CCOc3ccc(C(N)=O)cc3)C[C@H]1CS(=O)(=O)C2 1456225771 WLNNKBHBUXQHLR-GUYCJALGSA-N 377.422 -0.049 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1565247048 LRYXEQFHCFVJBW-JKSUJKDBSA-N 378.454 -0.015 30 10 GBEE COCc1nnc2n1CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1585567840 WBMBXUAYMMHZJR-UHFFFAOYSA-N 390.425 -0.495 30 10 GBEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1619909738 ICDGDYYQULXPCS-GOSISDBHSA-N 393.492 -0.151 30 10 GBEE COC(=O)CCN(CC#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 1635948927 KSYNLVPOKPWSOW-UHFFFAOYSA-N 388.428 -0.179 30 10 GBEE C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 1639206438 MPTGAAGVEPQOLG-WCQYABFASA-N 385.467 -0.082 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CCSc2ncnc3[nH]cnc23)CC1 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CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(CCC#N)CC2)cc1 1152067742 CKORLGVVVFNZNJ-UHFFFAOYSA-N 393.469 -0.019 30 10 GBEE CO[C@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC[C@@H]1C 1261805634 OGMYRRGMHKQTNS-GWCFXTLKSA-N 375.385 -0.913 30 10 GBEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CCO[C@@H](C(=O)OC)C1 1262961052 VVYGQZSLXYRDRV-NEPJUHHUSA-N 381.458 -0.384 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC1CS(=O)(=O)C1 1320634620 WXFZQEHBLUTYGR-LLVKDONJSA-N 385.467 -0.224 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@H]4OCCC[C@H]4C3)C2)c(=O)nc1O 1328849918 ZUBPQIUYZZMZAF-SMDDNHRTSA-N 387.396 -0.769 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C)(N2CCOCC2)CC1 1330761172 RLIUYAANRCECSW-UHFFFAOYSA-N 387.502 -0.583 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CCN1C1CC1 1332600135 ICRZFDNVGFPGNI-FGTMMUONSA-N 389.500 -0.055 30 10 GBEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnn(C)n2)CC1 1359173951 SLTJDKYAPFNATA-NSHDSACASA-N 395.493 -0.138 30 10 GBEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1359287714 RUERLGCGGITFKQ-GFCCVEGCSA-N 383.474 -0.163 30 10 GBEE C#CC1(O)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1456811939 WVLQIHFMQLBFBO-GFCCVEGCSA-N 396.421 -0.184 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1464320947 RMIDQOUKLXAEFG-MCIONIFRSA-N 392.499 -0.761 30 10 GBEE N#CCC(=O)N1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 1465872267 HYBHTSKAFCAVDV-UHFFFAOYSA-N 383.405 -0.531 30 10 GBEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(=O)N2)CCO1 1505321229 KOXWXMZWHKAUTO-OLZOCXBDSA-N 396.411 -0.067 30 10 GBEE C=CCNC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1597689949 ZEROKHKMIJDJAS-LBPRGKRZSA-N 375.834 -0.602 30 10 GBEE COCC(COC)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1626436656 RYELNORSHMVKJB-ZCXUNETKSA-N 380.445 -0.292 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCCCNC(C)=O)C1 1739688652 KPFSRGZKUQNLGH-NCOADZHNSA-N 381.473 -0.038 30 10 GBEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848965978 KPNFBNQEQQYVBH-INIZCTEOSA-N 376.438 -0.190 30 10 GBEE CS(=O)(=O)N1CC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)C1 1857220824 YSYYMUFPIGMLQS-DZGCQCFKSA-N 394.497 -0.121 30 10 GBEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2174784890 SNLHPQHMDWXCIL-GMTAPVOTSA-N 398.407 -0.034 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1C[C@H]2CCO[C@@]2(C#N)C1 2237869859 VOCRNFGRGMKGEJ-MTVAPTMQSA-N 381.429 -0.141 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)[C@H](O)[C@H]2CO)s1 2281939188 CKWSMKYCQDQWLD-FRRDWIJNSA-N 383.275 -0.106 30 10 GBEE Cn1nc(C(=O)NCC2(O)CC(N)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282042152 AXIQPOCDLOPVSH-UHFFFAOYSA-N 384.673 -0.045 30 10 GBEE Cc1c(C(=O)N[C@H](C)CS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282059805 NNOWUIPUBGXYNN-SECBINFHSA-N 386.283 -0.565 30 10 GBEE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282291122 DNDIKSQFVDCDRZ-LLVKDONJSA-N 381.263 -0.110 30 10 GBEE COCC1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282316440 CFOLPGPRHQXUJQ-UHFFFAOYSA-N 386.283 -0.181 30 10 GBEE COC[C@H]1CC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282318986 NJQTWNFJWHPIJB-GHMZBOCLSA-N 386.283 -0.182 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCOC[C@@H]1O 2282331978 UMBXAPUMOQYFOG-QWRGUYRKSA-N 387.267 -0.853 30 10 GBEE Cc1nc(S(=O)(=O)N[C@H](CO)[C@@H](C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510954 GZVUPGACMSUVOD-MWLCHTKSSA-N 389.283 -0.952 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NOC1CCOCC1 2282832474 PRWKOSDACRKPTK-UHFFFAOYSA-N 388.255 -0.497 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CC(O)(CO)C2)OC1(C)C 2282846048 CLZNIIIWIFWDLM-UHFFFAOYSA-N 383.275 -0.145 30 10 GBEE CN1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H]2C[C@H]21 2282854442 RLGYQKQLPSZHEX-CHWSQXEVSA-N 382.295 -0.204 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C2(N)CC2)C1 2282861509 OXTHAYDYIDDJMJ-UHFFFAOYSA-N 383.283 -0.774 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]2NCC[C@@H]21 2359283084 GZNMKIOFLZAICK-SRVKXCTJSA-N 382.295 -0.252 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1[C@H]2CN[C@@H]1C2 2359283165 NSUCZGHZSWAIEY-IJLUTSLNSA-N 382.295 -0.395 30 10 GBEE Cc1nn(C)c(C)c1[C@H]1[C@H](/N=C(/O)N2CCS(=O)(=O)CC2)CC(=O)N1C 329784830 WJWCOSBDLRRZDI-IUODEOHRSA-N 383.474 -0.047 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCOCC2(CC2)C1 349460938 QBVBWHZOISAUON-CYBMUJFWSA-N 379.504 -0.008 30 10 GBEE CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 408007015 FJMBVIJQOOLHFF-UHFFFAOYSA-N 378.863 -0.018 30 10 GBEE C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 460026607 YZKPEBZUQYYLOU-UHFFFAOYSA-N 388.424 -0.634 30 10 GBEE Cn1c(NC[C@H]2CS(=O)(=O)c3ccccc3O2)c(C#N)c(=O)n(C)c1=O 565948066 JGALGSLOFVGAAH-JTQLQIEISA-N 376.394 -0.398 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 573700192 XYZDZOLEBCCPBN-NSHDSACASA-N 398.466 -0.470 30 10 GBEE 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HOQVGCMVZJWOPN-UHFFFAOYSA-N 389.499 -0.393 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CC3(CO[C@@H](C)C3)C2)CC1 933522737 RZTJCJGTHRCWGL-XVTSOASTSA-N 378.473 -0.493 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@]2(CCOC2)O1 1117359196 HTDPPPVHMALCKS-XRNHYFOTSA-N 392.412 -0.965 30 10 GBEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CN(C)CCN1C 1147350903 DNEUQBZECHPZIV-CJNGLKHVSA-N 379.486 -0.413 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1 1175514626 BIUPXDBGXUPBPJ-UHFFFAOYSA-N 393.425 -0.940 30 10 GBEE C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1261767895 PEFLIIHCWGXURS-ZDUSSCGKSA-N 378.404 -0.110 30 10 GBEE C#CCN(C(=O)C(=O)Nc1nn(C)cc1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1326044244 DTKYKYZJPICAER-NSHDSACASA-N 396.425 -0.816 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1328854694 CRVONYQAFUBMIR-SJORKVTESA-N 385.468 -0.431 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 1333167770 GXXPNCOIVQFCDT-STQMWFEESA-N 378.454 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382.464 -0.169 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2([C@H]3CCCCO3)CCCO2)CC1 1528712565 KRKALIWLYJZAOD-NVXWUHKLSA-N 385.486 -0.284 30 10 GBEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NS(C)(=O)=O 1556179133 RQYRNIJXAVEZOP-LLVKDONJSA-N 375.447 -0.125 30 10 GBEE C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1c(O)nnc1O 1574199808 RSPHNADRVXQRGN-AGIUHOORSA-N 379.417 -0.080 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 1633712747 ICWOALHSOJTVGY-GOEBONIOSA-N 386.474 -0.881 30 10 GBEE Cn1c(=O)[nH]c(N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O 1642731574 JWRBQOQAJOBQSQ-UHFFFAOYSA-N 377.401 -0.229 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)NCCO3)CC1 1650848942 OMIVICFGHWRZRL-UHFFFAOYSA-N 392.437 -0.966 30 10 GBEE Cn1c(=O)[nH]c(NCCNS(=O)(=O)c2cccc(Cl)c2)c(C#N)c1=O 1651457338 PHEHGPWVZGBMTR-UHFFFAOYSA-N 383.817 -0.011 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc3c(nc2O)CCC3)CC1 1687099598 SRWKUEQXYMGOET-UHFFFAOYSA-N 393.469 -0.429 30 10 GBEE 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CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 1261862479 XPPOMCQGJAQQRB-MRXNPFEDSA-N 385.490 -0.521 30 10 GBEE C=CCOCC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1282570926 OWYDPIMGFVKNOL-OCABDXPQSA-N 387.440 -0.096 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H](C)n2ncnc21 1327613069 IUTXQQNKKZGKCH-UTUOFQBUSA-N 390.491 -0.233 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H](CC(=O)OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1328262255 URIBCVUVBJXASS-UONOGXRCSA-N 384.454 -0.659 30 10 GBEE CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1329132902 QXWXBHJOFFSQSS-HNNXBMFYSA-N 383.412 -0.417 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1329368198 FVPAZYKFAFVRQG-OLZOCXBDSA-N 383.470 -0.849 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)C1CCN(C)CC1 1340743787 VYFFWYSQISMYOX-INIZCTEOSA-N 379.457 -0.419 30 10 GBEE CNC(=O)[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1447561255 VTAROMWUELYZNU-GJZGRUSLSA-N 399.407 -0.263 30 10 GBEE CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(C#N)[nH]1)S(C)(=O)=O 1522255207 YTGLPOKAOXOMEL-BNOWGMLFSA-N 379.442 -0.361 30 10 GBEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1542211407 WWYWFQPLJABNSC-CYBMUJFWSA-N 388.442 -0.247 30 10 GBEE Cc1nnc(N2CCS(=O)(=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612614434 QZDLDWUURHIWHE-BUHFOSPRSA-N 380.430 -0.652 30 10 GBEE Cn1cnc(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1653213210 ZNAHQWMXANMNIJ-UHFFFAOYSA-N 380.455 -0.201 30 10 GBEE CC(=O)N1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1 1660760085 PEDGVTNDHIOPHD-UHFFFAOYSA-N 381.414 -0.091 30 10 GBEE C#CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)CCC1 1702198104 LNOGVOKDUTVTMX-FPCVCCKLSA-N 391.468 -0.319 30 10 GBEE C#CCN(c1nnc(COCC)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722370763 PWYHGLZBRMMMML-GJZGRUSLSA-N 398.485 -0.143 30 10 GBEE Cn1cc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)c(=O)n(C)c1=O 1853677552 OMVFVPZTLQWSQH-CQSZACIVSA-N 387.440 -0.302 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1ccc(C#N)nc1 2233966207 XUIKAKAPJJUDGN-IHRRRGAJSA-N 398.441 -0.427 30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](O)CO)OC1(C)C 2255767036 JASMNXJQPJGAQW-NSHDSACASA-N 377.293 -0.180 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)OC1(C)C 2267476716 BVDOCWWDIAPYFZ-SECBINFHSA-N 387.292 -0.055 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cnccn1 2282416156 RJZZLXHKUXGMGW-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(F)(CN)C1 2282418754 QHPWQTPKBWJWRA-UHFFFAOYSA-N 388.274 -0.173 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(N)CCOC2)n1 2282490806 KYJNKQNXACCMAF-HNNXBMFYSA-N 386.283 -0.885 30 10 GBEE Cn1nc(C(=O)NC2[C@@H]3CS(=O)(=O)C[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282629544 XBWDQCPCHVDWSN-NXEZZACHSA-N 381.263 -0.508 30 10 GBEE C[C@H]1CNCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282853695 HKVSNWDAHVQSFG-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)NC(=O)NCc2cccs2)CC1 27560271 OWXGTGGLLPVWSS-UHFFFAOYSA-N 379.486 -0.006 30 10 GBEE CCN(C1CCN(/C(O)=N/[C@H]2COC[C@H]2n2ccnn2)CC1)S(C)(=O)=O 329483507 QEHFVVABVJZJMS-UONOGXRCSA-N 386.478 -0.122 30 10 GBEE CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@]2(C#N)CCOC2)C1 349499538 DJZXFDLZALXKHL-KBPBESRZSA-N 395.503 -0.629 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCSC[C@H]2CCO)CC1 410953176 DBTKEGLVNCWOQY-OAHLLOKOSA-N 389.481 -0.072 30 10 GBEE CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1C 558051204 DQSGSXOZQSZHRF-UHFFFAOYSA-N 396.455 -0.282 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CCO1 578248971 BEJVEACQDIFGQO-HUUCEWRRSA-N 382.417 -0.015 30 10 GBEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 580780986 NNCORUAPYGXBHO-CYBMUJFWSA-N 378.454 -0.229 30 10 GBEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 590281232 NGBOVGYCGRUERL-GJZGRUSLSA-N 379.424 0.548 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(F)(F)C[C@@H]1CO 594636236 WPCCYWHUIBVSAT-SNVBAGLBSA-N 375.419 -0.807 30 10 GBEE Cc1cc(NC(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)nn1CCC#N 595201085 MXYJGSVLDYVQGB-ZDUSSCGKSA-N 375.433 0.258 30 10 GBEE C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1 728570562 FICOYYCTUMBGAS-OAHLLOKOSA-N 385.468 -0.260 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 742279230 SKTCIESCICIJSH-CYBMUJFWSA-N 395.466 -0.312 30 10 GBEE C#CC[C@@H](CO)NC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 854547148 AMOMZGBWNAWPOT-QWHCGFSZSA-N 386.470 -0.232 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 854774943 YHAICHYWFHVUQP-DZGCQCFKSA-N 381.454 -0.674 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2SC)CC1 895512181 GQYVFHGTWBZZCX-MCIONIFRSA-N 390.531 -0.310 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CCCS1(=O)=O 1133180944 UYDQVRRIOZISCD-NSHDSACASA-N 385.467 -0.191 30 10 GBEE C#CCN(C(=O)C(=O)NCCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1258400236 WDGYZPINIZDLDK-AWEZNQCLSA-N 385.486 -0.600 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4COC[C@@H](C3)O4)CC2)c(F)c1 1324861597 CQFDNIHXAJWCIY-GASCZTMLSA-N 388.399 -0.028 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 1325448929 LYTVBTHTRZUFPV-HNNXBMFYSA-N 379.438 -0.917 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(C(COC)COC)CC2)CC1 1345592879 ZMPQBFKSEVMUQW-UHFFFAOYSA-N 381.473 -0.831 30 10 GBEE N#Cc1cn(C2CN(C(=O)c3ccc(N4CCOCC4)nc3)C2)c(=O)nc1O 1348483457 YCUKORCISQQMBR-UHFFFAOYSA-N 382.380 -0.251 30 10 GBEE C[C@@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 1439712361 XKUWZAPRQWCQID-QGZVFWFLSA-N 392.437 -0.438 30 10 GBEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN4CCOC[C@@]4(CO)C3)CC2)o1 1456234790 PFPFQRJQNWJYBB-IBGZPJMESA-N 389.456 -0.023 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1508416097 DNAVTHOLMBDAOP-CHWSQXEVSA-N 398.489 -0.114 30 10 GBEE C#CCOCCN(C)C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1608103248 CNLYMDYMTVIJOS-UHFFFAOYSA-N 387.483 -0.229 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c(=O)n1CCO 1614875471 LZCPSLLESMIXNR-XJKSGUPXSA-N 392.456 -0.106 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 1636475796 XQDRSSOIBZOPGJ-UHFFFAOYSA-N 382.442 -0.356 30 10 GBEE N#C[C@@]12CN(C(=O)NCC[C@H]3CCCS3(=O)=O)C[C@H]1CS(=O)(=O)C2 1638038990 GTDWKBAYBKMRHG-SCRDCRAPSA-N 375.472 -0.467 30 10 GBEE CN1CC2(CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)OC1=O 1639379949 UWPODOJUMKWJCE-UHFFFAOYSA-N 378.410 -0.222 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 1644281538 FJHNEFCKDSNTJM-UHFFFAOYSA-N 376.442 -0.498 30 10 GBEE C#CCN(C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1684251099 DGBDXZMXNRHYFP-JSGCOSHPSA-N 378.472 -0.978 30 10 GBEE C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(=O)NCC(F)F)nn1 1757794449 PMNNXMQZWXWCOE-FOGDFJRCSA-N 382.371 -0.293 30 10 GBEE N#CCC(=O)N1C[C@@H](CN2CCN(CCn3ncccc3=O)CC2)CCC1=O 1854941958 VNRXMZNIHGWCKI-MRXNPFEDSA-N 386.456 -0.460 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(=O)NC1CC1 2282337364 KWEKABVAABRMJC-UHFFFAOYSA-N 384.267 -0.724 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CC(O)(CN)C2)OC1(C)C 2282491367 LFRLIQQUTOLCBF-UHFFFAOYSA-N 382.291 -0.179 30 10 GBEE C[C@H](O)[C@@H]1CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282834143 PWDXLPMYZVZNQR-QWRGUYRKSA-N 386.283 -0.352 30 10 GBEE C[C@H]1CNCC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838446 OOJXMHCQJZMHGU-WCQYABFASA-N 384.311 -0.004 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCOC1 2282846434 JREVNHSPIJZSTP-LLVKDONJSA-N 386.283 -0.181 30 10 GBEE CN(C[C@@H]1CCNC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854008 MDRNEYAGPXJCFQ-GFCCVEGCSA-N 384.311 -0.051 30 10 GBEE CON([C@H]1CCNC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282857137 DDQZHZJKNBAUPQ-NSHDSACASA-N 386.283 -0.367 30 10 GBEE C[C@H]1C(=O)N(C)CN1S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N 349621817 QTRDSUMDYNLCAF-LBPRGKRZSA-N 394.519 -0.220 30 10 GBEE 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384.479 -0.018 30 10 GBEE C#CCN(C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1323609077 HRSXDSYVQLHNJS-JKSUJKDBSA-N 399.513 -0.748 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCS(C)(=O)=O 1347668553 WKXOHHWJDHFINN-WCVJEAGWSA-N 381.498 -0.233 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C2CCN(C(C)C)CC2)CC1 1348436297 SYUWFKDLLAMFAJ-QGZVFWFLSA-N 376.501 -0.136 30 10 GBEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cn1 1466841167 KPNIRKZLLNDWGI-UJQWXSSLSA-N 391.453 -0.031 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1468771563 MIEHSCBPHYOOPI-UHFFFAOYSA-N 391.453 -0.116 30 10 GBEE N#C[C@@]12CN(C(=O)NC[C@H](n3cncn3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1479113684 YVVZUURAIGWMTN-NHCYSSNCSA-N 392.363 -0.039 30 10 GBEE C=CCNC(=O)NC(=O)CN[C@H](CC)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1481834046 HDODJVRENKLXTD-KNCOVGOOSA-N 382.461 -0.466 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 1524477376 PENUPJSOBYPSGJ-UHFFFAOYSA-N 396.455 -0.276 30 10 GBEE 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396.322 -0.027 30 10 GBEE C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H](C)CO 410863568 IWIPQJRIHIFGAX-KGLIPLIRSA-N 375.429 -0.808 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 468271161 AWZJGBDGWONQCE-UHFFFAOYSA-N 376.461 -0.047 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 659886968 UKSVQSRTDDLHTG-KRWDZBQOSA-N 389.518 -0.180 30 10 GBEE C#C[C@H]1COCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 838480116 ASMQQOYCPOWAHO-LBPRGKRZSA-N 382.398 -0.083 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 858356066 RHTOOSZVGUAZKT-LBPRGKRZSA-N 379.446 -0.397 30 10 GBEE CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1117586121 ANDUMUYHZMXAKD-NSEOQGGISA-N 378.429 -0.195 30 10 GBEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCNC(=O)CC3)C2=O)cc1 1261131290 DJNAMCPZRFOSFW-HNNXBMFYSA-N 383.408 -0.482 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 1310166692 SUDSRXVAEADBPV-UHFFFAOYSA-N 393.425 -0.365 30 10 GBEE 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CC[S@](=O)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267378244 NUHWTJBKESSCCU-DEOSSOPVSA-N 391.324 -0.234 30 10 GBEE C[C@H](O)[C@@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471937 LOXFPUVUMPQPQI-VHSXEESVSA-N 392.308 -0.397 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CNC[C@H](F)C1 2282320419 IHGYARHUCAPSDB-ZJUUUORDSA-N 389.262 -0.907 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)C[C@@H](F)C1 2282338020 OQVPNRFGDWIIRI-MNOVXSKESA-N 389.258 -0.187 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCC2(C)CNC2)n1 2282506378 RGZFHQUWWMHBTK-UHFFFAOYSA-N 384.311 -0.003 30 10 GBEE Cn1cc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)cn1 2282849046 VUNLUQCZHKUCBM-UHFFFAOYSA-N 381.267 -0.069 30 10 GBEE CN([C@H]1COC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857563 JVVIPTNFBXTXBD-WDEREUQCSA-N 387.267 -0.901 30 10 GBEE CO[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]1C 2282860921 IEUDBINYAKNMBJ-MNOVXSKESA-N 386.283 -0.088 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2CNC[C@@H]21 2282863700 VIPZEYQMXOWJSZ-SDDRHHMPSA-N 382.295 -0.395 30 10 GBEE C[C@H](O)[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284365809 AYVVGALOKMUEJW-IONNQARKSA-N 387.629 -0.064 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1=O 447672548 QFWLHFVGXVYRFT-UHFFFAOYSA-N 399.407 -0.555 30 10 GBEE Cn1c(=O)ccn(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1=O 523356644 HTABJLLRNAXMPY-AWEZNQCLSA-N 399.432 -0.041 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)C1=O 600436730 PKSIYZBPGITAKL-NWDGAFQWSA-N 381.385 -0.562 30 10 GBEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O 785287829 WRFIIWIUAFSLDE-CYBMUJFWSA-N 378.360 -0.234 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 839595585 CJEQUZGWSBQFSJ-AWEZNQCLSA-N 386.408 -0.045 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 849960352 UXVSZVZUUFTLFN-OAHLLOKOSA-N 382.461 -0.767 30 10 GBEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1180989916 NWWATAJQKYDZGF-ZDUSSCGKSA-N 389.412 -0.523 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 1261516293 KQMFTUJYDLPTMP-ZBFHGGJFSA-N 387.440 -0.043 30 10 GBEE N#Cc1cn(CCNC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)c(=O)nc1O 1301213292 MXLCEUPJDINEKT-MNOVXSKESA-N 390.318 -0.079 30 10 GBEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC#Cc1ccccc1 1321400088 QADLRRSCGXWPJI-CVEARBPZSA-N 377.466 -0.012 30 10 GBEE COCc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ncn1 1326199185 CQWXFYADFSYPIA-UHFFFAOYSA-N 398.427 -0.176 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C[C@H](C)O1 1326532457 JRBSURWRUNHOQO-MAZHCROVSA-N 389.408 -0.161 30 10 GBEE C=C[C@@H](COC)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1327257598 DUUFOFMIAMCAHU-CABCVRRESA-N 380.489 -0.105 30 10 GBEE CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1328814696 BCGAOWOUMOHMAN-PQDJCJPTSA-N 391.472 -0.134 30 10 GBEE C#Cc1ccc(Cn2nnnc2N2CCCN(C(=O)CNC(C)=O)CC2)cc1 1337425934 DEIKAYZYTCXOMC-UHFFFAOYSA-N 381.440 -0.123 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 1347160129 MTZCUODTXIHUHJ-YNEHKIRRSA-N 375.408 -0.717 30 10 GBEE N#Cc1cn(CCNC(=O)C2CCC(N3CCOCC3)CC2)c(=O)nc1O 1453839599 AOPJFGQSVJFJOQ-UHFFFAOYSA-N 375.429 -0.172 30 10 GBEE C#CCC1(O)CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 1473748325 XJVNYNXOXFRVLC-UHFFFAOYSA-N 376.457 -0.182 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN(C)C(=O)COC)C[C@H]21 1489279864 YSULQPBZRYHGRQ-JJXSEGSLSA-N 379.457 -0.258 30 10 GBEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1503370142 ASNDOWMQUPKXBD-GFCCVEGCSA-N 384.400 -0.258 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1507669790 ROGVUZABTGNIDR-CRAIPNDOSA-N 392.481 -0.206 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1508408979 AFGJZCKWIKTAPV-FRRDWIJNSA-N 386.478 -0.100 30 10 GBEE C=CCn1c(-c2ncccn2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1520179884 TYRWLRATVAGVSA-UHFFFAOYSA-N 398.471 -0.098 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC)CC1 1539477631 TXRCXUMCKHYGKE-UHFFFAOYSA-N 398.471 -0.220 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 1558073783 ZKQXWJKMJBQHMC-UHFFFAOYSA-N 395.466 -0.394 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1623722410 WDDJKHDXCPPPIO-LBPRGKRZSA-N 390.483 -0.324 30 10 GBEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@@](C)(C#N)C2)c1 1636284766 VATWZEYNHNPTAS-KRWDZBQOSA-N 394.453 -0.192 30 10 GBEE C[C@H](CC(=O)N[C@H]1CCN(O)C1=O)NS(=O)(=O)c1cccnc1Cl 1637457679 CLJAZAZQPIEFFE-BDAKNGLRSA-N 376.822 -0.102 30 10 GBEE N#C[C@]12CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@H]1CS(=O)(=O)C2 1684178524 DKDRUDMGCIMGSU-JLJPHGGASA-N 382.486 -0.181 30 10 GBEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705532721 QIQYMZDWDQPASL-CABCVRRESA-N 386.456 -0.268 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCn1cc(CO)nn1 1722378698 HQSDLYDHFMHWEG-UHFFFAOYSA-N 379.428 -0.075 30 10 GBEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1772786044 NDEMOTZJIPJLDT-GHMZBOCLSA-N 392.389 -0.224 30 10 GBEE CCOc1ccc(S(=O)(=O)NCC(=O)NCC#CCN2CCOCC2)cc1 1850333754 FZZDHFJAUDBYCK-UHFFFAOYSA-N 395.481 -0.185 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(=O)N(C)CC3)C2=O)CC1=O 1853651246 MMUSSPPJJDGGTF-CABCVRRESA-N 376.457 -0.297 30 10 GBEE N#CCC(=O)N1C[C@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CC1=O 1855334456 OLRPUSSAMBWZHY-AWEZNQCLSA-N 383.474 -0.767 30 10 GBEE CN1C[C@H](C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)CC1=O 1856410497 IQHZSTHXHPQYPD-UONOGXRCSA-N 397.435 -0.130 30 10 GBEE CN(CCC#N)C(=O)COc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 1865751050 HEPIWUSANOAXRH-GFCCVEGCSA-N 398.375 -0.161 30 10 GBEE Cn1cc(S(=O)(=O)N2CC(COc3cccnc3C#N)C2)c(=O)n(C)c1=O 1892122609 XGBHKIOZMDALSO-UHFFFAOYSA-N 391.409 -0.950 30 10 GBEE COC(=O)C[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282292680 YTUSPBKKXCCUBT-SECBINFHSA-N 388.255 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COc1cc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(F)cc1C#N 599951123 FPWUEEVKASUAHY-SNVBAGLBSA-N 384.389 -0.205 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](OC)C2CCCC2)CC1 658447230 XCKIMWHMKKBBKT-INIZCTEOSA-N 380.489 -0.246 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1=O 744919020 QWJUIFPPQGDPPV-LLVKDONJSA-N 389.368 -0.646 30 10 GBEE C#CCN(CC(=O)NC1COC(C)(C)OC1)CC(=O)NC1COC(C)(C)OC1 821912873 STQDDXXZRCQTQY-UHFFFAOYSA-N 397.472 -0.543 30 10 GBEE CN(C)S(=O)(=O)N1CC(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 862150737 XYWHZJHQRAQPTO-UHFFFAOYSA-N 399.404 -0.727 30 10 GBEE CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1=O 1118634287 BZFPFDPLGUFFDJ-INIZCTEOSA-N 397.435 -0.534 30 10 GBEE C=C1[C@H](C(=O)NCC[C@@H]2CC(=O)N(C)C2)[C@H]1C(=O)NCC[C@@H]1CC(=O)N(C)C1 1119709655 JNJWJMNKTJSIRF-KNCCTNLNSA-N 390.484 -0.242 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)cc1 1136149458 LCQXHDHFEHYHFI-ZDUSSCGKSA-N 390.421 -0.556 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCn3cnnc3C2)c1 1261565818 NIFDOTHNNVFTHR-UHFFFAOYSA-N 396.454 -0.373 30 10 GBEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 1282651314 MGCQKNFTXUWCDJ-ILXRZTDVSA-N 377.445 -0.187 30 10 GBEE COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1301447614 CQLCBJRKSHOXIB-IGCXYCKISA-N 378.433 -0.255 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 1322675928 WFSSUDGCRARBSO-AWEZNQCLSA-N 379.438 -0.375 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 1322718689 XGJOXDYANIAUFU-CQSZACIVSA-N 391.453 -0.705 30 10 GBEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H](C)NS(C)(=O)=O)n2C)n1 1323823783 CYTRCBSSLMWWCJ-CYBMUJFWSA-N 395.489 -0.092 30 10 GBEE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCO1 1327392656 FFCGZVFHWIODMK-SUMWQHHRSA-N 390.415 -0.046 30 10 GBEE C#CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 1337023963 DYPGZQKHVGBETR-UHFFFAOYSA-N 383.452 -0.225 30 10 GBEE 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30 10 GBEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)C1 600104200 ZTVOCUKQKDLWIA-LBPRGKRZSA-N 379.442 -0.012 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 659666271 WMFOANCXTVXVAC-CYBMUJFWSA-N 381.429 -0.381 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 809503336 YIKMGZCICCCXAY-UHFFFAOYSA-N 399.451 -0.371 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)N1CCC(C(=O)OC)CC1 850787853 CPNUGZSEOHQVSC-CYBMUJFWSA-N 375.447 -0.297 30 10 GBEE C#C[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 854776172 AZFPAZVABUPTJT-CQSZACIVSA-N 397.428 -0.598 30 10 GBEE COc1cc(N)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(C)(=O)=O 1137371266 JOGZZPDPWGWNCW-UHFFFAOYSA-N 380.426 -0.121 30 10 GBEE COc1ccc(CN2CC[C@@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C2=O)cc1 1146684937 CLUGHGLILSURDW-OAHLLOKOSA-N 397.391 -0.254 30 10 GBEE CCO/C=C\[C@](O)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1159761007 ABGVYHBUVUTRFQ-SCOBNMCVSA-N 376.291 -0.220 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nn2C)CC1 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10 GBEE C#CCn1cc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cn1 1556465602 OEHLHLJYEQPYTH-INIZCTEOSA-N 385.399 -0.126 30 10 GBEE Cc1ccn2c(=O)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cnc2c1 1558805331 KDSUNCMODLUMGS-UHFFFAOYSA-N 378.348 -0.166 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1O 1572821604 UGKPTFBWASSWAZ-LHHMISFZSA-N 392.456 -0.394 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H](C)S(C)(=O)=O)nn1 1574510590 JHQOLJDQFVOHRM-BYNQJWBRSA-N 381.458 -0.241 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1)c1cc[nH]n1 1644151367 HOJYBGRHMWWPPQ-NEPJUHHUSA-N 398.441 -0.413 30 10 GBEE CC1(C)CC(=O)N[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1761551087 GSMQUPBYQTYIGA-RWMBFGLXSA-N 387.444 -0.127 30 10 GBEE C=C[C@]1(CO)COCCN1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 2199852195 MZZAMYGNLSPEJO-SFHVURJKSA-N 383.445 -0.158 30 10 GBEE C=C(CS(=O)(=O)N1CC(O)([C@H](F)C(=O)O)C1)B1OC(C)(C)C(C)(C)O1 2269039217 DYLGFKQHBBFLDS-SNVBAGLBSA-N 379.215 -0.027 30 10 GBEE CCS(=O)(=O)N(C)CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281991773 FWCAVVPEOCXVFQ-UHFFFAOYSA-N 386.283 -0.280 30 10 GBEE Cn1ccc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1 2282317905 BBFWXYFSIUGFLR-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(CCCN)C1 2282326332 QWMHYWZVUHHOPL-UHFFFAOYSA-N 385.299 -0.526 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CC[C@@H]1CNC2 2282345670 QMNHCPMKWXZTQZ-BZNIZROVSA-N 382.295 -0.250 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CNC[C@@H]3O)c2)OC1(C)C 2282354867 WTTBXGXZABXRQZ-RISCZKNCSA-N 383.279 -0.761 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCn1cncn1 2282355106 YVGVWTIAOLUCMG-UHFFFAOYSA-N 382.255 -0.711 30 10 GBEE C=C(CS(=O)(=O)N1CCN(C[C@@H](O)CO)CC1)B1OC(C)(C)C(C)(C)O1 2282490866 LGDCEGTWJVXOQB-CQSZACIVSA-N 390.311 -0.525 30 10 GBEE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282626561 CKDVKWZPKNKIBV-UTUOFQBUSA-N 384.263 -0.365 30 10 GBEE CN([C@]1(C)CCOC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282837687 GJKCVBBNQSVZIK-OAHLLOKOSA-N 386.283 -0.086 30 10 GBEE COC[C@@H](CCO)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282839836 AZCFTFGXSLOMFW-LLVKDONJSA-N 389.283 -0.605 30 10 GBEE Cc1nc(S(=O)(=O)N[C@@H]2C[C@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284403877 UGEBPRZLUGRQEC-NXEZZACHSA-N 385.251 -0.221 30 10 GBEE C#CCNC(=O)CN(CC(=O)NCC#C)S(=O)(=O)c1ccc(OCC)cc1 25351628 CFGLSIDAAOSNIB-UHFFFAOYSA-N 391.449 -0.425 30 10 GBEE CC(C)C/N=C(/O)NC(=O)[C@H](C)N1CCN(CC(=O)N2CCOCC2)CC1 330676987 AUVCKOQKFJOPIK-HNNXBMFYSA-N 383.493 -0.463 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CC1 375672437 MVRCFUIWSZLSLZ-HNNXBMFYSA-N 396.488 -0.190 30 10 GBEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 530317884 FRBYUCRMYHRMNZ-AWEZNQCLSA-N 397.456 -0.106 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)nc1 593237884 VIXVZHGDJMTUEH-UHFFFAOYSA-N 381.396 -0.046 30 10 GBEE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 599501469 QHYAAFRAZYZYAP-UHFFFAOYSA-N 378.863 -0.019 30 10 GBEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2C#C)c[nH]1 841548604 JFICVRANKYNCSY-KBPBESRZSA-N 377.422 -0.488 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC12CCOCC2 848959147 BSRJJGLJVRFYSG-UHFFFAOYSA-N 389.499 -0.250 30 10 GBEE C=CCn1c(N2CCN(S(=O)(=O)CC)CC2)nnc1[C@@]1(C)C[C@H](O)CN1C 1121709654 VNMIBSRATCNMBH-WMLDXEAASA-N 398.533 -0.153 30 10 GBEE C#CC1(O)CN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)C1 1204555634 LIIQQGFCIWFAEL-UHFFFAOYSA-N 383.426 -0.168 30 10 GBEE C#CC1(O)CN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)C1 1230263969 GRXNTWXMMJBBIS-UHFFFAOYSA-N 380.422 -0.336 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCC3CCC(C#N)CC3)C[C@@H]12 1261716522 LSNFFZKMJVFEJA-PCGVCOGMSA-N 383.470 -0.297 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@@H]1CCOC1 1263541734 UMJFGBUPXIUXRZ-AWEZNQCLSA-N 382.424 -0.548 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C(C)C)CC1 1286469485 HHVIUOZXYIAMGQ-UHFFFAOYSA-N 389.504 -0.056 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1331543933 AZMIILUKUJVNGY-CQSZACIVSA-N 379.438 -0.750 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccncc2)[C@H](C)C1 1332213226 HKTHEICNCTVHLA-CQSZACIVSA-N 380.470 -0.164 30 10 GBEE COC1(OC)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1O 1557152823 KUXICKUTGSKJIU-CYBMUJFWSA-N 383.426 -0.693 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)NCCn2ccc(O)nc2=O)ccc1F 1558337829 LZNCYUCQWMIDNX-UHFFFAOYSA-N 396.400 -0.018 30 10 GBEE CCOC(=O)CON=C(C(=O)NCCN1CCC(N(C)C)CC1)c1cc[nH]n1 1621471958 SQHWPUCOUYMCIQ-UHFFFAOYSA-N 394.476 -0.164 30 10 GBEE O=C(NCC#C[C@H]1CCCCO1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1637186705 XEWXWOVANAAACP-ZIAGYGMSSA-N 381.454 -0.159 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)c1 1644596107 ISGNNPWSZBLFBU-HNNXBMFYSA-N 379.438 -0.203 30 10 GBEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1666340250 PQHUWNLIDGYMAG-UHFFFAOYSA-N 376.438 -0.066 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N(CCO)CCOCCO)C1 1681228470 ZSZHTHQNZSGMEV-UONOGXRCSA-N 386.449 -0.242 30 10 GBEE CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1=O 1767522960 NOJAUVRRWIFJEY-BMRADRMJSA-N 385.428 -0.040 30 10 GBEE CN1C[C@H](C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)CC1=O 1857071070 BAOGQLJNAKUHKA-CVEARBPZSA-N 396.451 -0.319 30 10 GBEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 2124705621 KONLTYNAEXQWIC-STQMWFEESA-N 386.474 -0.346 30 10 GBEE CN1CCC(C#N)(NC(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CC1 2184058666 DVHSFTLQWOADAW-RDBSUJKOSA-N 382.461 -0.178 30 10 GBEE C#C[C@@H](CO)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2244225626 JFCIDSQERPSMQF-KBPBESRZSA-N 384.410 -0.632 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CCOC[C@@]2(CN)CO)OC1(C)C 2281804909 QZOLKHLKHDFNSH-MRXNPFEDSA-N 383.279 -0.396 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)c1nc[nH]n1 2282312499 XIMPCYNASPLRJX-QMMMGPOBSA-N 383.243 -0.728 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC2(CC(O)C2)C1 2282341679 WFYBPNJSVGSTMB-UHFFFAOYSA-N 383.279 -0.135 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@]2(CO)C1 2282852350 NZVNKRPKPOJZPF-BDJLRTHQSA-N 383.279 -0.278 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CS(N)(=O)=O)C1 2362465432 QXMDQZSOQSJBBU-UHFFFAOYSA-N 384.267 -0.920 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccn3)CC2)CC1 283013385 PRSBPLPSBMJRGQ-UHFFFAOYSA-N 378.458 -0.797 30 10 GBEE CC1CCN(C[C@@H](O)C/N=C(/O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 328688012 ZLOKYDLKXKZDAZ-ZDUSSCGKSA-N 392.460 -0.517 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC2(CCOCC2)C1 349465757 PEVHXWJLFJFDBX-CYBMUJFWSA-N 379.504 -0.008 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 491200834 MLYCLOXOOHPLME-UHFFFAOYSA-N 385.424 -0.048 30 10 GBEE Cc1cc(NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)n(CCC#N)n1 533317252 PMGGOZMMPUUMQD-UHFFFAOYSA-N 389.460 -0.334 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(F)(F)C[C@H]1CO 594636235 WPCCYWHUIBVSAT-JTQLQIEISA-N 375.419 -0.807 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 656354481 GANOLOKFVQWKSY-IAGOWNOFSA-N 391.516 -0.434 30 10 GBEE CS(=O)(=O)N[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 735073321 NDMFFWKUMPRDTQ-HNNXBMFYSA-N 391.453 -0.097 30 10 GBEE COc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1C#N 825090184 PLZPOQJSZNAVHL-GJZGRUSLSA-N 379.438 -0.206 30 10 GBEE C#CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 918755935 GVIUEUBWQYDSOQ-LBPRGKRZSA-N 395.462 -0.626 30 10 GBEE CCN1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 920462014 QJTREEHPRYPCPX-LZLYRXPVSA-N 397.545 -0.160 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H](OC)C1 941846138 GGXWUAYBKJRROS-RUZUBIRVSA-N 392.412 -0.967 30 10 GBEE C#CCN(C(=O)C(=O)NCc1c(C2CC2)cnn1C)[C@H]1CCS(=O)(=O)C1 1118441442 PDCREGDMBQVHMP-ZDUSSCGKSA-N 378.454 -0.437 30 10 GBEE N#C[C@]12CN(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1234459567 YVVZUURAIGWMTN-HOSYDEDBSA-N 392.363 -0.039 30 10 GBEE C#CCN(C(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O)C1CCN(C)CC1 1262230037 RZLANJMGQRUSAH-UHFFFAOYSA-N 396.447 -0.045 30 10 GBEE CN(CC(=O)N1CCOCC1)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1326804128 OEFKKKCHFJEKQT-MRXNPFEDSA-N 388.424 -0.633 30 10 GBEE COCCN(CCF)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1327776488 LQKNAODJNQPWON-UHFFFAOYSA-N 380.424 -0.307 30 10 GBEE C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1343401562 LLYKNDVJTNSUJG-FQUUOJAGSA-N 395.485 -0.294 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 1344682558 KUXQHZJYFMAHKE-MRXNPFEDSA-N 396.451 -0.129 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1359023942 BGSGNUQGVQMWST-ZDUSSCGKSA-N 383.474 -0.598 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C2CC2)CC1 1359036501 XYFHCNIPGDKKGG-OAHLLOKOSA-N 394.501 -0.299 30 10 GBEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 1448500098 GUBSOZWEFBKWRG-KGLIPLIRSA-N 395.437 -0.543 30 10 GBEE CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@@H]12)c1cnc(N)s1 1614466603 JYMYFOQORDMWJK-NNFJCDMRSA-N 383.411 -0.556 30 10 GBEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705556316 FSCGHYKJCIWSRR-CQSZACIVSA-N 394.501 -0.249 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1722373235 LANRNYZEGPHKLV-GFCCVEGCSA-N 376.446 -0.862 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](OC)C1 1735897738 LQHHZTJQTWOVNA-LVQVYYBASA-N 377.445 -0.319 30 10 GBEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cn1 1851131432 WSRAACWIWBJZHK-CYBMUJFWSA-N 380.412 -0.217 30 10 GBEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)CCn3cncn3)C2=O)C1 1857114098 GKRSGTOMZJFFID-HNNXBMFYSA-N 381.396 -0.174 30 10 GBEE C#CCNC(=O)CCNC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 2188601087 OGTMGZRRTIRMQB-SFHVURJKSA-N 383.445 -0.105 30 10 GBEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267711424 KXROHAMUICXBIH-XMMPIXPASA-N 392.312 -0.018 30 10 GBEE Cc1c(C(=O)N2CC(S(C)(=O)=O)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282062628 AUVSCURMNCLKBI-UHFFFAOYSA-N 383.279 -0.103 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCC(=O)NC3CC3)c2)OC1(C)C 2282290023 LRORKJBVMDGHID-UHFFFAOYSA-N 381.263 -0.062 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3COC[C@H]3CO)c2)OC1(C)C 2282353623 WJHMNHUJWHDBMH-BXUZGUMPSA-N 384.263 -0.334 30 10 GBEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCS(=O)(=O)NC 2282603227 CQTCZTMUPDNEEO-UHFFFAOYSA-N 386.283 -0.519 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2[C@H]3CC[C@@H]2CNC3)n1 2282841854 QJPYMQRWYXSTNA-TXEJJXNPSA-N 382.295 -0.156 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1NC[C@@H]2C[C@@H]21 2282862135 YXQJNGWLXXTJRK-DCAQKATOSA-N 383.283 -1.000 30 10 GBEE C=CCNC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)OC)CC1 105649862 FCGMUCPNLAFUNJ-UHFFFAOYSA-N 396.469 -0.455 30 10 GBEE CN(C(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 243860544 RIXZBEYNPLZDGH-AWEZNQCLSA-N 385.467 -0.030 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)C1=O 264523669 MUTJHHQRCUDETO-HNNXBMFYSA-N 391.472 -0.408 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(C)cc2C(=O)OCC)C1=O 281457146 NLSGCTCXLDMJNV-GFCCVEGCSA-N 377.401 -0.219 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](CN(C)CCC)C2)CC1 459890243 WRDJSUJOOLFTTN-KRWDZBQOSA-N 393.532 -0.377 30 10 GBEE CN1CCN(OC(=O)[C@@H]2[C@@H]3[N]CCN[C@H]3C(=O)N2c2ccc(Cl)cn2)CC1 504815578 RAPWYIXFYADGMW-KFWWJZLASA-N 393.855 -0.899 30 10 GBEE CN1CCN(OC(=O)[C@@H]2[C@H]3[N]CCN[C@H]3C(=O)N2c2ccc(Cl)cn2)CC1 504815580 RAPWYIXFYADGMW-ZNMIVQPWSA-N 393.855 -0.899 30 10 GBEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)cn1 575435869 BMWQWMBLRHPPAD-RFHZTLPTSA-N 386.364 -0.157 30 10 GBEE N#CCc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@H](C(=O)NCCN)C1)C2 1118962528 LRCNUWBBHULTSO-KRWDZBQOSA-N 397.479 -0.049 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 1120349770 GFTQBUIOLBHJAH-KRWDZBQOSA-N 377.485 -0.066 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)N(CCO)C[C@@H]3C)CC2)o1 1171298283 SCFQSFSLIDBCOY-GJZGRUSLSA-N 390.488 -0.110 30 10 GBEE N#C[C@]12CN(CC(=O)NC[C@@H]3Cc4ccccc4O3)C[C@H]1CS(=O)(=O)C2 1198337802 WLCXUHOKHWQMFO-RLFYNMQTSA-N 375.450 -0.024 30 10 GBEE COCCNC(=O)C1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1275165672 JLRKUFVPNIBNJL-UHFFFAOYSA-N 394.453 -0.096 30 10 GBEE CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1326956440 WBMZTNIFZGQJGN-MRXNPFEDSA-N 387.440 -0.251 30 10 GBEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1358967505 LSIHYWNQYUWCLX-UONOGXRCSA-N 395.485 -0.108 30 10 GBEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 1593636129 HLTNYSYHKQWGOV-CHWSQXEVSA-N 398.489 -0.501 30 10 GBEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1C(=O)OC 1620665528 LUUYCYPVVVDQMS-XHSDSOJGSA-N 394.472 -0.427 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 1650849105 UMVGGYNTKIIBOX-UHFFFAOYSA-N 396.425 -0.106 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1 1665895863 INIBMYPLCWAGJL-GFCCVEGCSA-N 387.483 -0.099 30 10 GBEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnn(C)n1 1690025416 PPQBLRLBMOIEOD-UHFFFAOYSA-N 395.452 -0.086 30 10 GBEE CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCO1 1711361773 KVOXZRZUAUCYQZ-KGLIPLIRSA-N 399.411 -0.307 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(N)=O)CC1 1736477249 RXRBCOAWKUNDRP-BARDWOONSA-N 376.457 -0.029 30 10 GBEE CC(C)C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)CCO 1869930363 YKWNBHFEEMJGGW-CQSZACIVSA-N 383.470 -0.047 30 10 GBEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H](CCS)C(=O)O)CCS(=O)(=O)C1 2059827150 FBVAMKVKSUMOPS-OTYXRUKQSA-N 396.487 -0.042 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CN 2282329837 RYPRGNWVSGDYPK-NWDGAFQWSA-N 384.311 -0.065 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCO[C@@H](CO)C3)c2)OC1(C)C 2282349823 DJNJRRLDZJXTAD-CYBMUJFWSA-N 384.263 -0.237 30 10 GBEE Cc1nc(=NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)n(C)[nH]1 2282414046 NJOFUZYBSHUSBU-UHFFFAOYSA-N 382.255 -0.621 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCOC[C@H](O)C2)n1 2282494675 AVYLBXPJZVVLCJ-LLVKDONJSA-N 387.267 -0.899 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC(O)(C3CC3)C2)n1 2282501624 ZJWSVWCFKZLUIP-UHFFFAOYSA-N 383.279 -0.135 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC23CCN(CC2)C3)n1 2282832063 IXFJUVUDEZHPMQ-UHFFFAOYSA-N 382.295 -0.154 30 10 GBEE C#C[C@H]1COCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837019 RLWOUAFJFRPULP-LBPRGKRZSA-N 381.263 -0.258 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2[C@H]3NCCC[C@H]32)n1 2282839113 ZBXFBJWSCLAXCD-KGYLQXTDSA-N 382.295 -0.252 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC3CC2(CO)C3)n1 2282842720 BXXAUKRNVIVVKU-UHFFFAOYSA-N 383.279 -0.135 30 10 GBEE C[C@H]1CNC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854227 OYGVZRILPRWDSA-RYUDHWBXSA-N 384.311 -0.147 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCC[C@H](O)C(=O)O)c2)OC1(C)C 2284407120 HOMKWDGGBYUPIA-LBPRGKRZSA-N 386.235 -0.505 30 10 GBEE CC#CCN(CC(=O)O)C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2315988171 GCPOWUWVLYCTJI-NSHDSACASA-N 376.431 -0.139 30 10 GBEE CC#CCN(CC(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)C(=O)OC(C)(C)C 2316059988 JZVBFXRZCDBITF-NSHDSACASA-N 376.431 -0.139 30 10 GBEE Cc1ccc2c(c1)N(CC(=O)N[C@H](CCCN=C(N)N)C(=O)O)CC(=O)O2 217434546 LISZPHIZPNZMLD-LLVKDONJSA-N 377.401 -0.657 30 10 GBEE C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 288806382 JACPKXFZRUNJKN-HOCLYGCPSA-N 387.440 -0.088 30 10 GBEE NS(=O)(=O)c1ccc(C=NNC(=S)NCCCN2CCOCC2)s1 844566480 FXCUVOFFAHIASR-UHFFFAOYSA-N 391.544 -0.084 30 10 GBEE C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 846261053 FZHXDRIRRXROLQ-IUODEOHRSA-N 381.454 -0.058 30 10 GBEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 859027490 JNEKLHSBGQCGQQ-GFCCVEGCSA-N 398.441 -0.567 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](C)CC1(C)OCCO1)[C@H]1CCS(=O)(=O)C1 1117464475 VCVOZJNQPYTSFU-KBPBESRZSA-N 386.470 -0.459 30 10 GBEE C#CC1(O)CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1307961881 MYVQKPRPENZQLF-UHFFFAOYSA-N 379.482 -0.157 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1329145363 DCBGIUFTNAUOTQ-CYBMUJFWSA-N 385.428 -0.048 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2(CC3CC3)CC2)CC1 1334507930 PJHKKRNYWYFGHB-UHFFFAOYSA-N 379.490 -0.157 30 10 GBEE C#CCCCc1nnc(N2CCN3[C@@H](CNS3(=O)=O)C2)n1C[C@@H]1CCOC1 1336274674 OYQIPXMBDRGUOA-GJZGRUSLSA-N 394.501 -0.391 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C)CC1 1340604119 ZCOUCMSIDKRIKW-CQSZACIVSA-N 384.502 -0.917 30 10 GBEE C=C(C)Cn1c([C@@H]2CCCN2C)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1343460033 UEHIIJXDIXQAIJ-KBPBESRZSA-N 381.506 -0.041 30 10 GBEE COCCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1344648931 YTPLXRLEYZGZPH-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C(=O)N3CC[C@](F)(C#N)C3)C2)n1 1351422360 NRGUPQKDLUMQDY-IRXDYDNUSA-N 379.392 -0.008 30 10 GBEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439797314 QDZSCRKWKLKSRI-OUCADQQQSA-N 375.472 -0.803 30 10 GBEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(C(=O)Cn3cnnn3)CC1)C2 1565245264 HRYZYWYOVPPIMO-INIZCTEOSA-N 380.412 -0.434 30 10 GBEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C#N)CO 1569055365 RRHQJFXZSAEBEY-MFKMUULPSA-N 387.845 -0.126 30 10 GBEE CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1)S(C)(=O)=O 1574267211 KUPFBQQMBYZRGZ-RDBSUJKOSA-N 379.442 -0.361 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)N(C)C)c1 1636073692 YJQQYFTYBPEOOQ-UHFFFAOYSA-N 387.483 -0.391 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1690033051 PDCIWZZORDHFLF-YOEHRIQHSA-N 395.485 -0.497 30 10 GBEE C#CCCOc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 1719136229 UIDDRFRSMMDTML-YYIAUSFCSA-N 385.420 -0.488 30 10 GBEE CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1729740079 AZCYSKFLALYMFU-CHWSQXEVSA-N 384.462 -0.202 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C 1757719241 PEHXMDKLWGXBFE-KHSSZTOVSA-N 377.445 -0.093 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)[C@@H](O)C1 2237867574 DKDSGZIDYVELMA-RPLLJCPNSA-N 381.429 -0.140 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)s1 2281947116 SNSCXEKPSJPIGC-MROQNXINSA-N 383.275 -0.059 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N2CC[C@](O)(CO)[C@@H](O)C2)OC1(C)C 2282174662 GYYOBXBLHCBWQR-SJCJKPOMSA-N 383.275 -0.023 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)C12CCC2 2282325312 COVZDNOSSPUIEE-SNVBAGLBSA-N 384.267 -0.598 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@]23CNC[C@H]2C3)n1 2282836836 PTIVOPKCIBONBW-BZNIZROVSA-N 382.295 -0.393 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)CC1(C#N)CC1 2312322763 YBCUZUJCSLGYAW-TUAOUCFPSA-N 375.447 -0.449 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)CN3CCOCC3)CC2)cc1 25301789 YMWKBPUGJSCENX-KRWDZBQOSA-N 394.497 -0.442 30 10 GBEE CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)[C@H](C)C1 349492005 KIIFFBICRJXLKF-NEPJUHHUSA-N 380.492 -0.910 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 349611751 SZYZAVQGQKQYJX-KYNDHQSQSA-N 397.544 -0.525 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)CN1CCOCC1 425284993 FGSVFMDYUZWYDL-UKRRQHHQSA-N 396.469 -0.966 30 10 GBEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CO)cc1 485023899 HRZJEEMTIZJZJL-INIZCTEOSA-N 385.442 -0.709 30 10 GBEE CNC(=O)c1cccc(OCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 530272399 SSHADVSQZHBFED-UHFFFAOYSA-N 383.364 -0.358 30 10 GBEE C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 561715464 AQQLVGQOJKUXKL-ZBFHGGJFSA-N 387.440 -0.088 30 10 GBEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 566488332 SVIZYFQPGPPSQA-NSHDSACASA-N 386.455 -0.612 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCOCC3)cnn2)cc1 585454551 GETXTIIYQUPIFR-UHFFFAOYSA-N 388.453 0.575 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]12 594661108 VKACONLKSOGGBX-JONQDZQNSA-N 389.433 -0.066 30 10 GBEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 612819468 LYVZUTWPHFXINS-INIZCTEOSA-N 384.440 -0.271 30 10 GBEE C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 847518050 JSFFKRKUJYLSAO-KUHUBIRLSA-N 386.408 -0.088 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1120412192 HOPKSTXCDIPUJL-HNAYVOBHSA-N 377.441 -0.523 30 10 GBEE CCOC(=O)CON=C(C(=O)NCC(=O)NCC(F)(F)F)c1cc[nH]n1 1136294884 PUPHFEFZKKNZKY-UHFFFAOYSA-N 379.295 -0.512 30 10 GBEE CN1C(=O)CO[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1cccnc1 1136672793 ZCXYKOSXOPFXQR-ANJOGFASSA-N 399.407 -0.378 30 10 GBEE Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290881306 SWFMVAOGEKCQCO-HYEKCJMVSA-N 387.444 -0.366 30 10 GBEE CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1297704143 DFUVTCCJIRNDQR-RYUDHWBXSA-N 382.446 -0.607 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 1322715438 DWXXFWGIRWNGKJ-STQMWFEESA-N 385.428 -0.878 30 10 GBEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)OCC[C@H]4C3)C2)nc1 1328551600 BCQQAGUSKSXSCT-LSDHHAIUSA-N 399.407 -0.014 30 10 GBEE COC(=O)[C@@]1(N2CCN(C(=O)C(=O)N3CCC[C@](C)(C#N)C3)CC2)CCOC1 1329842094 SXHQFSNYGYYVMC-RTBURBONSA-N 392.456 -0.385 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1358978693 RYTVIIDNBAQEHD-HNNXBMFYSA-N 387.469 -0.065 30 10 GBEE C#CCSCCn1c(COCC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359062190 YNNGHDXRVLZDSF-CYBMUJFWSA-N 392.485 -0.672 30 10 GBEE C#CCC1(O)CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 1471525461 DBOPVXMWYZZACX-KRWDZBQOSA-N 377.441 -0.021 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]1O 1489628493 HCIPSWCZJAVQBU-KBXIAJHMSA-N 381.473 -0.182 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@@H](C)C(=O)NCC(F)(F)F)c1cc[nH]n1 1543381310 HQUZYKDMIGVQBP-QMMMGPOBSA-N 393.322 -0.123 30 10 GBEE 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C#CCC[C@@H](NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)O 2313908618 LXEMZLISUAKIFT-GHMZBOCLSA-N 376.431 -0.093 30 10 GBEE C#CCNC(=O)CN[C@]1(C(=O)O)C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2376699166 CXEUQZCAJGWMEF-LXIYXOSZSA-N 381.429 -0.053 30 10 GBEE C/N=C(/NC[C@H]1CCc2nnc(C)n2C1)N1CCN(CC(=O)NC2CC2)CC1 262821587 XEWNLXVTANPEJA-OAHLLOKOSA-N 388.520 -0.379 30 10 GBEE C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC(=O)N1C 349507527 YKTCYAZRRRXJCI-RYUDHWBXSA-N 380.492 -0.958 30 10 GBEE C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 559781119 NMWVCEJDOUWLTJ-HNNXBMFYSA-N 386.456 -0.561 30 10 GBEE N#C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCN1C1CC1 732647639 HJFWEBLHQUIQEM-QZTJIDSGSA-N 389.500 -0.102 30 10 GBEE C[C@H]1CN(CCO)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 837193793 YZIVBRWSJVWXHG-ZDUSSCGKSA-N 380.470 -0.360 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)CC2)cc1 1118263946 XKKKZWRNGXUVCP-FXUCQVAHSA-N 386.477 -0.066 30 10 GBEE 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CC1(C)OB(c2cncc(S(=O)(=O)N3CCNC[C@@H](O)C3)c2)OC1(C)C 2282351582 COMFHEIVOGZILC-CYBMUJFWSA-N 383.279 -0.664 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]1(C)CCCNC1 2282414948 ZQVCJCTWVYAQIN-OAHLLOKOSA-N 385.299 -0.465 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCNC12CC2 2282854885 XCSUTLMMBHWHAL-NSHDSACASA-N 382.295 -0.108 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C1CC1)C1CNC1 2282857478 IQPVPQIVBVBTSP-UHFFFAOYSA-N 382.295 -0.156 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362346375 RBSRLENZWWQMAR-MNOVXSKESA-N 383.279 -0.118 30 10 GBEE N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCOC1 349593341 PLDSQFKLHVHKPZ-STQMWFEESA-N 397.544 -0.254 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC(C)(C)OC(C)(C)C2)CC1 459887772 REACNSFJVLQEDL-UHFFFAOYSA-N 380.489 -0.151 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC(CN(C)C)CC2)CC1 459888447 TZRQCWRTPILMGW-UHFFFAOYSA-N 379.505 -0.767 30 10 GBEE N#Cc1ncn(CCNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n1 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C=CCN1C(=O)C(=O)N(CC(=O)Nc2nn(CC)cc2C(=O)OCC)C1=O 1135053814 GXQWOTKDKNXAJI-UHFFFAOYSA-N 377.357 -0.005 30 10 GBEE CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1151775882 BNUPXWMUGIDRGA-LLVKDONJSA-N 389.430 -0.113 30 10 GBEE C#CCN(C(=O)[C@H]1CCC(=O)N1C)C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1261914002 PFXINTYYJQFTHZ-JKSUJKDBSA-N 388.468 -0.319 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C[C@H]3SCCNC3=O)n2C)CC1 1262893920 CHKWYCXPQRIORU-CYBMUJFWSA-N 376.486 -0.445 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@@H]1O 1289743972 GJUQOJOUHWLKIF-WCVJEAGWSA-N 379.413 -0.221 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(N)=O 1291866329 SYRJYUNQDGKGKQ-BARDWOONSA-N 379.461 -0.236 30 10 GBEE Cn1ncc2cc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cnc21 1320429578 GIZVCRPHNCGLCG-SQFISAMPSA-N 376.398 -0.227 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)C1 1325239917 KBBSVGPIQQSDEA-QWHCGFSZSA-N 382.442 -0.015 30 10 GBEE 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C#CCNC(=O)CN1CCN(C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)CC1 1297516298 GHQHJCHBEQPTHJ-HNNXBMFYSA-N 396.488 -0.190 30 10 GBEE N#Cc1cc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cnc1C(F)(F)F 1303994001 KWNKOGQHUIUCKL-SNVBAGLBSA-N 375.332 -0.054 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1352446921 QUSUGPBUMXQIQT-QGZVFWFLSA-N 387.436 -0.070 30 10 GBEE Cn1cc(C(=O)NCC(=O)NCC#N)c(CN2C(=O)c3ccccc3C2=O)n1 1459884889 VPUSMTKWIMUGGM-UHFFFAOYSA-N 380.364 -0.414 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 1471451152 OPFOSPJCXNIXSA-UHFFFAOYSA-N 381.414 -0.138 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(=O)N2CCOCC2)CC1 1507742501 KFYWLRHWCRALLP-UHFFFAOYSA-N 388.472 -0.335 30 10 GBEE CN1C(=O)[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C[C@@H]2C1=O 1587460440 UBIQDQLDCUGIJS-OKILXGFUSA-N 390.421 -0.435 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C3CC3)nn2C)CC1 1665750035 HAHPNWMSMUSNPU-UHFFFAOYSA-N 387.487 -0.929 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@]1(O)CCS(=O)(=O)C1 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C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359301265 VREHCDYDULYYLD-OLZOCXBDSA-N 385.490 -0.047 30 10 GBEE N#C[C@@]12CN(C(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1462997216 IBELLKPWXQFDQY-YVNDNENWSA-N 379.360 -0.302 30 10 GBEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1 1508151943 HPRWVEFRUQVGMA-LLVKDONJSA-N 388.519 -0.256 30 10 GBEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)C1CCOCC1 1585138275 HKDOONNLMUMIMA-HUBLWGQQSA-N 390.483 -0.635 30 10 GBEE C[C@@H]1C/C(=C/CO)C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O 1615974670 DJXQRYTVVBNRKB-OYAPQKFGSA-N 381.425 -0.018 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cncn3)c(C)c2)CC1 1643372416 KLHDEPLTCULLAE-UHFFFAOYSA-N 388.453 -0.199 30 10 GBEE COc1ccccc1CN(C)C(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1656827905 FBJNWBMXQNHKDY-UHFFFAOYSA-N 386.408 -0.150 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncnn1C 1736480048 HWUFCXVBDLVCFH-KBXIAJHMSA-N 375.429 -0.382 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC 1748857974 ICNYUPXNOQFMGL-OAHLLOKOSA-N 395.485 -0.280 30 10 GBEE Cn1cc(C(=O)N2CCC(COc3nccnc3C#N)CC2)c(=O)n(C)c1=O 1891232363 DFNJSLUZBGLLEU-UHFFFAOYSA-N 384.396 -0.323 30 10 GBEE C#CCCN1CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CC1 2184052406 RGFUHQRQSPAIAT-JYJNAYRXSA-N 381.473 -0.115 30 10 GBEE C#CC1(O)CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2249437821 JSNYDDQZHIGEFZ-CQSZACIVSA-N 396.421 -0.536 30 10 GBEE CC1(C)OB(c2cnccc2C(=O)N2CC(CS(N)(=O)=O)C2)OC1(C)C 2281794548 IHCCRNKUDRCOEA-UHFFFAOYSA-N 381.263 -0.259 30 10 GBEE Cn1nc(C(=O)NCc2nnc(CO)s2)cc1B1OC(C)(C)C(C)(C)O1 2281959229 LKIBCFNUDQBPIE-UHFFFAOYSA-N 379.251 -0.007 30 10 GBEE C[C@@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CS(=O)(=O)C1 2282099101 CKSZGFDRZPOPAO-SECBINFHSA-N 384.267 -0.723 30 10 GBEE CNC(=O)C1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282353257 UMDLLBIBNRFNII-UHFFFAOYSA-N 384.267 -0.724 30 10 GBEE 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C[C@H](O)[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284393838 PZZUMLVRRMDWNB-CABZTGNLSA-N 386.235 -0.507 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2C[C@@H](O)[C@@H](O)[C@H]2C(=O)O)OC1(C)C 2359399659 QWSXGRIBZRVLSL-KXUCPTDWSA-N 384.219 -0.927 30 10 GBEE CN(C)S(=O)(=O)CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2367627461 SEHPYUNCFURHJC-UHFFFAOYSA-N 386.283 -0.280 30 10 GBEE CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1csc(N)n1 34114942 HJMOOTIZOZYPPH-MXAQMUJZSA-N 399.454 -0.293 30 10 GBEE CS(=O)(=O)N1CCCC[C@H]1C/N=C(/N)N1CCN(c2ncccn2)CC1 262201976 AYCJRVLMZPNJAJ-AWEZNQCLSA-N 381.506 -0.273 30 10 GBEE CN1CCN(C(=O)CC/N=C(/O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 328883164 XQQTUYOXQXOVSN-MRXNPFEDSA-N 395.504 -0.365 30 10 GBEE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349615427 LFEUMASGMMJOME-LLVKDONJSA-N 378.476 -0.808 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 524515755 AMQOPISRKAPODW-UHFFFAOYSA-N 389.522 -0.666 30 10 GBEE 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C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2CNC(=O)NC)c1 1455079619 QQWAGGDXDKJJKO-AWEZNQCLSA-N 394.453 -0.632 30 10 GBEE CN1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 1458238999 HIPXAJFKLOJVAA-LLVKDONJSA-N 378.433 -0.410 30 10 GBEE COC(=O)/C=C1/SCC(=O)N1CCCN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460884378 UDBFAOIPEBLOTC-UDSLPEFMSA-N 399.494 -0.164 30 10 GBEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCC(=O)NCC#N 1556512730 NIDVDAGSXKCTGV-RBLKWDMZSA-N 386.330 -0.272 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 1558073062 KWEQEHHLYJGFKS-UHFFFAOYSA-N 399.494 -0.543 30 10 GBEE Cc1ccn(C[C@@](C)(O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(=O)c1 1645269788 GDJYTFGJCTVTHX-XKQJLSEDSA-N 379.438 -0.696 30 10 GBEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722323624 GLGPONDXRUMQBH-OLZOCXBDSA-N 396.473 -0.058 30 10 GBEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCSC2)CCO1 1750388024 IEKVZJVPISWFSA-DYVFJYSZSA-N 392.485 -0.003 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC1=O 1849634935 BBQFOAJOPYQHIJ-LLVKDONJSA-N 398.407 -0.438 30 10 GBEE Cc1ccc(=O)n(CC(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)n1 1857143841 FYMRNFUWWIWMSU-INIZCTEOSA-N 386.456 -0.399 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1=O 1872917634 HHJIYCSJPCZIBE-HUUCEWRRSA-N 397.497 -0.437 30 10 GBEE C#CC(C)(C)N1CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 2200870861 GPGFOARNBRVCAH-KKUMJFAQSA-N 381.473 -0.117 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2281929521 BRIBRMSLVCAYOJ-PWSUYJOCSA-N 381.263 -0.032 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)s1 2281947303 SNSCXEKPSJPIGC-XQHKEYJVSA-N 383.275 -0.059 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2)OC1(C)C 2282176068 PJGKFZRRAWRKHC-KGLIPLIRSA-N 381.259 -0.127 30 10 GBEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2282653208 CJCXXUGTYSEXRF-XQHKEYJVSA-N 383.275 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N#Cc1ccc2ncc(CN[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2c1 566752760 GDXBTNIUCXFGHE-CVEARBPZSA-N 375.454 -0.207 30 10 GBEE CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn3ccccc23)c1=O 729668792 DLLIBVRARWLBHR-UHFFFAOYSA-N 397.460 -0.157 30 10 GBEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCN(O)C3=O)CC2)cc1 816692515 PSCGVUDZHMHCPE-OAHLLOKOSA-N 396.469 -0.592 30 10 GBEE CC[S@@](=O)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1117334265 NQNWYZXSCACLCE-AREMUKBSSA-N 377.470 -0.077 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](OC)C1 1281833534 BGTDNUWPMXNHJS-APIJFGDWSA-N 388.486 -0.256 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)CNS(=O)(=O)CC)C1 1290928134 JRHUAVCPZPKFMF-TUVASFSCSA-N 387.502 -0.273 30 10 GBEE C=CCNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1322209564 KZHMXYIAPIUNSX-ORIJERBGSA-N 382.461 -0.514 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1331539383 MDTARLNRKISLAD-CYBMUJFWSA-N 376.413 -0.782 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)COC)CC1 1359028702 BKBLGTZVEMAWJB-CABCVRRESA-N 398.533 -0.074 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1539323738 KEXZMZSMYSUZCR-AWEZNQCLSA-N 377.470 -0.221 30 10 GBEE C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O 1574215925 HMNMCSMBRYYNDT-PMPSAXMXSA-N 376.457 -0.320 30 10 GBEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1587807810 JDCLJAJFKKBHJH-OLZOCXBDSA-N 382.490 -0.031 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Cn3cncn3)c2)CC1 1588199731 XGAPXCJGJJFHOU-UHFFFAOYSA-N 388.453 -0.448 30 10 GBEE CCOC1CC(CNC(=O)Cn2cc(C#N)c(O)nc2=O)(N2CCOCC2)C1 1618505383 FJEHYRJPMXBSRS-UHFFFAOYSA-N 391.428 -0.793 30 10 GBEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCS(=O)(=O)C1 1689944589 WBIMGZUPHAVNGO-QGZVFWFLSA-N 397.501 -0.185 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690669459 FYYQMURSWYWTET-OLZOCXBDSA-N 387.444 -0.658 30 10 GBEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 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N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 597039581 SJFKKUGZCSHAQD-ZJIFWQFVSA-N 389.433 -0.189 30 10 GBEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 793004914 OJDTVWSZVPTKTK-MCDHWLCHSA-N 392.412 -0.266 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1118105951 MZKNKMJRZQGHFD-KBPBESRZSA-N 391.428 -0.612 30 10 GBEE CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNC(=O)C#CC1CC1 1290269902 PZXQISILDVPKHK-QKPAOTATSA-N 377.441 -0.588 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2(S(=O)(=O)CC)CC2)CC1 1328294230 BRYCHYKFSHHLHS-UHFFFAOYSA-N 383.470 -0.942 30 10 GBEE C#CCN(c1nnc([C@@H]2CNC(=O)C2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1345661464 CATDCVNSOXWZSL-UONOGXRCSA-N 377.470 -0.082 30 10 GBEE C#CC[C@@H](CO)NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 1464040897 RVPZYQOXJUAWSJ-NSHDSACASA-N 380.513 -0.108 30 10 GBEE Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n(C)c1=O 1583061067 KVQRHYROLVSJRD-CQSZACIVSA-N 378.392 -0.411 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1587990448 XMHZYBQKICHTIL-CQSZACIVSA-N 393.473 -0.354 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1740609891 PRDKLGNOQKAAKE-PBHICJAKSA-N 397.501 -0.159 30 10 GBEE C#CCN(c1nnc(C)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 1740616849 IARBNLNPXSQPBD-CQSZACIVSA-N 388.453 -0.245 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1748959944 BFNHKJOABZRJCO-KSSFIOAISA-N 376.461 -0.618 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749667261 WNHMHSWTXZUNCZ-AVGNSLFASA-N 387.444 -0.754 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1760120513 MTXZEHDFGFLHDH-CXAGYDPISA-N 395.485 -0.592 30 10 GBEE CNC(=O)[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1767709542 TYVDGXDZEONNRU-XUVDNFPMSA-N 389.416 -0.936 30 10 GBEE O=C(CNS(=O)(=O)c1c(F)cccc1F)NCC#CCN1CCOCC1 1850241721 DACLEEZLVWFLQQ-UHFFFAOYSA-N 387.408 -0.305 30 10 GBEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N(C)CCO)n1 1871507709 UYVDLPOOPPSZMK-UHFFFAOYSA-N 379.446 -0.289 30 10 GBEE COC(=O)[C@H](CCNS(=O)(=O)N1CC(C#N)C1)NC(=O)OC(C)(C)C 2054405026 IZMMDBUNPLNZTD-NSHDSACASA-N 376.435 -0.267 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CC[C@@](O)(CO)[C@H](O)C2)OC1(C)C 2281806865 MFNLUFZFLIETCK-BDJLRTHQSA-N 384.263 -0.628 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCO[C@H](C#N)C1 2282330084 VFRGOYJKQNTBIP-LLVKDONJSA-N 382.251 -0.368 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCS(=O)(=O)CC1 2282534448 UGPFYFPFIUPNOP-UHFFFAOYSA-N 383.279 -0.020 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H]2CNC[C@H]2O)OC1(C)C 2282869133 XXEYITRZTGPZOG-TZMCWYRMSA-N 382.291 -0.156 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N[C@@H]2C(=O)NC[C@@H]2C(=O)O)OC1(C)C 2284433192 IYOQKVNNCVLTAK-WPRPVWTQSA-N 380.231 -0.024 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2C(=O)NC[C@@H]2C(=O)O)OC1(C)C 2284437809 XVAKIGPEQCLQCJ-YUMQZZPRSA-N 381.219 -0.629 30 10 GBEE 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C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 1261933088 CBUGPGLSWMDYSE-HXUWFJFHSA-N 387.436 -0.055 30 10 GBEE CC#CCCCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O 1281922846 IHKIGWBPLMAQBK-WCVJEAGWSA-N 379.457 -0.319 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 1312055570 QZJNFCUGWLAWNB-CABCVRRESA-N 399.517 -0.429 30 10 GBEE C=CCNC(=O)[C@H](C)N1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1316965878 RQNIGAGBDHUXAO-RFSXOUPVSA-N 376.501 -0.166 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 1322314089 BANYOQBACOIBCY-AWEZNQCLSA-N 377.445 -0.309 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1327102523 BIRBDPDIBLLLOX-MRXNPFEDSA-N 388.468 -0.459 30 10 GBEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3c2CCC3)c(=O)n1Cc1ccon1 1327687736 KTBXSWZNWWDMKX-UHFFFAOYSA-N 396.432 -0.662 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 1330416034 BHMGNPDZDSSEHN-PJIJBLCYSA-N 384.440 -0.120 30 10 GBEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c(F)c1 1337194809 XAITZDDTSISXGU-JTQLQIEISA-N 384.364 -0.755 30 10 GBEE C=CCn1c([C@H](C)CO)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1340489926 DHSVCWGPDPSJOR-OAHLLOKOSA-N 378.477 -0.459 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359293033 FHFKKGXKBGJQDI-KBPBESRZSA-N 394.476 -0.029 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)ccc1F 1455690746 VYDUCOCNTBAEBF-GFCCVEGCSA-N 397.428 -0.387 30 10 GBEE O=C(CNS(=O)(=O)c1ccc(Br)s1)N[C@@H]1CCN(O)C1=O 1468374549 KGMDYIVITOXIEY-ZCFIWIBFSA-N 398.260 -0.105 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)OC)cc1 1472116089 NKSBTVJTSALIMW-AWEZNQCLSA-N 393.425 -0.286 30 10 GBEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 1540551831 QRACXUBLZKNCQC-GJZGRUSLSA-N 394.428 -0.552 30 10 GBEE C#CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1573017979 DDXPIMLEJXKBFQ-WCVJEAGWSA-N 379.457 -0.319 30 10 GBEE 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Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)CCO1 2362341094 KQCFKSUTMZXSPV-UHFFFAOYSA-N 385.251 -0.479 30 10 GBEE C/N=C(/NCC(=O)NCc1ccco1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262533858 JFJAOXWHEJNOQR-OAHLLOKOSA-N 377.445 -0.206 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 366736565 BXEPEVQAZHMBCB-HUUCEWRRSA-N 377.422 -0.672 30 10 GBEE N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCN1C1CC1 732665268 XOXUORUYANFOCQ-AEGPPILISA-N 380.470 -0.779 30 10 GBEE C#CCN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 774198190 UGKZJPQMJJIYGR-CVEARBPZSA-N 398.529 -0.239 30 10 GBEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 854766116 OBBMZYHVTBZGQB-HNNXBMFYSA-N 379.438 -0.737 30 10 GBEE CN(CCC1CCOCC1)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1118838856 OVJNYISNYJLZCX-UHFFFAOYSA-N 389.412 -0.521 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(O)(c3ncnn3C)CC2)CC1 1197458026 FPPPKLRADWIKNN-MRXNPFEDSA-N 389.504 -0.209 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1325209572 IGWWBUQINHFPPE-RDJZCZTQSA-N 390.484 -0.562 30 10 GBEE C#CCN(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1326718128 ZZSMBKWGDGROKT-AWEZNQCLSA-N 376.500 -0.303 30 10 GBEE N#Cc1sccc1N1CCN(C(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)CC1 1350258410 AGHSITJYVPGUHX-BETUJISGSA-N 376.438 -0.105 30 10 GBEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(N)=O)oc2C)CC1 1475010956 CRUYIEDNNHUEMQ-UHFFFAOYSA-N 382.442 -0.867 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1493180173 WIOILHCNASYTRP-PDEVXQQTSA-N 377.485 -0.003 30 10 GBEE N#C[C@@]12CN(C(=O)c3cccnc3N3CCOCC3)C[C@H]1CS(=O)(=O)C2 1538308860 XPCIXPRLGDUJBO-GUYCJALGSA-N 376.438 -0.071 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1541678671 GTLWVFPXWWTGRV-PBFPGSCMSA-N 378.433 -0.315 30 10 GBEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558510921 HLQUNBAIGVTIPD-NHYWBVRUSA-N 385.442 -0.635 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)S(=O)(=O)CC 1587979213 KNSGRRFWPPACQJ-CYBMUJFWSA-N 382.490 -0.030 30 10 GBEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@H]3CCO)CC2=O)cc1 1596883576 UHGATMHXLYMFQE-GOEBONIOSA-N 391.449 -0.081 30 10 GBEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1627721229 ARHNAQMKZNGAKJ-HUUCEWRRSA-N 388.472 -0.162 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)CC1 1705931887 DRHXBYHCSKMKRQ-UHFFFAOYSA-N 398.514 -0.152 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1O 1735784145 MMAGKESTPBDXAV-FPCVCCKLSA-N 378.429 -0.784 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749605937 DRWPMZBUXVEBEL-QWRGUYRKSA-N 377.492 -0.302 30 10 GBEE N#CCC(=O)N1C[C@@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CC1=O 1855334457 OLRPUSSAMBWZHY-CQSZACIVSA-N 383.474 -0.767 30 10 GBEE N#C[C@@H]1CN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(=O)O)CCN1Cc1ccccc1 1924768405 MWVGTKNENZRYNZ-OAGGEKHMSA-N 391.449 -0.032 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](CO)C1CCC1 2282289120 VIZRNLGCRUGFIO-NSHDSACASA-N 386.283 -0.446 30 10 GBEE CC[C@H](CCCO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282321844 CAEFTIQCLBKPHQ-LLVKDONJSA-N 388.299 -0.056 30 10 GBEE CN([C@H]1COC[C@@H]1O)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354893 XIBVVAWVHUDCHB-KBPBESRZSA-N 384.263 -0.239 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@]2(O)C[C@@H]2C1 2282424378 BFOJBTGAEIMIFA-MEBBXXQBSA-N 384.267 -0.740 30 10 GBEE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505962 LMZOKVAOIUZEKN-NWDGAFQWSA-N 387.267 -0.589 30 10 GBEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCC(N)=O 2282513363 ZXGMFPONFCEEAP-UHFFFAOYSA-N 386.235 -0.310 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)OC1(C)C 2289396088 BNYKLJAVMVTSGP-SCVCMEIPSA-N 384.263 -0.772 30 10 GBEE Cc1csc(C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2359267457 JAGLZVCADAHOHG-LOWVWBTDSA-N 383.275 -0.106 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)OC1(C)C 2362504314 BGFGDPSLJCPTAG-MEDUHNTESA-N 384.263 -0.628 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOCC)[C@H](C)C2)c1=O 247276256 ZZNFPPZSCGJVDR-MRXNPFEDSA-N 393.488 -0.456 30 10 GBEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O 273323331 GYPYLQZCGVIEIT-KGLIPLIRSA-N 397.478 -0.014 30 10 GBEE CC(C)(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCOC[C@@H](O)C1 349458893 GPFLWWQRSSQTFL-STQMWFEESA-N 397.519 -0.743 30 10 GBEE CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCOCC2(CC2)C1 349613999 WWDYANXQBOMVPK-UHFFFAOYSA-N 379.504 -0.006 30 10 GBEE C=CCNC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 540798874 MQPFMNDKUREQQY-MCIONIFRSA-N 385.486 -0.486 30 10 GBEE C=CCn1cc(CNC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)nn1 575862253 ZCTOIIXSFZHFQJ-UHFFFAOYSA-N 383.412 -0.098 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)C1=O 656080950 LXNTYTADODKYRK-CAOSSQGBSA-N 380.489 -0.154 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 728608549 GVFPVSROEOPEQG-QGZVFWFLSA-N 398.463 -0.110 30 10 GBEE C=C[C@H](CO)NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 853689110 MMQXMFLNEIKSAW-MRVPVSSYSA-N 384.238 -0.243 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1Br 866552566 BPIDPWSZSZGDPJ-SECBINFHSA-N 396.288 -0.006 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@]12COCCN1C(=O)COC2 876190683 NATNSEJMIGNSQX-GOSISDBHSA-N 381.429 -0.399 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 1118340569 UATVOQWPIPVZGK-OAHLLOKOSA-N 396.447 -0.253 30 10 GBEE CCON(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1329111659 CPBPSWKITMGQGH-UHFFFAOYSA-N 379.442 -0.206 30 10 GBEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C1CCOCC1 1330455771 BQCUPEQLXZPREV-OAHLLOKOSA-N 385.424 -0.499 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CC1 1331249502 HYWYYYGTTBWVNO-CYBMUJFWSA-N 379.367 -0.170 30 10 GBEE C#CCN(C(=O)C(=O)NCCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1345576721 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10 GBEE C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O 1719825130 SFGFAPQMADODPY-UGUYLWEFSA-N 376.457 -0.192 30 10 GBEE Cc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C#CC2CC2)nn1-c1nc[nH]n1 1736475329 BVSUODGYJGHQAJ-RDBSUJKOSA-N 380.412 -0.031 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1760515658 FMVLJEYSSFFVMG-NEPJUHHUSA-N 386.478 -0.584 30 10 GBEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)CCO 1869929872 OPWYGCXPGKYICE-SWLSCSKDSA-N 383.470 -0.047 30 10 GBEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ncc(C#CCO)cn1 1996644896 CCASZHGBKLPYNZ-UHFFFAOYSA-N 386.389 -0.142 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N=[S@](C)(=O)CCN)n1 2267463831 CJZMMJNESQJNDU-XMMPIXPASA-N 392.312 -0.536 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2267488975 VTMWKHBQGMQBJR-RYUDHWBXSA-N 387.288 -0.065 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CNC(C)(C)C1 2282308759 VTSMCXJCHYKHCI-JTQLQIEISA-N 385.299 -0.467 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CCO)CCCN)n1 2282507341 GHWLJEVSWLQPBX-UHFFFAOYSA-N 388.299 -0.949 30 10 GBEE CC1(C)OB(c2csc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3O)c2)OC1(C)C 2282591798 UWKICBYZXSWJEE-WGEPELCKSA-N 383.275 -0.120 30 10 GBEE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2286748395 LUZNWMVIQFEDPO-IHRRRGAJSA-N 384.263 -0.193 30 10 GBEE CC/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCS(=O)(=O)C(C)(C)C1 261971663 MXSIJCSSMSCJQB-CYBMUJFWSA-N 394.563 -0.115 30 10 GBEE C#CCN(CC#C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 267753057 DVEBWFMBDWBYLK-UHFFFAOYSA-N 389.477 -0.108 30 10 GBEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC(N)=O)C(=O)C1 416543494 GKKDASBLMYYGIY-UHFFFAOYSA-N 390.343 -0.105 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nccn2CC(C)C)CC1 508797404 UYPUJDNHQWKABE-UHFFFAOYSA-N 390.488 -0.398 30 10 GBEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 579253194 LFVYDHPEBXNHEU-SAHAZLINSA-N 393.512 -0.124 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CO)C1 600765447 BYPMWWNUMATCDI-QLFBSQMISA-N 393.531 -0.026 30 10 GBEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669036124 SMUMTSPMNUJTHO-UHFFFAOYSA-N 381.466 -0.812 30 10 GBEE C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@H](O)c1cccc(C#N)c1 844365551 GXGXFSWEKMIGJA-RISCZKNCSA-N 385.424 -0.226 30 10 GBEE CN1CCN(Cc2cc(C#N)cc(CN3CCN(C)[C@@H](CO)C3)c2)C[C@H]1CO 931400532 QGEJCJHPQVTSPQ-OYRHEFFESA-N 387.528 -0.225 30 10 GBEE C#Cc1ccc(Cn2nnnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 1120240533 KGHHATQGSCTGQY-UHFFFAOYSA-N 381.440 -0.124 30 10 GBEE CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1287137419 CQDAQLAOARHDHH-QWHCGFSZSA-N 375.433 -0.270 30 10 GBEE C#C[C@H](NC(=O)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1)[C@H]1CCCO1 1328258797 CHBDRYJUMNTMPH-BXTJHSDWSA-N 398.419 -0.346 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCOCCS(C)(=O)=O 1328940807 BKTYTULXOGLTBR-HNNXBMFYSA-N 397.453 -0.773 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 1331616116 WIRUWZCZFDTGAU-ZFWWWQNUSA-N 379.438 -0.238 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CCN1C1CC1 1332528546 GKGKKPQAGLNYIZ-QGZVFWFLSA-N 398.467 -0.267 30 10 GBEE C=CCSCCNC(=O)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1349210542 HIQPHUYXWSEYMF-KRWDZBQOSA-N 385.486 -0.502 30 10 GBEE CN(C)CCN1CCC(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1443454802 ANWMPSBVOHEPLN-UHFFFAOYSA-N 376.461 -0.400 30 10 GBEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(CO)(CO)C1 1471785278 SAIWMQUAQVBNHK-CQSZACIVSA-N 395.481 -0.047 30 10 GBEE N#C[C@@]12CN(CC(=O)NCc3ccc4c(c3)OCO4)C[C@H]1CS(=O)(=O)C2 1473823023 BWDRQTHLKHUQBJ-GUYCJALGSA-N 377.422 -0.098 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)S(C)(=O)=O 1574598146 WRURVBSSWMOICC-ZSAUSMIDSA-N 385.486 -0.283 30 10 GBEE N#C[C@]12CN(CC(=O)NC(=O)NCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1654974430 CSGFNRWEZDBXIH-WMLDXEAASA-N 376.438 -0.117 30 10 GBEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1760329554 DEISQTTUMDDBHF-LLVKDONJSA-N 383.482 -0.138 30 10 GBEE CC1(C)OB(c2cscc2C(=O)NCCCNS(N)(=O)=O)OC1(C)C 2267004189 AVWJQGMWQKIHDP-UHFFFAOYSA-N 389.308 -0.040 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC[S@@](C)=O 2267716060 HKJOCUOLOPLJDB-XMMPIXPASA-N 391.324 -0.234 30 10 GBEE C[C@H]1CS(=O)(=O)CCN1C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281951935 PFUKDICCHPKBSV-JTQLQIEISA-N 384.267 -0.627 30 10 GBEE Cn1nccc1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282319186 PSLZAKYJSLBVRH-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2CCNC(=O)[C@@H]2C(N)=O)OC1(C)C 2282491368 XTVAMUWNWCKSEQ-JTQLQIEISA-N 379.247 -0.527 30 10 GBEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@H]1CCS(=O)(=O)C1 2282543116 ABSQHZFPNKIWOP-NSHDSACASA-N 383.279 -0.022 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN2CC[C@H]1C2 2282854577 UBCBTNCCOQDXSO-LBPRGKRZSA-N 382.295 -0.202 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](C(=O)O)O1 2284400504 WOXPOTYUBRSAHK-SNVBAGLBSA-N 387.223 -0.502 30 10 GBEE COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@H](C)n3cnc(C#N)n3)C2)cc1 409875099 KZJZRTCTSRGERM-NSHDSACASA-N 390.425 -0.091 30 10 GBEE CO[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C[C@H]1OC 582370813 AGNXPZNBMXYMJJ-OKILXGFUSA-N 389.455 -0.477 30 10 GBEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCC[C@H](C(N)=O)C1 585673792 SNAFZZYXVJVGJB-HFQYIPLHSA-N 399.407 -0.216 30 10 GBEE COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O 613308951 OTJXINOZUGLDKM-UHFFFAOYSA-N 380.426 -0.001 30 10 GBEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 785285095 MVRRTPIWGGMNPZ-ZDUSSCGKSA-N 377.372 -0.124 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCC)n1 807129704 DFBGCTFVYMAWSP-IRXDYDNUSA-N 392.456 -0.199 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCCN1CC2 816531455 SEWZNZVRWNEHCP-CQSZACIVSA-N 391.497 -0.379 30 10 GBEE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 855449363 AAQWVNNXRWZGNP-IFUGULHKSA-N 395.437 -0.050 30 10 GBEE C#CCNc1nc(NC[C@@H]2COCCN2C)nc(NC[C@@H]2COCCN2C)n1 858771245 WLDGFGSZFYBTDD-HUUCEWRRSA-N 390.492 -0.598 30 10 GBEE C#CC[C@@H](COC)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 863799920 SPEBAJZSQINNJE-OLZOCXBDSA-N 379.438 -0.159 30 10 GBEE C#CCN(C(=O)C(=O)NCCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1117301775 CXHSTWJJVFBDDO-MRXNPFEDSA-N 383.514 -0.127 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 1286776100 CINBYYJMRKJQKR-WBMJQRKESA-N 398.489 -0.501 30 10 GBEE N#C[C@]12CN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C[C@H]1CS(=O)(=O)C2 1289435856 BEYIWKFQQNZBNG-XHDPSFHLSA-N 380.426 -0.752 30 10 GBEE C#CCN(C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 1319197816 YEGPJPKGKJJYNG-OLZOCXBDSA-N 377.484 -0.382 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1325499471 WWYCKIOBZGWOHC-KUHUBIRLSA-N 384.392 -0.782 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCC(CO[C@H]3CCNC3)CC2)CCN1C1CC1 1332005618 DCAKIYHPXWIHSG-MSOLQXFVSA-N 389.500 -0.198 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCO1 1464371214 DNOKVMVLOWISIA-AWEZNQCLSA-N 385.490 -0.739 30 10 GBEE C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CS2 1472370370 GLTWPDSMPWKFHX-BZNIZROVSA-N 375.410 -0.342 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 1642589593 QDZSRVXRVCEWCE-UHFFFAOYSA-N 399.498 -0.739 30 10 GBEE COC(=O)[C@@H](O)CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1653986122 PDQSZCLSPYMJEB-LBPRGKRZSA-N 383.426 -0.455 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690669835 QCPLCMZHJWZJKQ-VXGBXAGGSA-N 396.473 -0.845 30 10 GBEE C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCNC(N)=O)nn1 1702914476 KGWTZEPDINCLSH-DYEKYZERSA-N 375.433 -0.226 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCCC1 1722353608 YHOATIRVFVWGGA-HNNXBMFYSA-N 396.517 -0.224 30 10 GBEE C=CCOCC(=O)N1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1757698778 RUZJUWXNHCKKML-HEGZZJKFSA-N 389.452 -0.460 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1757836128 JIWZQBKSFQXVAG-BNOWGMLFSA-N 376.413 -0.852 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NCC#CCN1CCOCC1 1850069962 KUGOBGCVQIHXRO-AWEZNQCLSA-N 383.445 -0.056 30 10 GBEE CN1CC[C@@H](N2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)C1=O 1856862645 URWFAXVQKFMTPS-DLBZAZTESA-N 396.451 -0.457 30 10 GBEE C#CCN(C)S(=O)(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2086866247 VWLDAEHFIHALKF-ZDUSSCGKSA-N 375.406 -0.299 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN[C@H]2C[C@@H]21 2282340623 IEHKUJLBWNRGSP-RTXFEEFZSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3COC[C@@H]3CN)c2)OC1(C)C 2282352593 AYPXRKXCBJZDNU-SMDDNHRTSA-N 383.279 -0.367 30 10 GBEE COC(=O)C[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282410460 WVPRAJVEEQTTGR-SNVBAGLBSA-N 387.267 -0.051 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCc2ncno2)n1 2282493569 UNWWWNPHDAZIGM-UHFFFAOYSA-N 383.239 -0.377 30 10 GBEE CC(C)[C@@H](O)[C@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282841348 UKONTMANHCEZGZ-WDEREUQCSA-N 388.299 -0.202 30 10 GBEE Cc1nc(S(=O)(=O)N2CCN[C@@H]3C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843063 HKTAULTWMKZKQK-NEPJUHHUSA-N 382.295 -0.237 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCCC(N)=O 2282855499 FPBPFKRILBXHNS-UHFFFAOYSA-N 386.283 -0.347 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 749665527 DYTWKITZVBPUPO-UHFFFAOYSA-N 385.424 -0.026 30 10 GBEE C#CCN1CCN(C(=O)Cn2cnc3c(C(=O)OCC)snc3c2=O)CC1 845321710 OAIVXUKYEKYPTI-UHFFFAOYSA-N 389.437 -0.193 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CC(N2CCOCC2)C1 862103897 BSDQIUXXONDGNF-UHFFFAOYSA-N 378.454 -0.296 30 10 GBEE NC(=O)C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 863486788 FBSRLSGFKOAULE-LBPRGKRZSA-N 394.453 -0.392 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2[nH]cnc2Br)CC1 866437023 WNEDDROCLCXWNB-UHFFFAOYSA-N 392.279 -0.219 30 10 GBEE C#CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@@H]1CCS(=O)(=O)C1 1116740760 GAFNLMSQTMOODT-CQSZACIVSA-N 376.438 -0.720 30 10 GBEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 1117886885 WBDXGRMBZKRONE-HXUWFJFHSA-N 381.436 -0.055 30 10 GBEE CCS(=O)(=O)CCN(C)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1118319633 NCUAJCTWSCTPRC-HNNXBMFYSA-N 381.454 -0.057 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(OC)(OC)[C@@H](O)C2)cc1 1162895349 KIOSNPIBINRKKQ-HNNXBMFYSA-N 382.438 -0.206 30 10 GBEE C#CCN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)CC1 1262743960 ZNJWXBGEVWGJBB-QGZVFWFLSA-N 384.436 -0.260 30 10 GBEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286347899 RNXPWQKSFGORHD-HNNXBMFYSA-N 387.488 -0.147 30 10 GBEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCO 1288870660 QIFSTMDMKDXVOM-OLZOCXBDSA-N 386.478 -0.220 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCCN2CCOCC2)CC1 1321584760 QUJRTKAGVWHOCL-UHFFFAOYSA-N 378.473 -0.797 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 1322715434 DWXXFWGIRWNGKJ-CHWSQXEVSA-N 385.428 -0.878 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C1 1327794514 UUOPWVLXAMGEBX-AWEZNQCLSA-N 378.454 -0.262 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 1328385885 NQFLVTHPFMAXCG-INIZCTEOSA-N 378.473 -0.444 30 10 GBEE CN(C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1330453120 LHODCNAZCBCTDD-IRXDYDNUSA-N 377.489 -0.246 30 10 GBEE CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 1334475870 PEEDEFKSCAVKHY-UHFFFAOYSA-N 396.411 -0.817 30 10 GBEE CCC[C@@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 1335057546 DPAYQKVDAXNMTR-CYBMUJFWSA-N 375.385 -0.769 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1335472061 QHZUJJBHWHUFKO-OAHLLOKOSA-N 377.441 -0.787 30 10 GBEE C#CCN(c1nnc(C2(CO)CCOCC2)n1CC)[C@H]1CCS(=O)(=O)C1 1340387123 RWGVIGYYCHPDGA-AWEZNQCLSA-N 382.486 -0.035 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1345892977 KEMSBBOOFFIREW-KEYYUXOJSA-N 386.470 -0.500 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CC1 1352965389 GDLXUDVOIKIVKP-ZWKOTPCHSA-N 390.528 -0.152 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C(=O)NC 1359291329 MJEMOYSMSBLZDP-CYBMUJFWSA-N 391.476 -0.365 30 10 GBEE C#CCN1CCN(C(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)CC1 1470908270 NDBJEFCWJKPPDE-UHFFFAOYSA-N 384.440 -0.502 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cc[nH]n1 1507651915 FGPHTQLPFKOZTH-CYBMUJFWSA-N 380.412 -0.545 30 10 GBEE N#Cc1cn(CCNC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)c(=O)nc1O 1633550398 PGICSVNMQYWBAX-SNVBAGLBSA-N 387.318 -0.262 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1 1639817256 PTJBUIARMOIZST-GFCCVEGCSA-N 385.467 -0.651 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 1643372469 MVQPSJKFDIUQPW-UHFFFAOYSA-N 382.398 -0.171 30 10 GBEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689908033 UQQFFKBRGIUJIC-AWEZNQCLSA-N 399.455 -0.926 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCOC)CC1 1690122431 QRSSYDIOAIBADJ-OAHLLOKOSA-N 376.461 -0.353 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1O 1702213856 MIERGJQDIUBWAP-FPCVCCKLSA-N 379.457 -0.286 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CNC[C@H]2O)OC1(C)C 2267473514 HAFVSMPXSPJDAF-GXSJLCMTSA-N 389.308 -0.806 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2[C@@H](O)C[C@H]2C1 2282350648 PVYKBAQMTPJDII-LOWVWBTDSA-N 383.279 -0.279 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](C(N)=O)C1CC1 2282853827 JTHMUSSBUAXVOQ-NSHDSACASA-N 384.267 -0.739 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@@H](O)[C@@H](CO)C3)c2)OC1(C)C 2282860831 GYDNHYVXEIWPQD-IUODEOHRSA-N 383.275 -0.041 30 10 GBEE C=C[C@H](NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400455 WDYUYTRHEKSHLG-JTQLQIEISA-N 385.251 -0.055 30 10 GBEE 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C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 592951062 XSQJWVMLZOIKQT-CYBMUJFWSA-N 393.469 -0.585 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)NC1(C#N)CCCCC1 598636686 MEBGPUJYXGBFJF-STQMWFEESA-N 391.428 -0.503 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)CN2CCN(CC)C(=O)C2=O)n1 790105457 JQQYSLZTYXJBQI-UHFFFAOYSA-N 375.429 -0.818 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 812536006 MYSUFKWSEHVWTI-KRWDZBQOSA-N 389.477 -0.016 30 10 GBEE C#CCN1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)CC1 830078553 FMGOPGMERNTPDD-UHFFFAOYSA-N 392.393 -0.483 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCSCC1 848959760 POEMHALQQCWJGT-UHFFFAOYSA-N 379.529 -0.066 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 850833511 UDDMVZBSDZKTMW-AWEZNQCLSA-N 377.463 -0.491 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1118098349 YWNFZCVMKVRKCL-JKSUJKDBSA-N 385.420 -0.357 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 1261396173 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-0.229 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ncn(C)n2)CC1 1359044797 OUVBZAZGIKMRAI-HNNXBMFYSA-N 398.471 -0.075 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCNC(=O)COC)[C@@H]2C1 1512816645 UUWFTUYZRDRTQM-JJXSEGSLSA-N 379.457 -0.211 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2nc(C)no2)C1 1513582051 ULSCASIRJPRZMB-LOUJCGABSA-N 378.429 -0.020 30 10 GBEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)cc1 1525070528 UVTRPTRUUJDRHU-HNNXBMFYSA-N 377.422 -0.159 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)s1 1566376092 FTLZLZJPXNTJPK-PWSUYJOCSA-N 387.483 -0.096 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)NC 1587569233 VPSXYWBAUSXBNX-XJKSGUPXSA-N 385.490 -0.063 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCNC3=O)CC2)cc1 1588158108 ORPGPPCHMDHNBP-CQSZACIVSA-N 376.438 -0.083 30 10 GBEE Cc1ccc(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)cc1S(=O)(=O)NCC#N 1645226759 OYDHACUDDFZFNE-ZDUSSCGKSA-N 392.437 -0.880 30 10 GBEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)CC(=O)N1CCOCC1 1690725349 NFCNPQOMOBECEW-UHFFFAOYSA-N 385.490 -0.264 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 1705890817 JNJYQTSXWDMITL-NWDGAFQWSA-N 384.462 -0.891 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1705902320 BNBHEUCMAWRHOF-AWEZNQCLSA-N 391.476 -0.064 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOCC)c2)C[C@@H]1O 1735961741 GFYNJQAURPQBQU-NCOADZHNSA-N 392.456 -0.188 30 10 GBEE O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCC#CCN2CCCCC2)N1 1852134148 OXUZZIFPFQQZRL-GJZGRUSLSA-N 378.498 -0.228 30 10 GBEE Cn1c(N2CCN(C(=O)COc3ccccc3C#N)CC2)cc(=O)n(C)c1=O 1852257666 NOSMYLTWSHXXBT-UHFFFAOYSA-N 383.408 -0.317 30 10 GBEE C#CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)CN1C(=O)c1ccc(F)cc1 1853303657 YPOZXDHLGMQSAL-OAHLLOKOSA-N 380.397 -0.227 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2COC[C@H]2O)OC1(C)C 2267709053 VHFDVVZJJTYGFO-GXSJLCMTSA-N 390.292 -0.379 30 10 GBEE CC1(C)OB(c2csnc2C(=O)NCC2(O)CS(=O)(=O)C2)OC1(C)C 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C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1354841149 DKAMUWRRDLAJTF-HNNXBMFYSA-N 399.513 -0.052 30 10 GBEE C=CCCCN(CC)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1356423565 LUZKGRBJLBOVGZ-UHFFFAOYSA-N 380.489 -0.196 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1359024599 QIPMWSXLPGVYCP-CQSZACIVSA-N 393.473 -0.442 30 10 GBEE CCOC(=O)CON=C(C(=O)NC[C@H](C)CN1CCN(C)CC1)c1cc[nH]n1 1443428374 JLBSBBYEECFFAD-AWEZNQCLSA-N 394.476 -0.307 30 10 GBEE N#C[C@@]12CN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)C[C@H]1CS(=O)(=O)C2 1470898975 QWJMWSLJKCKEPL-ZQIUZPCESA-N 395.485 -0.144 30 10 GBEE C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCCn3cc(C#N)c(O)nc3=O)O2)CO1 1471379537 ALRBQAZEIOGAOC-ZUCKAHLUSA-N 377.401 -0.154 30 10 GBEE N#C[C@@]12CN(C(=O)CCNS(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1472036071 RCUXNUQQZOHTTI-BBRMVZONSA-N 397.478 -0.248 30 10 GBEE Cc1cccc(OCCCNC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c1 1473059699 UWKSDUTZJUKOJE-UHFFFAOYSA-N 386.408 -0.232 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1587989082 GPTWRELNEIVHFF-CYBMUJFWSA-N 395.485 -0.468 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 1643370504 ZGQMSHNNDLCRFD-OAHLLOKOSA-N 392.437 -0.612 30 10 GBEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2n1CCNC2=O 1649371684 PBRCDEGJCDHDFG-GFCCVEGCSA-N 390.444 -0.013 30 10 GBEE C#C[C@@H]1COCCN1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1669430015 BVVDTAPBHAHYMD-CQSZACIVSA-N 381.458 -0.383 30 10 GBEE C=CCNC(=O)NC(=O)CNCC1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1733951499 MHOSSRKYWAVOOT-NTLYZBQWSA-N 376.457 -0.094 30 10 GBEE C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1O 1735740909 GQCYHLUMSSDZOM-OXHZDVMGSA-N 378.347 -0.176 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](OC)C1 1739574602 MANYHVPTVWOBHV-APIJFGDWSA-N 388.486 -0.257 30 10 GBEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1769242008 KYMHJANVQVZZNQ-HNNXBMFYSA-N 397.439 -0.144 30 10 GBEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(S(=O)(=O)c2cncc(C#N)c2)C1 2118168324 RYMNSWIHMHXGLT-UHFFFAOYSA-N 381.414 -0.294 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)O 2184018207 IBURHKITLKKFCZ-XQHKEYJVSA-N 385.417 -0.019 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCCF 2267716799 STWYGBGBLZSWPS-UHFFFAOYSA-N 377.247 -0.016 30 10 GBEE C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282092945 WLETTYQEUKGCHD-JTQLQIEISA-N 386.283 -0.381 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)O1 2282314375 YOGFPGTWYPHPOU-PHIMTYICSA-N 386.283 -0.088 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1NC[C@@H]2C[C@H]21 2282336664 APUXJQWABCULEE-LOWVWBTDSA-N 382.295 -0.395 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1NC[C@H]2C[C@@H]21 2282336666 APUXJQWABCULEE-MDZLAQPJSA-N 382.295 -0.395 30 10 GBEE C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282422233 ZAXBSDSARUKMCB-BMIGLBTASA-N 386.283 -0.040 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2COCC[C@@H]21 2282831505 AAYLIWWCUSBFQD-QWRGUYRKSA-N 384.267 -0.476 30 10 GBEE CN(C1[C@@H]2CNC[C@@H]12)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837584 FRQRXMBRJDRTES-GHMZBOCLSA-N 382.295 -0.442 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCOC[C@H]2CO)n1 2282839729 IEWLDYCILXWFMI-LLVKDONJSA-N 387.267 -0.899 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H](C)CO1 2282847426 YSBHFXATQMSPLJ-QWRGUYRKSA-N 386.283 -0.088 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNCC12CC2 2282857614 KNMGVAPFNCOJCS-UHFFFAOYSA-N 382.295 -0.154 30 10 GBEE C[C@H]1C[C@@]1(NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284407229 JBHZRESKKDCEQZ-RTHLEPHNSA-N 386.239 -0.744 30 10 GBEE CO[C@H]1[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 2286748397 LUZNWMVIQFEDPO-MJBXVCDLSA-N 384.263 -0.193 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1[C@@H]2C[C@H]1CN2 2359272572 ALIWOEKFONVCNJ-AXFHLTTASA-N 383.283 -1.000 30 10 GBEE C#CC(CO)(CO)N[C@](C)(C[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)O 2377342290 FEYYOJVWPSMAPP-CXAGYDPISA-N 386.445 -0.198 30 10 GBEE CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 371622816 YLUPAHGVXDUEMQ-CYBMUJFWSA-N 384.483 -0.044 30 10 GBEE C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 438878984 SZWJWYNKJYRVBB-ZDUSSCGKSA-N 393.469 -0.020 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)Cn3cncn3)CC2)c1C#N 552827271 OMYUYPSFLLXPJJ-GFCCVEGCSA-N 385.432 -0.955 30 10 GBEE C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)NC1CC1 727010074 LPRMIMMDGNPCGA-GFCCVEGCSA-N 386.408 -0.043 30 10 GBEE C#CCOc1cccc(NC(=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)c1 737287777 GUEHDXIMSFTFAN-HNNXBMFYSA-N 386.408 -0.510 30 10 GBEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)CC(=O)N1CCNCC1 841156349 LPRXYBVNAGBJDR-UHFFFAOYSA-N 376.388 -0.334 30 10 GBEE C=CCOCCNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1118623002 QGXMXTPKXPJMIO-UHFFFAOYSA-N 398.460 -0.499 30 10 GBEE N#Cc1cn(CCC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c(=O)nc1O 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TZOMYVTYAVNVRD-HNNXBMFYSA-N 376.461 -0.336 30 10 GBEE C#CCN(C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1341715200 RCWHRDODMNFQIM-INIZCTEOSA-N 398.529 -0.239 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1345892976 KEMSBBOOFFIREW-JKIFEVAISA-N 386.470 -0.500 30 10 GBEE C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCCn3cc(C#N)c(O)nc3=O)O2)CO1 1471379536 ALRBQAZEIOGAOC-NDGTYSDOSA-N 377.401 -0.154 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCNc2ccc(C)cn2)CC1 1479404067 CHKMAEOKSPQVEG-UHFFFAOYSA-N 380.474 -0.403 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 1563430409 KNBJCVDXQFCBTR-UHFFFAOYSA-N 380.426 -0.290 30 10 GBEE N#C[C@@]12CN(C(=O)NC[C@@H]3CCCS(=O)(=O)C3)C[C@H]1CS(=O)(=O)C2 1564862592 XESGWXIHMPFMTK-OBJOEFQTSA-N 375.472 -0.609 30 10 GBEE CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1587525511 GLAVBDQKUNGJNS-GFCCVEGCSA-N 379.442 -0.021 30 10 GBEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)o1 1620350530 HYHKAWGCCLYDFY-CYBMUJFWSA-N 390.425 -0.023 30 10 GBEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1ccccc1C#N 1655287291 ISSDIKBZJIOFCV-HUUCEWRRSA-N 382.438 -0.040 30 10 GBEE C=CCn1cc(C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1680891740 RODNGYQVOKTCJU-KQTLUZQSSA-N 377.445 -0.077 30 10 GBEE Cc1nn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)c(=O)n1C 1686228651 ALZNMWRYIFWGIE-UPJWGTAASA-N 378.458 -0.605 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1699626369 RWFHNWLFAFNUFH-RZLSGREXSA-N 380.445 -0.760 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C 1735821780 BHBMBZIKXONCPK-CTASWTNQSA-N 387.502 -0.130 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F 1760163575 XAOTVVOOGAWWRE-SECBINFHSA-N 396.395 -0.364 30 10 GBEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)CCO1 1850834989 DTCFTRWLBNABKO-WDEREUQCSA-N 384.380 -0.154 30 10 GBEE Cc1nn(CC(=O)NCC#CCN2CCCC2)c(C)c1S(=O)(=O)N(C)C 1850994228 MAAZJECMXQPSBB-UHFFFAOYSA-N 381.502 -0.034 30 10 GBEE 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390.483 -0.324 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cncc2nc[nH]c12 1686026314 CMTULDLQCJVMIM-ZLDLUXBVSA-N 380.408 -0.041 30 10 GBEE C#CCNC(=O)CC(=O)N[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CC1 1687961537 JETHXEAHXXJODQ-OIPACUDHSA-N 377.441 -0.812 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCCN(C)C 1719837961 HKZSNSXLGVRRKJ-OWSLCNJRSA-N 376.501 -0.090 30 10 GBEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CC(F)(F)F)C(=O)C2)C1 1856850069 KHPFWECHHZNLMP-SNVBAGLBSA-N 382.364 -0.463 30 10 GBEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2=O)CC1 1857071325 JJWUZVQEOCPQDH-HOTGVXAUSA-N 385.424 -0.382 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N[C@H](CS)C(=O)O)C1 2020908571 QFCXIOYOXMWUFS-BDAKNGLRSA-N 382.460 -0.480 30 10 GBEE CN1C[C@H](NC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C(=O)N1 2282037999 CGIJRANEBNPYLC-QMMMGPOBSA-N 383.645 -0.552 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@@H]2C1=O 2282421520 OSNFMMOIFHUTCZ-ZJUUUORDSA-N 382.251 -0.329 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H](N)C[C@@H](C(N)=O)C2)OC1(C)C 2282527145 YYIYTRCBUJPNJC-ZJUUUORDSA-N 380.279 -0.283 30 10 GBEE Cc1cc(C(=O)NC[C@@H]2NC[C@H](O)[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282597141 FJQAILJICUQJMZ-AVGNSLFASA-N 382.291 -0.221 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCS(=O)(=O)C(F)F 2282681900 ZKJDEEKUAYVZSR-UHFFFAOYSA-N 394.209 -0.519 30 10 GBEE C[C@H]1COC[C@H]1N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282867798 DQPMYYNOZKUXDA-WDEREUQCSA-N 386.283 -0.230 30 10 GBEE COCCn1cc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 288835519 PFRYKHPBVAZWLF-UHFFFAOYSA-N 397.439 -0.239 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 425908051 FLYAZFZFUYAXQV-HOTGVXAUSA-N 380.489 -0.294 30 10 GBEE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 566488580 IEHBFYJCVHXPCP-CHWSQXEVSA-N 375.428 -0.819 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CCN(C)C)C(=O)C2)CC1 593049664 CHSBGSZXCIFCBO-QGZVFWFLSA-N 378.521 -0.615 30 10 GBEE 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C#CCN(C(=O)NC1CCN(S(=O)(=O)CC)CC1)[C@H]1CCS(=O)(=O)C1 1116473191 HVHKNXPXMBHTSU-AWEZNQCLSA-N 391.515 -0.368 30 10 GBEE O=C(CN1CCCC2(CC2)S1(=O)=O)NCCN/C(O)=C1/N=CC=CC1=O 1144429831 ZLAZAFVRZBGLTL-PFONDFGASA-N 382.442 -0.413 30 10 GBEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCC#CCO)ncnc1-2 1235586062 WWIUHFDBYOOTIL-UHFFFAOYSA-N 382.222 -0.794 30 10 GBEE COC(=O)C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 1261518009 HKXYHVVBGXJVGG-JKSUJKDBSA-N 389.408 -0.159 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1289308439 LWIZMBUEZRZBHE-CTASWTNQSA-N 387.502 -0.130 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1300303832 KUAQFUSFWPFWJB-HWWQOWPSSA-N 381.458 -0.763 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1300528967 CQKNUIQVHLQOGI-UHFFFAOYSA-N 385.453 -0.157 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CCO1 1321366286 IUIPXGXIRMHWPP-LLVKDONJSA-N 384.380 -0.011 30 10 GBEE CO[C@]1(CO)CCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1327631509 SCCXIKVHQDFPDK-LJQANCHMSA-N 387.440 -0.398 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)c1 1329572980 FUPRFGVSXSVBGH-UHFFFAOYSA-N 382.463 -0.285 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 1330936156 VKQKDEUSUDGIJR-AWEZNQCLSA-N 399.455 -0.185 30 10 GBEE C#CCOCCNC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC 1334035948 XNXLTBXOCMXJMI-CQSZACIVSA-N 383.445 -0.153 30 10 GBEE C#CCN(CCOC)c1nnc(C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359018876 FEJCSNNNZNKDOM-UHFFFAOYSA-N 384.440 -0.064 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 1456518129 NWHFPECNEJFVGI-BETUJISGSA-N 383.451 -0.660 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N(C)CC(=O)N1CCOCC1 1515967428 VDPITGJXFUOCDI-GJZGRUSLSA-N 378.477 -0.113 30 10 GBEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1628965177 IUYXIPKJBHWEJN-HOCLYGCPSA-N 382.428 -0.586 30 10 GBEE C#CC1(O)CN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 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30 10 GBEE CCO/C=C\[C@@](O)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1159761004 ABGVYHBUVUTRFQ-DHCBQETCSA-N 376.291 -0.220 30 10 GBEE CS(=O)(=O)c1ccc(NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1304270845 JDBMBFIAOKREKO-BLLLJJGKSA-N 397.478 -0.101 30 10 GBEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)C2 1326700508 COBNROZCEYBZOO-QEJZJMRPSA-N 377.445 -0.174 30 10 GBEE CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1348627718 ZCCKGUMAGDZVIZ-GOEBONIOSA-N 375.473 -0.052 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 1348675555 MZXMPDKASRLALX-GXTWGEPZSA-N 379.438 -0.368 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1350927045 QEFJAEUGWKHYFC-UONOGXRCSA-N 397.497 -0.602 30 10 GBEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358964125 UGWQKTUQDUZGBX-ZIAGYGMSSA-N 395.485 -0.455 30 10 GBEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1 1455094906 QTWJSTWPDDOFOH-RDJZCZTQSA-N 391.449 -0.021 30 10 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CN1C[C@@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C(=O)N1 2282868225 KSZPJIAUWRYLRE-GFCCVEGCSA-N 381.263 -0.391 30 10 GBEE CCCCC#Cc1nc(N)c2c(n1)N([C@@H]1O[C@H](C(=O)NCC)[C@H](O)[C@H]1O)CN2 299803382 MPNHPTGERJKBPH-ZUMXRPEOSA-N 390.444 -0.627 30 10 GBEE CNC(=O)NC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 528627110 GLNZDOJECOQQAJ-HZPDHXFCSA-N 380.493 -0.691 30 10 GBEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC)CC1 549089163 IMYSYJBLXPXSJT-ZDUSSCGKSA-N 399.521 -0.668 30 10 GBEE CN(CCC#N)S(=O)(=O)NC[C@@]1(CO)COCCN1Cc1ccccc1 595359651 RWDPJJGOPQUNNH-QGZVFWFLSA-N 382.486 -0.070 30 10 GBEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC)cn1)[C@@H]1CCS(=O)(=O)C1 792397496 LMICIAXAPFXERR-LLVKDONJSA-N 386.455 -0.356 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC 812089118 UQBFSJUBWADSTR-CQSZACIVSA-N 381.458 -0.670 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ncc(Cl)s2)CC1 872805072 RFQGKQDOVKJMQE-UHFFFAOYSA-N 385.877 -0.141 30 10 GBEE C#C[C@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)[C@@H]1CCCO1 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30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)NC3(CO)CNC3)ccc2F)OC1(C)C 2282846588 LWNKGWDNIQFZBQ-UHFFFAOYSA-N 386.254 -0.263 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1[C@@H]2CCCN[C@H]21 2282850996 WAEVFVBSDLTYAI-RAIGVLPGSA-N 382.295 -0.252 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ccncn1 2282854540 SUQCYMNMJKXHED-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H]1C(N)=O 2282864835 LNPLWCKETWFCRO-NSHDSACASA-N 384.267 -0.642 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCCC(=O)O 2284409910 OWNYMCLDXYRJSS-UHFFFAOYSA-N 389.239 -0.206 30 10 GBEE CCNC(=O)C1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460815373 ULSXISNJVMNCQG-UHFFFAOYSA-N 381.396 -0.020 30 10 GBEE C[C@H](CNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1)S(N)(=O)=O 595095893 UAXXHBDJMRRBIE-SNVBAGLBSA-N 385.471 -0.938 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cn3cc(C)sc3n2)CC1 831584807 PEDIDWSBKGCVBJ-UHFFFAOYSA-N 381.483 -0.141 30 10 GBEE C#C[C@H](CO)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 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383.275 -0.120 30 10 GBEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCNC1 2282832666 BNPYETARIJUUKE-NWDGAFQWSA-N 384.311 -0.004 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CC(=O)NC[C@@H]2C(=O)O)OC1(C)C 2284492840 SXFIWNKVAAVIDB-SECBINFHSA-N 381.219 -0.533 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 365674082 CFQFZUAWSYSMNT-DUVNUKRYSA-N 376.438 -0.051 30 10 GBEE CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C#N)n(C)c2)c1=O 588581401 AKERHOPPRFGTFM-UHFFFAOYSA-N 399.476 -0.204 30 10 GBEE C=C(CNS(=O)(=O)[C@@H]1CCO[C@@H]1C)CNS(=O)(=O)[C@@H]1CCO[C@@H]1C 660129328 PYYONZROQRQBEW-AAVRWANBSA-N 382.504 -0.264 30 10 GBEE N=c1nc(O)n([C@H]2CC[C@@H](CO)O2)cc1C#CCNC(=O)CCCCON 725429773 XKDNOQJYCFIBSV-DZGCQCFKSA-N 379.417 -0.734 30 10 GBEE C#Cc1ccc(S(=O)(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 907149977 WKZGYUZIRIBHIU-UHFFFAOYSA-N 389.437 -0.681 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1OC 941975595 PPXFWAYHVQNXDM-MYPMTAMASA-N 377.445 -0.061 30 10 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N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C3(O)CCOCC3)CC2)cc1 1559639800 BTAIQXXCHAWERN-QGZVFWFLSA-N 395.481 -0.233 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(C3OCCO3)s2)CC1 1636479443 BAIGEJOHTVODHV-UHFFFAOYSA-N 386.455 -0.586 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 1650846386 UWVYODAEPFVWGD-UHFFFAOYSA-N 376.438 -0.257 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3nc(C)oc3c2)CC1 1671159708 WYBUIPBYKYMHRX-UHFFFAOYSA-N 398.466 -0.090 30 10 GBEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1740297124 MNVWJJDBBINUDG-RDBSUJKOSA-N 378.429 -0.231 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1740960198 MZZCTOWKVDMSDD-ZDUSSCGKSA-N 398.489 -0.487 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1 1760520874 CDZZICBSWPYQTQ-OLZOCXBDSA-N 378.433 -0.617 30 10 GBEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O 2059565702 DESFKGWSWOPIQQ-QWRGUYRKSA-N 376.431 -0.093 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](N)CO 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GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 849959419 BNUUVTZMTHFAGK-GFCCVEGCSA-N 377.401 -0.552 30 10 GBEE CN1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCC1=O 1116212009 FJXTYHZXMSDZTG-AWEZNQCLSA-N 381.396 -0.126 30 10 GBEE C[S@](=N)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1184225609 DDRDTRSAERTYPS-XMMPIXPASA-N 385.471 -0.428 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)F 1286272443 BTHQYXUTJHPIBW-VHSXEESVSA-N 392.432 -0.273 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CCOC)nn1 1292102565 NWIYFTWBAAGEQA-FMKPAKJESA-N 375.429 -0.174 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCS(=O)(=O)CC1 1300459191 ZCALHMPJDIFFCV-LBPRGKRZSA-N 381.458 -0.762 30 10 GBEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCOC1 1316212089 VQRRERCTHVWHKK-CKEIUWERSA-N 381.433 -0.118 30 10 GBEE C=CCOCCNC(=O)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 1330647744 AGBSMGJMKZMXSV-OAHLLOKOSA-N 390.488 -0.156 30 10 GBEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCC(n3cc(C(N)=O)nn3)CC1)C2 1331429480 LESKCMBOBVVUSG-UHFFFAOYSA-N 393.407 -0.045 30 10 GBEE C=C(C)Cn1c([C@@H](C)O)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1346314829 BCGSGLJNZWQGTC-OAHLLOKOSA-N 378.477 -0.112 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1359024282 JZXGQMXKTQWTIZ-CABCVRRESA-N 398.485 -0.318 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C(=O)OCC)c2ccccc2)CC1 1471451037 MNQWBUQBRRNRGA-MRXNPFEDSA-N 393.465 -0.055 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(=O)NCC23COC3)s1 1471547682 JFVQMXROJNEFSA-UHFFFAOYSA-N 399.494 -0.128 30 10 GBEE N#C[C@]12CN(C(=O)CCCS(=O)(=O)N3CCCC3)C[C@H]1CS(=O)(=O)C2 1538761124 QYEBXJFZTBMVMM-DZGCQCFKSA-N 389.499 -0.411 30 10 GBEE C#CCN1CCN(c2nnc(C3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1588805782 BKLYFNGGNNSJDP-KRWDZBQOSA-N 379.486 -0.540 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1 1643372307 GAYVKSOSFPPWCW-UHFFFAOYSA-N 391.453 -0.558 30 10 GBEE CNS(=O)(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(C#N)c1 1719886550 FJSRMOJLSMNPBC-MCIONIFRSA-N 379.442 -0.313 30 10 GBEE CC[C@H](C#N)N1CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CC1 2201046950 NHZPXQLISBWAMI-APIJFGDWSA-N 382.461 -0.226 30 10 GBEE C#CC[C@@H](CO)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244225152 BAUZDRVWVGTHQP-KBPBESRZSA-N 384.410 -0.330 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC3(C2)OCCO3)n1 2255799310 GIYJBKPMMLVEHF-UHFFFAOYSA-N 399.278 -0.143 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC[S@@](C)=O 2267376057 QBCLOEQNMWSCQE-XMMPIXPASA-N 391.324 -0.234 30 10 GBEE CNS(=O)(=O)CCNC(=O)c1ncc(C)cc1B1OC(C)(C)C(C)(C)O1 2281949777 NKKGNMSLTKDAHG-UHFFFAOYSA-N 383.279 -0.032 30 10 GBEE C[C@H]1OCC[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282304424 KKAGTOKYVTWXRE-MNOVXSKESA-N 386.283 -0.182 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H](N)C3(CC3)C2)n1 2282414162 OZHNNHDALLNDMV-GFCCVEGCSA-N 382.295 -0.169 30 10 GBEE Cc1nc(S(=O)(=O)N2C[C@H]3C[C@@]3(N)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508565 XYDCJPSQWSMGRN-BDJLRTHQSA-N 382.295 -0.251 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@]2(CO)CCOC2)n1 2282510578 ANKKFVIMRDPZFM-OAHLLOKOSA-N 387.267 -0.851 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H]2CNC[C@@H]2O)OC1(C)C 2282835740 AVIPNYMFCLHAGV-CABCVRRESA-N 382.291 -0.262 30 10 GBEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857364 HCYQCKVLLHSHKH-GFCCVEGCSA-N 383.279 -0.228 30 10 GBEE C#CCOCCN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282863081 MUNAOFAPEBYMNZ-UHFFFAOYSA-N 383.279 -0.010 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(C)(C)CC(=O)O 2284403126 NTOXEEWKLNGSFI-UHFFFAOYSA-N 388.255 -0.354 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@H](O)[C@H](CO)C3)ns2)OC1(C)C 2289486028 QTVNCEGCHQTNOG-XHVZSJERSA-N 384.263 -0.772 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nn(C)cc2C(=O)OCC)C1=O 281457151 NLSGCTCXLDMJNV-LBPRGKRZSA-N 377.401 -0.219 30 10 GBEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 532894414 DZSPOWSIEJHUPG-NSHDSACASA-N 379.383 -0.317 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 544835378 LPHFSDBNDZAXOS-UHFFFAOYSA-N 382.380 -0.421 30 10 GBEE N#Cc1ccc2ncc(CN[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n2c1 566752762 GDXBTNIUCXFGHE-HZPDHXFCSA-N 375.454 -0.207 30 10 GBEE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 592338880 FLMMSHCCPDRGAW-IUODEOHRSA-N 383.408 -0.578 30 10 GBEE CCO[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1CN 593769943 GIAOECOMFJKMRX-HZPDHXFCSA-N 397.439 -0.041 30 10 GBEE C#C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 854766883 XHWPYJJDJKBXFV-OAHLLOKOSA-N 379.438 -0.737 30 10 GBEE N#C[C@@]12CN(C(=O)NCC3CCS(=O)(=O)CC3)C[C@H]1CS(=O)(=O)C2 1225463618 AVPVCOAIKHDADT-JSGCOSHPSA-N 375.472 -0.609 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 1261397159 TWXQYWITJPQXSO-RBUKOAKNSA-N 385.464 -0.093 30 10 GBEE C#CCN(C(=O)[C@H]1CCC(=O)N1C)C1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 1261914001 PFXINTYYJQFTHZ-HZPDHXFCSA-N 388.468 -0.319 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1286432136 YRCWPLJMSOXDCT-CQSZACIVSA-N 398.510 -0.312 30 10 GBEE COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 1327390200 DRZHZPAMBSLNEX-INIZCTEOSA-N 386.474 -0.741 30 10 GBEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(CCOCCOC)CC1 1339530925 QDICWUPQRSZQLM-IAGOWNOFSA-N 394.520 -0.013 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1 1464193826 FWJRPLKHQNIELN-RYUDHWBXSA-N 397.453 -0.053 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CC2)CC1 1507723571 NCSHWMSCUNWGOO-ASHKIFAZSA-N 390.513 -0.105 30 10 GBEE C#CC[C@@H](NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)OC 1556970709 FUPKUXCHGNLIDV-KGLIPLIRSA-N 385.376 -0.402 30 10 GBEE C[C@@H](NS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(C#N)c[nH]1 1574424673 CUTUTQQVTJVPMY-LHMODEAPSA-N 379.442 -0.314 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1595467153 QRPLLJHYRZERCM-KBPBESRZSA-N 394.476 -0.041 30 10 GBEE CC(C)(C)OC(=O)CN1CC[C@H](N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1648415159 CETPULHCOJDIEJ-DCGLDWPTSA-N 383.470 -0.201 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC(N2CCN(CC)CC2)C1)c1cc[nH]n1 1652628417 CDFWMNGKLAGBHS-UHFFFAOYSA-N 392.460 -0.458 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)NC 1689825675 AVMJPVQQKUZCCD-GFCCVEGCSA-N 391.457 -0.068 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705611955 UMGXXFHQASOEAB-LRDDRELGSA-N 381.458 -0.762 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncnn1C 1736472449 MXSBCKGYFVXSAR-KHSSZTOVSA-N 377.445 -0.093 30 10 GBEE C#CC[C@H](C)C(=O)O[C@H]1CON(S(=O)(=O)CCN2C(=O)CCCC2=O)C1 1855598876 JFFZTLQYRHNGCA-QWHCGFSZSA-N 386.426 -0.326 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@H]2CN3CCN2CC3)CO1 1855784677 XHASDNKXZQQLRE-LSDHHAIUSA-N 392.437 -0.594 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3CCO[C@@]3(C#N)C2)[C@H](O)C1 2237867575 DKDSGZIDYVELMA-RUZGCFLTSA-N 381.429 -0.140 30 10 GBEE C#CCOCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244223955 DZPIWTLDIMBJQA-AWEZNQCLSA-N 384.410 -0.065 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)C[C@H](F)C1 2282320047 CGIUPIPXEBYOED-UWVGGRQHSA-N 390.246 -0.792 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(C)CCCO1 2282328238 UXINLSZFUUSGRM-HNNXBMFYSA-N 386.283 -0.038 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN1CC=CC1 2282332336 ZIBJSJHYLTVDPH-UHFFFAOYSA-N 382.295 -0.131 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](C(N)=O)C1 2282336953 IBYYLLLXIKOKBV-JTQLQIEISA-N 384.267 -0.785 30 10 GBEE CNCCOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856409 RSHBLHUJCFRXJW-UHFFFAOYSA-N 388.299 -0.766 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CCF)C(=O)O 2284415947 RVRWKYXWYNMPKW-SECBINFHSA-N 391.230 -0.190 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2358807577 VOCRNFGRGMKGEJ-BNIMDDLWSA-N 381.429 -0.141 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CCCN(C)C3)C2)CC1 459886692 PAIOSLNUVHDJJN-HXUWFJFHSA-N 391.516 -0.623 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)C2CCN(CCC)CC2)CC1 460020484 DBGBNJBPBWSJPO-UHFFFAOYSA-N 393.532 -0.234 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 491211280 CQMZCDFZQAHLTA-UHFFFAOYSA-N 377.417 -0.243 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 524464108 AICZRLSHFGZBOQ-LBPRGKRZSA-N 391.394 -0.221 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnn3)CC2)cc1 600185415 VDDVGCMNGKIYGQ-UHFFFAOYSA-N 387.425 -0.630 30 10 GBEE C#CCN1CCN(C(=O)CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 748818273 WZYYFMXHWSTTFT-GOSISDBHSA-N 389.544 -0.171 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1 1117873438 KCTDQRQZZLPRAP-LSDHHAIUSA-N 399.455 -0.035 30 10 GBEE C#CC[C@@H](NC(=O)C(=O)NC[C@]12COCCN1C(=O)COC2)c1ccccc1 1261950443 DHOAIKCSGXBSKW-OXQOHEQNSA-N 385.420 -0.389 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(=O)N1 1286400126 XCQSMERQLBRRTJ-CHWSQXEVSA-N 378.458 -0.760 30 10 GBEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301588071 UMRJHHDONGYFNP-ZDUSSCGKSA-N 382.490 -0.003 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1 1328020250 VHOZSAOBUWFZRZ-OAHLLOKOSA-N 376.461 -0.503 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1COc2cc(F)ccc2C1)[C@H]1CCS(=O)(=O)C1 1328571289 FIEBOJDIVBVFNJ-GJZGRUSLSA-N 394.424 -0.106 30 10 GBEE CC1(C)CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]2COC[C@H]2O1 1328931590 ODJHQVYTFWYHHH-WYLXUSQVSA-N 392.412 -0.966 30 10 GBEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N2CCOCC2)CC1 1359034657 ZEWHOSQMYLTNED-UHFFFAOYSA-N 398.471 -0.707 30 10 GBEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)c1 1441892063 XHDFOBZPTPJPMJ-KZNAEPCWSA-N 395.419 -0.354 30 10 GBEE CCN1CCN(c2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cn2)CC1 1544118347 NBLMKXIAUMJYHA-UHFFFAOYSA-N 397.439 -0.326 30 10 GBEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1588117840 SPZZDILSRBQFRC-GOSISDBHSA-N 385.449 -0.038 30 10 GBEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595789213 PMTTZVBUGVXCTM-ZDUSSCGKSA-N 380.474 -0.030 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)C(=O)NC(C)C)CC2)c1 1615181336 QSLDZYSBNZOKCH-UHFFFAOYSA-N 399.451 -0.015 30 10 GBEE CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1618467335 FFOBUQWSGDPKRD-RDTXWAMCSA-N 389.460 -0.691 30 10 GBEE N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)cc1 1624669356 KERFKOSFZMTOML-INIZCTEOSA-N 390.465 -0.494 30 10 GBEE Cc1ccc(C(=O)N2CC(NS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1634648278 HZEYBISUJXWULS-UHFFFAOYSA-N 395.290 -0.088 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cn2)CC1 1679695848 NSRHASANDQIWCM-UHFFFAOYSA-N 394.457 -0.600 30 10 GBEE C#CCN(c1nnc(COCC)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1740628649 SCEXCPIFYDCNIG-WMLDXEAASA-N 398.485 -0.407 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)C 1741943392 FMGRFAQMJBMLCU-AGIUHOORSA-N 385.494 -0.433 30 10 GBEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748800001 YJIPZUBJFRCGNT-KRWDZBQOSA-N 392.485 -0.241 30 10 GBEE C[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1751304214 IIWZHGFGBZDQLM-XNJGSVPQSA-N 376.417 -0.237 30 10 GBEE O=C(NCC#CCN1CCOCC1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1852756151 XVFUCCYJHJMFAH-ZWKOTPCHSA-N 375.469 -0.121 30 10 GBEE CC(=O)NCC(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870147811 IHAZFPMQMSLELU-UHFFFAOYSA-N 382.428 -0.035 30 10 GBEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118166941 MGOKHABPSIHKEN-LLVKDONJSA-N 387.462 -0.469 30 10 GBEE C=C[C@@]1(CO)COCCN1C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 2199855494 KMLUEUSJRMMDTD-FZKQIMNGSA-N 383.445 -0.160 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)N(CCN)CCO)c2)OC1(C)C 2255748945 LHBOKFJZJOGDHO-UHFFFAOYSA-N 376.309 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N#Cc1ccc(N2CCN3CCOC[C@H]3C2)nc1N1CCN2CCOC[C@@H]2C1 436348904 OCXLLBJXIZWXLN-MSOLQXFVSA-N 384.484 -0.005 30 10 GBEE N#Cc1cnc(N2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)cn1 585587822 YPTQIMZGHHIWNM-UHFFFAOYSA-N 377.412 -0.087 30 10 GBEE N#CC1(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCC1 593425566 MNUHNYHYOQZKEF-UHFFFAOYSA-N 377.445 -0.217 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)O)C3)CC2)c1 595977512 LPAFKDZHLBQMSK-AUUYWEPGSA-N 399.407 -0.839 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C)(N3CCOCC3)CC2)C1=O 628905185 SIOPFAWDKJYSAB-UHFFFAOYSA-N 378.429 -0.324 30 10 GBEE C#CCN(C(=O)C(=O)NCCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1261167839 YZZHXFMAPBFMNB-GFCCVEGCSA-N 383.401 -0.635 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1261358228 OXNRLAJONBFXJK-QGZVFWFLSA-N 399.447 -0.037 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@@H]1O 1281891342 ADXIRLRQIAPEAN-FQLMCAECSA-N 388.486 -0.520 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1300672280 XKCXWGOIGYJRLB-CQSZACIVSA-N 397.501 -0.209 30 10 GBEE C[C@]1(C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)COC(=O)N1 1303718507 BBCDTXVSHZWTLZ-QGZVFWFLSA-N 375.385 -0.052 30 10 GBEE COC(=O)N[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1308066516 BJLYYXCZFWCZFI-ZDUSSCGKSA-N 376.417 -0.066 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](C(=O)OC)O[C@H](C)C2)n1 1331621043 GYTUEBHNNFECQQ-HIFRSBDPSA-N 376.413 -0.346 30 10 GBEE C=CCn1nnnc1N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1332938334 BFUKUJFXNFVIRY-UHFFFAOYSA-N 377.474 -0.040 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC(CO[C@@H]3CCNC3)CC2)C1=O 1335378298 DQORBSRJSLTCPK-SJORKVTESA-N 392.500 -0.151 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1cc[nH]n1 1472259256 NRFQDNFKNOBDOT-LSDHHAIUSA-N 393.444 -0.249 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1508408992 AFGJZCKWIKTAPV-YNEHKIRRSA-N 386.478 -0.100 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)CC1 1669392901 GMBBORDLVKVBCI-UHFFFAOYSA-N 389.441 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C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCOC[C@H]2CC(C)C)CC1 410557931 PDTHPMNVOGVCKN-MRXNPFEDSA-N 380.489 -0.294 30 10 GBEE C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 460064595 NKAMEJOMBMKYJR-UHFFFAOYSA-N 383.408 -0.771 30 10 GBEE Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N(C)CC(=O)NC3CC3)CC2)c1C#N 530413966 LXHZHCZVMSNDOL-AWEZNQCLSA-N 387.488 -0.152 30 10 GBEE COC(=O)[C@]1(OC)CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 600036422 YDYQJOPRWSTCNA-SFHVURJKSA-N 398.379 -0.132 30 10 GBEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 627290721 ZGQMCCKVFJYYLD-HZPDHXFCSA-N 393.488 -0.747 30 10 GBEE C#CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 731213284 NVVYYPHQJIJJJJ-OAHLLOKOSA-N 393.465 -0.711 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccn(C)n2)cc1 787806206 BPUHNTGZKUKLLK-HNNXBMFYSA-N 390.421 -0.024 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 839595203 MBCVBCYPHJGDPN-HNNXBMFYSA-N 384.436 -0.127 30 10 GBEE 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N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CCN1C1CC1 1349068820 SQJMDUWUDRLHNU-GJZGRUSLSA-N 378.429 -0.777 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](O)C(F)(F)C3)CC2)nc1 1350176848 CPOPZVHMRSHNNZ-CYBMUJFWSA-N 379.367 -0.170 30 10 GBEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1464487229 MDMJIVOLYWVJFV-OLZOCXBDSA-N 391.428 -0.400 30 10 GBEE Cn1c(-c2cnc(C#N)cn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1520083422 MSOSDZORJZBKSQ-UHFFFAOYSA-N 381.444 -0.112 30 10 GBEE COC(=O)[C@@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1636664327 HHZCEBWFIDFAPD-MRXNPFEDSA-N 381.410 -0.371 30 10 GBEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)CCS2(=O)=O 1685597472 GDDQTFMPJYKASM-OYUHZNFDSA-N 399.469 -0.055 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1740552702 OUADUSASNXTFSS-RYUDHWBXSA-N 389.503 -0.813 30 10 GBEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1748052578 MKGVJPCBYPIAKS-IBGZPJMESA-N 381.440 -0.180 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(C)(=O)=O)CC1 1748989165 HADLGIONGKEKJS-CQSZACIVSA-N 382.490 -0.914 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1760194702 OPFPEIARYZJBIT-GUYCJALGSA-N 392.485 -0.561 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)c1ccc(C#N)nc1 2233966209 XUIKAKAPJJUDGN-RDBSUJKOSA-N 398.441 -0.427 30 10 GBEE C=C(CS(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2255953054 CFWMXQCXXTZCPT-NSHDSACASA-N 380.297 -0.133 30 10 GBEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267710622 YMJYEBIZFMXAQP-CCGUKBGLSA-N 391.324 -0.235 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(O)CCC(=O)O 2269037692 LDGIRZMIIIQJKN-UHFFFAOYSA-N 375.212 -0.426 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H](O)[C@@H](O)[C@H]2CO)s1 2281939183 CKWSMKYCQDQWLD-AGIUHOORSA-N 383.275 -0.106 30 10 GBEE Cn1cc(C(=O)N2CCS(=O)(=O)CCO2)nc1B1OC(C)(C)C(C)(C)O1 2282034579 JZCONPHOYMWNEV-UHFFFAOYSA-N 385.251 -0.479 30 10 GBEE 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GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)c1 1660494724 DUDBQEVVPPVWBZ-CQSZACIVSA-N 393.421 -0.412 30 10 GBEE C#CCOCCC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1720684217 PMCVLBVTSHBUSM-BCDMZGRMSA-N 375.469 -0.290 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1722862178 ABXCEWRXFVZCCQ-GHMZBOCLSA-N 381.466 -0.339 30 10 GBEE C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1726750554 AQOUYXSPVQZVCN-QLFBSQMISA-N 389.460 -0.321 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1 1760521751 CBOMKHOQCZASFF-QWHCGFSZSA-N 383.474 -0.293 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(=O)N(C)CC3)C2=O)CC1=O 1853651248 MMUSSPPJJDGGTF-HUUCEWRRSA-N 376.457 -0.297 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H](O)CO)OC1(C)C 2255795369 GKYZUMVTZKOASB-SECBINFHSA-N 378.281 -0.785 30 10 GBEE C=C(CS(=O)(=O)NC[C@H]1CCS(=O)(=O)N1)B1OC(C)(C)C(C)(C)O1 2255800179 CIPNRXDQESVGPQ-LLVKDONJSA-N 380.297 -0.215 30 10 GBEE 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CN1CC2(CCN2S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282853875 KJOHWNQNNCGJSA-UHFFFAOYSA-N 382.295 -0.202 30 10 GBEE CC1(C)OB(c2ccoc2C(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)OC1(C)C 2360575249 IZEBZFBBSSOMRN-JTQLQIEISA-N 387.219 -0.194 30 10 GBEE C#CCNC(=O)CN[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2376729399 RLELBNUFQFLQKL-ZWKOTPCHSA-N 381.429 -0.051 30 10 GBEE CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1 349499250 RSHMRTONDCAWSD-QWHCGFSZSA-N 394.519 -0.664 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN(C3CC3)CC2)CC1 349536444 YBZAJDXDQUPMPT-UHFFFAOYSA-N 376.504 -0.538 30 10 GBEE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F 467158663 MORXWKFXWRLWCR-GFCCVEGCSA-N 386.380 -0.148 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3nnc(CO)c3C2)c1 580590558 IIVPAMCSTFJGOP-UHFFFAOYSA-N 377.426 -0.109 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](OC(C)C)C2)CC1 652396741 SLPHRUFWDHXNPN-MRXNPFEDSA-N 380.489 -0.151 30 10 GBEE COc1ccc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C#N 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10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1325587771 MOTYJJVOZLBSTN-GFCCVEGCSA-N 385.467 -0.655 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]12CCOC2 1327767080 SYRYQGAUEYWYBY-CQSZACIVSA-N 375.472 -0.640 30 10 GBEE CC(C)CN1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1329307053 WVKFKSOQARJUHN-UHFFFAOYSA-N 388.428 -0.996 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1 1330146572 COYQRXGRMZRDHC-CABCVRRESA-N 392.481 -0.242 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 1331697241 WRBOIMHXZVJBJN-HNNXBMFYSA-N 386.408 -0.576 30 10 GBEE CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O 1343359453 UTPMRTXXNFFTAA-KBXIAJHMSA-N 379.457 -0.463 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1347839645 QASDKPCJCGLKGD-MCIONIFRSA-N 376.413 -0.784 30 10 GBEE N#Cc1cn(C2CN(C(=O)c3ccnc(N4CCOCC4)n3)C2)c(=O)nc1O 1351717276 PMEXMJJHDBEXKU-UHFFFAOYSA-N 383.368 -0.856 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1351761539 YIFGYSYGSDKLLB-NWDGAFQWSA-N 378.458 -0.121 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 1455187589 RSMUAPHJWJRCHT-CJNGLKHVSA-N 376.438 -0.036 30 10 GBEE COc1cccc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1472192106 MCJDIIFQOBGVIB-SUMWQHHRSA-N 377.422 -0.178 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)NCC(F)(F)F)C[C@H]1O 1512956676 WDPXKFYRPKOMOJ-QCNOEVLYSA-N 393.362 -0.666 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CS(=O)(=O)NC)C1 1574649803 ZCFQMQWVYLCVAN-LOUJCGABSA-N 385.486 -0.376 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCCS(C)(=O)=O 1595319232 HIFWTXVGXLJGLV-LLVKDONJSA-N 379.508 -0.055 30 10 GBEE C=C(C)C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)OC 1624255844 AUCWGZZPJPOVAI-YPMHNXCESA-N 385.442 -0.224 30 10 GBEE CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1697035459 WFSCCPNZQLNFPQ-STQMWFEESA-N 384.462 -0.550 30 10 GBEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C(=O)C2)C1 1856832825 VWSMRVSFQMTHNI-AWEZNQCLSA-N 389.456 -0.981 30 10 GBEE N#CC1CCN([C@H]2CCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1857310233 UYPBTULWSJSWGX-HNNXBMFYSA-N 380.470 -0.227 30 10 GBEE Cc1nc(C2=C(N)N(CCN3CCOCC3)CC2=O)sc1C(=O)N(C)C 1873527570 GNVSHROYXZHEBY-UHFFFAOYSA-N 379.486 -0.002 30 10 GBEE C=C[C@]1(CO)COCCN1C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2199849645 VJVFFQYJKCJHNZ-BVGQSLNGSA-N 386.445 -0.505 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1csnn1 2267360115 PWPIYEKNOPPVKM-UHFFFAOYSA-N 386.268 -0.556 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC1CNC1 2282418335 NMELZHPGYOYRFR-UHFFFAOYSA-N 384.311 -0.003 30 10 GBEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(CN)CN 2282492337 ONIHZLIHNDGKAX-UHFFFAOYSA-N 385.295 -0.441 30 10 GBEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282641298 YULGZDHFCJMZAL-CHWSQXEVSA-N 384.263 -0.144 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2CCN[C@@H]2C1 2282853721 HYABPGBLEMTVNS-NWDGAFQWSA-N 382.295 -0.298 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H](C(=O)O)C1 2284398044 SXUMSOBGCFCPJT-KYZUINATSA-N 386.239 -0.744 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1S(C)(=O)=O 2368482936 FFKGCMUTIJLTEO-UWVGGRQHSA-N 384.267 -0.580 30 10 GBEE Cc1ccc2c(c1)OC(=O)CN2CC(=O)N[C@H](CCCN=C(N)N)C(=O)O 217435044 CCRSFPLFWBONCM-LLVKDONJSA-N 377.401 -0.657 30 10 GBEE CCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 593934491 OOHDXYAPGWXPJF-CQSZACIVSA-N 384.440 -0.414 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CN2CCCN1CC2 597625019 OCVLFSXXJMEXLX-HOCLYGCPSA-N 391.497 -0.269 30 10 GBEE CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 600765031 XFXWMBABEXBWFJ-LBPRGKRZSA-N 388.471 -0.903 30 10 GBEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 647368562 RIRLZVVVYQMPRR-INIZCTEOSA-N 383.474 -0.004 30 10 GBEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1=O 735072783 HXUQJRIWOIWYJI-WMLDXEAASA-N 391.453 -0.094 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)OCC(=O)NCc3ccc(C#N)cc3)cnc21 746565441 CETQFHRGSUSZMR-UHFFFAOYSA-N 380.364 -0.139 30 10 GBEE C#CCN1C(=O)C[C@@H](N(C)CCOc2ccc(S(N)(=O)=O)cc2F)C1=O 840744469 UHTZZIGTKNDDRD-CYBMUJFWSA-N 383.401 -0.456 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)C1=O 933904418 ODGLSXAVGQSPQP-KXBFYZLASA-N 389.456 -0.213 30 10 GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3C[C@H]4COC[C@@H](C3)O4)C2=O)cc1 1117489450 RKPPHHNJFCUDSG-IXDOHACOSA-N 398.419 -0.598 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 1117726252 YKFGIXBUSDWWSL-YJNKXOJESA-N 387.502 -0.082 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCCO1 1122881906 FGYVQCCVVCFFOP-HUUCEWRRSA-N 378.477 -0.113 30 10 GBEE Cc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cnn1CCC#N 1160656699 MGQSVGHDQUDYQB-CABCVRRESA-N 381.458 -0.979 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(C(=O)CNC(C)=O)CC2)c1 1196797384 AGNJADBHTPSHLD-UHFFFAOYSA-N 399.451 -0.014 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC(=O)N1 1303823147 KNYSXOXAWFQCQE-WCQYABFASA-N 395.489 -0.093 30 10 GBEE Cn1cc(Br)c(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1312724578 QBNMEIQXVKJVIC-UHFFFAOYSA-N 396.205 -0.184 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1316979994 GEXSMOQNEAAVQJ-KNCOVGOOSA-N 380.445 -0.760 30 10 GBEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C[C@@H](O)CC1(C#N)CCOCC1)C2 1328766946 JRZHTQVUFQEAAQ-AWEZNQCLSA-N 392.460 -0.980 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 1330979914 WMFGSSCWSSBGQW-OAHLLOKOSA-N 387.440 -0.367 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1355006899 GVQQWGSWIDGJHX-BFHYXJOUSA-N 381.429 -0.403 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCC(=O)N1CCOCC1 1507637761 NBGZRYCKMLUXFL-UHFFFAOYSA-N 386.456 -0.262 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c1 1557576600 BQZDAMXUDOBCIB-HNNXBMFYSA-N 389.437 -0.269 30 10 GBEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705559335 YLLRGDZXXNMCSP-CYBMUJFWSA-N 397.501 -0.186 30 10 GBEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(O)CCOC2)CC1 1722431501 PRUVGPUNPIGSSV-VQIMIIECSA-N 393.488 -0.091 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1740312075 DDPIAYNJCMRFNJ-ILXRZTDVSA-N 377.445 -0.269 30 10 GBEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749721659 QJZHQWWDPCIDRB-CYBMUJFWSA-N 385.490 -0.047 30 10 GBEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)CN3CCCS3(=O)=O)C1=O)CC2 1856550537 SLNFTPBVNIPUFB-UONOGXRCSA-N 380.470 -0.225 30 10 GBEE C=CCN(C[C@H]1CC(=O)N(C(=O)CN2CCOC2=O)C1)[C@H]1CCN(C)C1=O 1857274692 QTROTMGBGXTKDK-KGLIPLIRSA-N 378.429 -0.468 30 10 GBEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1872949140 QWCPESHRABTMHO-LSDHHAIUSA-N 397.497 -0.437 30 10 GBEE C#CCCNS(=O)(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2086866211 RZEWXKHATACNFU-CYBMUJFWSA-N 375.406 -0.251 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(O)(CO)CO)s2)OC1(C)C 2267713873 SKWZLRIXZPZWPS-UHFFFAOYSA-N 393.292 -0.959 30 10 GBEE Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801481 SIAGUTNZKZQYFE-LLVKDONJSA-N 383.279 -0.055 30 10 GBEE CC(C)[C@H](N)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282310536 VOXZVQRDALEMED-LLVKDONJSA-N 387.315 -0.234 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(CO)CCC1 2282312891 CPBLYBFXDAJHRN-UHFFFAOYSA-N 386.283 -0.445 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1NC[C@H]2C[C@H]21 2282338058 KWOGJFAYKKGYEM-UTUOFQBUSA-N 382.295 -0.395 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](N)C(F)(F)F 2282419299 OFJIWOITPBBEQA-MRVPVSSYSA-N 398.216 -0.113 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@H]3CNC[C@H]3O)c2)OC1(C)C 2282867621 BJFPSWGRNQBXIO-IUODEOHRSA-N 382.291 -0.156 30 10 GBEE 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C=CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1571397990 LONVEVWQZUCPGI-RZLSGREXSA-N 382.461 -0.514 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2n[nH]c(C)n2)CC1 1588732978 JFQUXWGCENFEMX-UHFFFAOYSA-N 385.476 -0.159 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(N)=O)CC1 1595536441 ABLVOWVQFILUQU-CYBMUJFWSA-N 389.460 -0.377 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2ccnn2C)C1 1650877401 OZORFMWVPCBSOI-LBPRGKRZSA-N 389.437 -0.311 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(N)=O)cc2C)CC1 1668566204 JZYJSJBOUYUHJG-UHFFFAOYSA-N 379.442 -0.289 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1 1722702096 DFVQIFJRSXCOBU-CYBMUJFWSA-N 377.449 -0.107 30 10 GBEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760278712 DYYCTLYYXZMXLD-CYBMUJFWSA-N 399.480 -0.213 30 10 GBEE CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S(=O)(=O)CC(=O)NCC#N 2074676424 OGOAAJDDOOCKCN-SNVBAGLBSA-N 377.419 -0.203 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C)CC1 2200941375 VJSHXRRTGDMSPV-HIFRSBDPSA-N 384.477 -0.293 30 10 GBEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2282037292 TZZGEHOTGBUDQY-JTQLQIEISA-N 383.279 -0.118 30 10 GBEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)OC1(C)C 2282184231 PVMWKGHQDOFNOR-SNVBAGLBSA-N 382.251 -0.721 30 10 GBEE CC[C@@H]1COC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282416121 QYHYSZBAVGIWQU-MNOVXSKESA-N 386.283 -0.182 30 10 GBEE COc1ccc(S(=O)(=O)NC[C@@H](O)CN)cc1B1OC(C)(C)C(C)(C)O1 2282492667 PXMAVRQXXSOMDV-NSHDSACASA-N 386.279 -0.408 30 10 GBEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NC[C@H](O)CN)OC1(C)C 2282512534 UDSUHPYEMJAIKA-SNVBAGLBSA-N 392.233 -0.138 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2CCN[C@H]2C1 2282853722 HYABPGBLEMTVNS-RYUDHWBXSA-N 382.295 -0.298 30 10 GBEE CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@H](O)C1 349454983 BZJXDOGLEBYUFJ-CYBMUJFWSA-N 395.503 -0.893 30 10 GBEE COC[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@@H]1CCCO1 578660444 HVLFYFSWCOLQIB-CVEARBPZSA-N 387.440 -0.088 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)C(=O)N2CCCC2)C1=O 625570151 JHPHLDDSGORCTD-CQSZACIVSA-N 378.473 -0.004 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)CO)CC1 658820616 YRPHPKASBKQCNJ-HZPDHXFCSA-N 380.489 -0.558 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCC)n1 807129705 DFBGCTFVYMAWSP-SJORKVTESA-N 392.456 -0.199 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@]3(CCSC3)C2)c1=O 842624097 MYQGYRYHYSXDOC-KRWDZBQOSA-N 380.470 -0.291 30 10 GBEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 848138069 LPAYCNMLDUJQKU-CYBMUJFWSA-N 399.473 -0.076 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1 848958421 NSDZZXCEHMBZMQ-LBPRGKRZSA-N 394.475 -0.982 30 10 GBEE C#CCNC(=O)CN1CCN([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 851751905 YUYUOMOBUGGVTD-OAHLLOKOSA-N 378.473 -0.704 30 10 GBEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C 860422959 YGQSEBJVIOPNKU-KBPBESRZSA-N 393.400 -0.737 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1116970772 XKQUULCATXQAER-CYBMUJFWSA-N 378.406 -0.320 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@]1(C(F)(F)F)CCCN1)[C@H]1CCS(=O)(=O)C1 1262550695 ALOLBVHOBNPXTC-SMDDNHRTSA-N 395.403 -0.564 30 10 GBEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cn1 1320347594 RTRZWKFOPNJELG-ZDUSSCGKSA-N 380.368 -0.687 30 10 GBEE C#CCN(CC#CC)C(=O)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1322185185 QAPYHUTUHBAXGC-FQEVSTJZSA-N 380.404 -0.158 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 1323657255 UAUNRIAMRADJJB-CQSZACIVSA-N 381.454 -0.115 30 10 GBEE C#C[C@H](NC(=O)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1)[C@H]1CCCO1 1328258799 CHBDRYJUMNTMPH-MDOVXXIYSA-N 398.419 -0.346 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCO1 1332645988 SNUJZTAYWUGUGZ-GJZGRUSLSA-N 375.381 -0.550 30 10 GBEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1342062438 USQGQYBIEHNFNJ-ZIAGYGMSSA-N 399.521 -0.870 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)c1 1349486041 RUPDFBPAINTBHO-GOSISDBHSA-N 395.481 -0.330 30 10 GBEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359250462 LIKDEMDCIGNNDC-CXAGYDPISA-N 395.485 -0.066 30 10 GBEE C[C@@H](C(=O)N(C)CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)n1cccn1 1454631561 GXYQHCNRBILTJM-LBPRGKRZSA-N 386.416 -0.027 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1490335618 WUOKVJJRXGLMPY-TUVASFSCSA-N 392.456 -0.318 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1539370354 VXVPEEQPAYGWRV-PBHICJAKSA-N 381.502 -0.294 30 10 GBEE CC(C)[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCN(C)CC1 1676465112 GXYDJPMYRJAPBL-HNNXBMFYSA-N 391.476 -0.608 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1686160613 BNXPHQAWRQSGIM-MYPMTAMASA-N 375.429 -0.823 30 10 GBEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1705890987 TUVVDVORIBFRNZ-AWEZNQCLSA-N 396.517 -0.376 30 10 GBEE Cn1cc(C(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)c(=O)n(C)c1=O 1856140878 CUSDVGDRKRXETI-CQSZACIVSA-N 387.440 -0.302 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H](CCS)C(=O)O)C1CS(=O)(=O)C1 2076842664 YERRLZZBIPMPAK-VHSXEESVSA-N 396.487 -0.186 30 10 GBEE CN1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)C[C@@H]1C#N 2124688368 PIOWZUKBLFBQOV-BLLLJJGKSA-N 386.474 -0.265 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCO1 2249444173 ITTANLAHPPQFMT-UONOGXRCSA-N 397.409 -0.080 30 10 GBEE CC1(C)OB(c2cc(C(=O)NC(C(N)=O)C(N)=O)sc2Cl)OC1(C)C 2267550024 TZMNEDJUSAHEHP-UHFFFAOYSA-N 387.654 -0.230 30 10 GBEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267715628 ABPOTXQMMHHNAG-CCGUKBGLSA-N 391.324 -0.235 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3CCN(S(N)(=O)=O)CC3)o2)OC1(C)C 2282192781 BXIMMYUPHILDDS-UHFFFAOYSA-N 385.251 -0.460 30 10 GBEE CN(C[C@@H]1CCCN1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282300020 ZMVCZTQPIMKCMQ-NSHDSACASA-N 385.299 -0.513 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@](C)(CN)C1 2282421838 TYEBYBVPHVZYFY-HNNXBMFYSA-N 385.299 -0.526 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CCC(N)(C(N)=O)CC2)OC1(C)C 2282625570 XBXJPUDPOZQKAH-UHFFFAOYSA-N 380.279 -0.139 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CS(C)(=O)=O)C1 2282680916 SXIPSQSALGVMIT-UHFFFAOYSA-N 384.267 -0.769 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)C(=O)O)cc2F)OC1(C)C 2284396755 FTZNGOBSRZCRQU-GFCCVEGCSA-N 389.210 -0.151 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC(=O)N1C 282084397 CROVRPQUMMERBI-GFCCVEGCSA-N 381.396 -0.174 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCOC1 349594423 SFIRHCMZLLGTPM-UONOGXRCSA-N 395.503 -0.581 30 10 GBEE CNCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 419854610 VLFHIUJYPNHBFS-UHFFFAOYSA-N 393.469 -0.883 30 10 GBEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1C#N 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C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCC2CCNCC2)n1 846349827 XKYHRHWGUQGVFG-UHFFFAOYSA-N 375.473 -0.003 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 855492442 DEVYMTYJEWFUBE-ZIAGYGMSSA-N 398.481 -0.175 30 10 GBEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 862642572 FZHYDKXILOBIJS-BMINWGARSA-N 392.456 -0.365 30 10 GBEE C=C1[C@@H](C(=O)N(C)CC2(O)CCOCC2)[C@H]1C(=O)N(C)CC1(O)CCOCC1 907594455 BIRGPOCYEPTDPE-IYBDPMFKSA-N 396.484 -0.212 30 10 GBEE CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117316957 GLKLFKZLFVWUDU-JFVSRZABSA-N 377.445 -0.380 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1118284052 BKUJRWXFTOPXTB-NRXISQOPSA-N 394.453 -0.754 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCc2nnnn2CC1 1261540615 OFUVGHJAHIGYBW-CABCVRRESA-N 383.412 -0.442 30 10 GBEE COc1cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1C#N 1333293457 VYRUYIAXNGJDIA-UHFFFAOYSA-N 388.424 -0.044 30 10 GBEE C#CCN1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1334638535 YQMXYOZHKONFNC-NCOADZHNSA-N 375.469 -0.269 30 10 GBEE C=C(C)Cn1c(C[S@](C)=O)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1342080221 QWOVBLAPGWOMJL-HEMWFJGUSA-N 388.515 -0.019 30 10 GBEE C#CC[C@@H](COC)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1454351917 AMLPGACDGPCHTH-LBPRGKRZSA-N 388.467 -0.477 30 10 GBEE CCOc1cccc(CNC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c1 1653037179 RGYNFODUESLEPS-UHFFFAOYSA-N 386.408 -0.103 30 10 GBEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690592596 CHOKJPIPDUJXMC-DYVFJYSZSA-N 395.485 -0.043 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1738417580 QZDHSXXOHYVIGV-SYQHCUMBSA-N 382.461 -0.589 30 10 GBEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1749821750 HEWHBAATCXBKIM-UHFFFAOYSA-N 377.449 -0.031 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCC23CC(C#N)(CO2)C3)[C@H](O)C1 2197486860 FZQIBDPPXQLRHX-GGKIJQQKSA-N 381.429 -0.092 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1cncc(C#N)c1 2233965849 UWOUPZNARKVPKV-IHRRRGAJSA-N 398.441 -0.427 30 10 GBEE C[C@H]1CC[C@H](N)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282291892 NOHQIRGHRPVSRE-QWRGUYRKSA-N 385.299 -0.385 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CC[C@H](N)C1 2282308281 PHJCTEASESHKCH-MNOVXSKESA-N 385.299 -0.480 30 10 GBEE C[C@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCS1(=O)=O 2282693293 LDCUNLPOZJMDES-UWVGGRQHSA-N 384.267 -0.580 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N2C[C@H](O)[C@H](O)[C@H](CO)C2)OC1(C)C 2289486723 ZGGGRZPPTFIPJI-LEWSCRJBSA-N 383.275 -0.167 30 10 GBEE CC(=O)c1ccc(C#CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 96346361 IRSBFSNPKINJEM-UHFFFAOYSA-N 393.403 -0.196 30 10 GBEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N1CC[C@](C)(C#N)C1 595177910 MQHQUENTIUOZSX-HUJGMYITSA-N 377.397 -0.300 30 10 GBEE COC[C@]1(C)CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCO1 599466277 CUTRWWLKTHVGQQ-IBGZPJMESA-N 387.440 -0.134 30 10 GBEE CN(C)S(=O)(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 611080547 NHAOKRCORWIFHJ-UHFFFAOYSA-N 386.499 -0.244 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2([S@@](C)=O)CC2)n1 809895930 ZXTSOYITEJHWHK-AREMUKBSSA-N 380.470 -0.481 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 875608785 YGQDGRWETKTXHX-IRXDYDNUSA-N 392.500 -0.314 30 10 GBEE C#CCCCc1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1CCCOCC 909368012 MQNCIZKTVKWTND-OAHLLOKOSA-N 396.517 -0.001 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 918224985 YJHKHCZSZSKVMO-OAHLLOKOSA-N 398.467 -0.229 30 10 GBEE CCS(=O)(=O)CCN(C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1118319634 NCUAJCTWSCTPRC-OAHLLOKOSA-N 381.454 -0.057 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CS(C)(=O)=O)c1 1179618446 JUZWUTSUXNRGQT-GFCCVEGCSA-N 376.456 -0.714 30 10 GBEE COC[C@]1(CO)CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1261519984 KDSGSIRGXGDFNI-VQIMIIECSA-N 375.425 -0.093 30 10 GBEE C#CCN(c1nnc(CC(C)C)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1286392417 GXLUGNXXNZCPEQ-CYBMUJFWSA-N 392.489 -0.325 30 10 GBEE CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1299310275 AEZDADQTYHEUTG-MLGOLLRUSA-N 395.489 -0.092 30 10 GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCNC(=O)CC3)C2=O)cc1 1323341761 HJZBLIBMRFKYHM-OAHLLOKOSA-N 383.408 -0.876 30 10 GBEE CCCN(C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCN(C)C1 1328283772 BAROBGFCVCAHNJ-UWZWCOGJSA-N 377.445 -0.428 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CCO1 1331375022 NLNPTTUBNBYTKF-ZDUSSCGKSA-N 389.387 -0.676 30 10 GBEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 1348370675 GKYCEKIUNZYTBU-GFCCVEGCSA-N 382.446 -0.477 30 10 GBEE C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1356135257 VCKACSZTUGWSMQ-KXBFYZLASA-N 391.520 -0.366 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1539318576 UEXVNQPMSFSVBX-CYBMUJFWSA-N 378.458 -0.759 30 10 GBEE C#CCn1cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cn1 1556465603 OEHLHLJYEQPYTH-MRXNPFEDSA-N 385.399 -0.126 30 10 GBEE CC(=O)O[C@@H](COS(C)(=O)=O)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC(C)=O 1565537913 GACYQHCHYHMTIS-WJTVCTBASA-N 382.387 -0.298 30 10 GBEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1 1574280934 XLOBVKYFRORNLI-AGIUHOORSA-N 376.417 -0.782 30 10 GBEE N#Cc1cn(CCO)c(=O)n(Cc2ccc(S(=O)(=O)C(F)F)cc2)c1=O 1614707961 FWUXJXQPWKRYRE-UHFFFAOYSA-N 385.348 -0.081 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)NCc3nnc4c(=O)[nH]ccn34)CC2)c1 1684193712 CQKXHNIUOHLHQF-UHFFFAOYSA-N 379.384 -0.284 30 10 GBEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722432083 RYPXDFKQKFEILR-KRWDZBQOSA-N 381.502 -0.294 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCC(=O)N1 1723917638 XCBBRQXMUJHLBV-SDDRHHMPSA-N 383.478 -0.095 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1748960855 PLPTWKJIVVQXEV-ZDUSSCGKSA-N 395.485 -0.108 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760506485 BGEBTFSHONXJBD-MNOVXSKESA-N 379.508 -0.056 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@@H]2CN3CCN2CC3)CO1 1855784675 XHASDNKXZQQLRE-GJZGRUSLSA-N 392.437 -0.594 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](O)[C@H](O)C2)OC1(C)C 2255795090 DYVYFHYADHUEGJ-PHIMTYICSA-N 375.277 -0.227 30 10 GBEE CC(C)(C)OC(=O)NCC(CO)(CO)NS(=O)(=O)c1ccc(C#N)nc1 2265812030 ZUDNCIMZGMRYIZ-UHFFFAOYSA-N 386.430 -0.520 30 10 GBEE C[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267709543 DIKGNKMLCAFGJC-CCGUKBGLSA-N 391.324 -0.235 30 10 GBEE C[C@@H](ONS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269037260 IFYQVQZERGYWOZ-MRVPVSSYSA-N 375.212 -0.598 30 10 GBEE Cc1c(C(=O)NC[C@H](C)S(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281978260 ANBYZLZSYRHNIE-VIFPVBQESA-N 386.283 -0.565 30 10 GBEE CN(C(C)(C)C(N)=O)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282497567 RKJLQAKTJDQLMI-UHFFFAOYSA-N 386.283 -0.396 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NS(C)(=O)=O)C2)n1 2282541907 AQXAYWMZPJSXLF-UHFFFAOYSA-N 384.267 -0.907 30 10 GBEE Cn1nc(C(=O)N2CCCS(=O)(=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282602744 XJDIYBJWOSUENA-UHFFFAOYSA-N 383.279 -0.020 30 10 GBEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(O)(CN)C1 2282834663 XAVXCNCSOUHPLH-UHFFFAOYSA-N 382.291 -0.012 30 10 GBEE CN(C)C(C)(C)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282835039 ZSBNUGGRDFGDFJ-UHFFFAOYSA-N 387.315 -0.267 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1COCCO1 2282854878 XASISBVSHATTAZ-NSHDSACASA-N 387.267 -0.587 30 10 GBEE CC1(C)OB(c2ccc(CS(=O)(=O)NC[C@H](O)C(=O)O)cc2)OC1(C)C 2284411742 NYGGMQMXZAMUMC-ZDUSSCGKSA-N 385.247 -0.149 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)NCc2noc(C(N)=O)n2)OC1(C)C 2285844135 IXVFFRPSSKWURZ-UHFFFAOYSA-N 379.207 -0.146 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1C1CC1 363239797 BSNPRJJCHRDWOV-ZDUSSCGKSA-N 377.426 -0.529 30 10 GBEE C=CCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 378585224 CEVVYTVADOTAFK-KBPBESRZSA-N 393.444 -0.224 30 10 GBEE C=CCNC(=O)CN1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 432905761 UJUJTZGUYFIMIO-UHFFFAOYSA-N 379.383 -0.316 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 459881663 FGEYIJSUFHWHEW-HNNXBMFYSA-N 388.472 -0.438 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)CC1 513714400 BYOYLURGQYCSGE-UHFFFAOYSA-N 395.485 -0.537 30 10 GBEE N#Cc1cn(C2CN(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)C2)c(=O)nc1O 530264707 ASDVOKAPKJARCU-BETUJISGSA-N 385.380 -0.621 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 579240014 XBJFOMNASWJKGV-SFHVURJKSA-N 399.495 -0.483 30 10 GBEE N#Cc1ncn(CCNC(=O)NC[C@]2(CO)COCCN2Cc2ccccc2)n1 596598302 KPLZVWNZZAIHIY-IBGZPJMESA-N 399.455 -0.288 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)n1 804051971 ADLNAEGGOWXGMV-IRXDYDNUSA-N 398.467 -0.419 30 10 GBEE C#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 838267817 NUYSXEZSRSYJAA-CQSZACIVSA-N 377.422 -0.719 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2nccnn2)CC1 862434148 TZMLJIXJLVYAFL-UHFFFAOYSA-N 387.425 -0.741 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 863619389 ZNBNOXIMDVHWQI-RRFJBIMHSA-N 389.499 -0.660 30 10 GBEE C#CCN1C(=O)C[C@H](N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)C1=O 887300914 HPHNTAZGLYHTTP-INIZCTEOSA-N 390.465 -0.523 30 10 GBEE CN(C)CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1137189109 GBFLCRYFXFVPBP-CMTMBAJVSA-N 398.485 -0.520 30 10 GBEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CS(C)(=O)=O)CC1 1299463918 GHSSFBFZZKXHOW-OCABDXPQSA-N 394.493 -0.093 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)[C@H]1CCS(=O)(=O)C1 1325883517 GKLXVKHGAFIQJU-KBPBESRZSA-N 379.442 -0.910 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)[C@H]1CCS(=O)(=O)C1 1326044450 LGLDZGHUWIEORM-LBPRGKRZSA-N 391.405 -0.281 30 10 GBEE CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2Cc3ccc(C#N)cc3C2)C1 1327751549 JPQLMGRDDDBRRF-CYBMUJFWSA-N 376.438 -0.202 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2(C)C[C@H]3C[C@@H]3C2)CC1 1344792425 JAWDJFLPCQALJX-ZIAGYGMSSA-N 379.490 -0.301 30 10 GBEE CC[C@]1(CO)CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1346275104 AFOFHQPHTWSROK-OUFNUQFJSA-N 378.429 -0.360 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1348680930 LQXSIGWMWDKDIY-INIZCTEOSA-N 384.436 -0.688 30 10 GBEE Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1471032454 DQIVZSFIIWNCNR-SFHVURJKSA-N 386.412 -0.022 30 10 GBEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1521128333 BDKWEGKBHOCFBC-MLGOLLRUSA-N 392.441 -0.448 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 1611685599 JBTOBTIHGCYCNF-IRXDYDNUSA-N 392.481 -0.106 30 10 GBEE C=C(Cl)C[C@@H](NS(=O)(=O)CC1CN(S(C)(=O)=O)C1)C(=O)OCC 1622449896 DVGMPFFWRFVFON-LLVKDONJSA-N 388.895 -0.129 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCC(N(C)CCCO)CC1)c1cc[nH]n1 1624290439 CVQHMNDXCNQPMJ-UHFFFAOYSA-N 395.460 -0.001 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2nccc(OCCC)n2)CC1 1632960910 QSKUJMHZSDQCJO-UHFFFAOYSA-N 381.458 -0.580 30 10 GBEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)cc1 1644584438 NDJYWOWYHHZCFZ-ZDUSSCGKSA-N 392.437 -0.798 30 10 GBEE C#CCN1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1678401390 LDIKFZTUNZKHLJ-UFYUIRFASA-N 387.480 -0.413 30 10 GBEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705641590 LRRDCULFBAUNED-SFHVURJKSA-N 393.513 -0.465 30 10 GBEE COCCS(=O)(=O)CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2282056813 XPHBLZXOXCMOMY-UHFFFAOYSA-N 387.267 -0.500 30 10 GBEE Cn1nnc(=NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)[nH]1 2282325010 YEEBJLRZCFPLJW-UHFFFAOYSA-N 383.214 -0.129 30 10 GBEE CN1CCC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282327605 KSDMPDLYJHKVBD-NSHDSACASA-N 385.299 -0.513 30 10 GBEE CC(C)NC(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282332151 WYNAGFIWFQLFPA-UHFFFAOYSA-N 386.283 -0.478 30 10 GBEE COCC[C@H](N)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334898 HYAIUZKRMYTQCN-NSHDSACASA-N 388.299 -0.639 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](CO)[C@@H](F)C1 2282351371 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C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 578787332 LNPRENMHDFGYFU-LERXQTSPSA-N 389.455 -0.743 30 10 GBEE CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC(=O)N(C)CC1 595961138 PRDLNYCBIVCEKA-UHFFFAOYSA-N 380.492 -0.954 30 10 GBEE CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC(=O)N1 595962672 RTEPHAVDDJBQHM-NSHDSACASA-N 386.455 -0.612 30 10 GBEE CNCCOCCN(C)C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 600796762 JKWJBQFAJMUZJP-UHFFFAOYSA-N 387.484 -0.103 30 10 GBEE CCN1CCN(C(=O)[C@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 783805654 HITMOQUPUVFTHB-WPCFGXOUSA-N 378.429 -0.001 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 839597560 KHCNYWSZKQFBHQ-OWCLPIDISA-N 397.431 -0.118 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](OCC)[C@H](CN)C2)n1 846352813 ASWAXXXVXLQKFX-NVXWUHKLSA-N 391.472 -0.687 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 848368515 YEJMSNUDQCHHJS-CYBMUJFWSA-N 378.410 -0.064 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 1120444901 GFTQBUIOLBHJAH-QGZVFWFLSA-N 377.485 -0.066 30 10 GBEE N#C[C@@]12CN(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C[C@H]1CS(=O)(=O)C2 1289202086 WPQYGXKLSMPQCQ-MRHIQRDNSA-N 379.438 -0.442 30 10 GBEE CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C#N 1315071949 BBGVBQUSAKAMJS-GFCCVEGCSA-N 383.478 -0.454 30 10 GBEE CCOCCOC1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1325930377 FWGRKSLMCVUWTE-UHFFFAOYSA-N 387.440 -0.134 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)CC1 1326823231 LRVWLPRRGDJASA-OAGGEKHMSA-N 392.500 -0.412 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCN1C(=O)c1cscn1 1332372045 KQFDZUUHGKBDMV-SJCJKPOMSA-N 391.453 -0.307 30 10 GBEE C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)NC(C)(C)C1=O 1347456976 XZNJLQSTDBCDDR-UPJWGTAASA-N 378.429 -0.233 30 10 GBEE Cn1cc(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)cn1 1472225225 QPVUVPKGCFUQTD-UHFFFAOYSA-N 380.455 -0.201 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1507669792 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HPJIMRQUZRHEGM-SNVBAGLBSA-N 384.267 -0.398 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1[C@@H]2COC[C@@H]21 2282308150 NHQTXSYOBUMPIL-JGPRNRPPSA-N 384.267 -0.715 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]12CNC[C@@H]1C2 2282351551 CAIWNOREMWRFFX-MEDUHNTESA-N 382.295 -0.393 30 10 GBEE CO[C@H]1CC(=O)N(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282415432 HONVEWJHLMTZNQ-JTQLQIEISA-N 385.251 -0.345 30 10 GBEE Cc1nc(C(=O)N2C[C@H](O)[C@H](O)[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282520544 SPKBFMWLPMBMLU-JFGNBEQYSA-N 384.263 -0.711 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2NC[C@H](O)[C@H]2O)s1 2282647238 ZEJHBGYQXAOFDS-AVGNSLFASA-N 382.291 -0.221 30 10 GBEE CN(C[C@H]1CCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282858075 RLQSKUNSKCMSSK-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE C[C@@H]1C[C@H](CO)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282864995 NUBQNTLPUOEMNH-MNOVXSKESA-N 386.283 -0.494 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@H](CS(C)(=O)=O)C(=O)O)o2)OC1(C)C 2360576913 SCRWWPCISKPVPA-SECBINFHSA-N 387.219 -0.194 30 10 GBEE N#CCN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 465139967 MAIZEHULVBSNRG-UHFFFAOYSA-N 381.414 -0.069 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2)CC1 475707876 DLKDIJRICJEQLM-UHFFFAOYSA-N 376.461 -0.076 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(C3CC3)C2)CC1 559901786 FGJXHNFYJSSEOZ-OAHLLOKOSA-N 377.489 -0.967 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NCC2(N)CCOCC2)CCN1Cc1ccccc1 599963489 JPMJVJRHLMCLFB-KRWDZBQOSA-N 385.468 -0.153 30 10 GBEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 643682391 PGHBOEOZTBSNIP-CQSZACIVSA-N 387.448 -0.307 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(cc2OC)OCO3)CC1 831568913 ULWFVMDAQHOXDH-UHFFFAOYSA-N 381.410 -0.351 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1261994678 QIMKJGPHTHTXSS-DZKIICNBSA-N 376.434 -0.032 30 10 GBEE CN(C)CC#CCNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1313439845 VPEHUJGVSHUDMZ-UHFFFAOYSA-N 381.502 -0.023 30 10 GBEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1325658969 MRUMPBRJYVLHMZ-CYBMUJFWSA-N 385.467 -0.406 30 10 GBEE C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1338748648 AQYOZPSANLNXCZ-KGLIPLIRSA-N 381.506 -0.041 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1343945006 QLCKJVVGARPCBC-TUVASFSCSA-N 385.486 -0.472 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)CC1 1470037304 KILSKSAPGXABMA-HNNXBMFYSA-N 385.490 -0.960 30 10 GBEE COC(=O)[C@@H]1CSCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1535048072 AWLVBVSXTFJDNH-NSHDSACASA-N 383.451 -0.158 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CC1 1748960854 PLPTWKJIVVQXEV-CYBMUJFWSA-N 395.485 -0.108 30 10 GBEE CN(C[C@H]1CC(=O)N(C(=O)Cn2cccn2)C1)C1CN(c2nccnc2C#N)C1 1856278979 ZHUZQNXJYOULIS-CQSZACIVSA-N 394.439 -0.260 30 10 GBEE Cc1c(C(=O)NC2(C)CS(=O)(=O)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281803972 FGAPXUOCNHWMPI-UHFFFAOYSA-N 383.279 -0.055 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(C)CCNC1 2282303963 DDACASZVQWETDJ-OAHLLOKOSA-N 385.299 -0.608 30 10 GBEE C[C@H](CCCO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282318817 LBGWLECCBNGRAM-LLVKDONJSA-N 388.299 -0.199 30 10 GBEE C[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282321438 XDFMQBMJMRCIPV-QWRGUYRKSA-N 386.283 -0.352 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3nc(=O)o[nH]3)c2)OC1(C)C 2282344869 DWDSWJJVBFYAAV-UHFFFAOYSA-N 382.207 -0.464 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@@]3(CN)C2)n1 2288260034 HKVXOSZJZLOHQI-MEDUHNTESA-N 382.295 -0.311 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2358807576 VOCRNFGRGMKGEJ-AYLHNXDXSA-N 381.429 -0.141 30 10 GBEE COc1nc(OC2(CN)CS(=O)(=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365382664 MMDPHEWTEKWYFK-UHFFFAOYSA-N 384.263 -0.106 30 10 GBEE C#CC1(N(C)C)CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 2370133432 SWZUDIBUMLBVKO-KKUMJFAQSA-N 381.473 -0.117 30 10 GBEE CN1CCO[C@@H]2CCN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21 328998128 WVNSTJLJBPGNRN-HZPDHXFCSA-N 392.460 -0.308 30 10 GBEE CN1C(=O)C[C@@H](/N=C(/O)N2CC[C@@H](CS(C)(=O)=O)C2)[C@@H]1c1ccnn1C 330169489 BMBJXNMJEZQOGH-LALPHHSUSA-N 383.474 -0.028 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2nncc2C1 349469434 KSQVPCAKHBDWSH-NSHDSACASA-N 396.454 -0.327 30 10 GBEE CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 364130237 SBZWXJMFWDXJNB-MRXNPFEDSA-N 397.439 -0.007 30 10 GBEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN(C4CC4)C(=O)C3)C2)nc1 410604616 UDALWACCXCSWLP-OAHLLOKOSA-N 383.408 -0.234 30 10 GBEE CC[C@H](C)[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NCCN1CCOCC1 467270235 XYHROINBSBJFEC-LZWOXQAQSA-N 391.476 -0.310 30 10 GBEE N#CCC1(O)CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 476827192 VZQMBKOWIYJPCF-HZSPNIEDSA-N 383.470 -0.417 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)n1 537317274 GNTGDUSKQQDTAG-UHFFFAOYSA-N 375.414 -0.854 30 10 GBEE 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Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156670101 PGWWGTZPXCPEDJ-JQFCIGGWSA-N 379.438 -0.696 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1 1301491773 YJJIHNSDUCRPMY-UHFFFAOYSA-N 376.442 -0.123 30 10 GBEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1326088150 QWYJETUHDDXABH-QGZVFWFLSA-N 393.421 -0.079 30 10 GBEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1332038790 WILDVPLYXSFCGQ-HUUCEWRRSA-N 376.461 -0.601 30 10 GBEE CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 1335851656 NEGLEAAFLGDKSB-CYBMUJFWSA-N 394.457 -0.935 30 10 GBEE N#Cc1cscc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1343929572 VOBBDOMVVOTGFH-ZDUSSCGKSA-N 396.494 -0.319 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2cncs2)C(=O)OC)C1=O 1462603768 YMJZXDJZLYDXOO-SNVBAGLBSA-N 380.382 -0.680 30 10 GBEE Cc1ccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1S(=O)(=O)NCC#N 1624645636 WKMLTIHCSNSGEH-UHFFFAOYSA-N 397.478 -0.087 30 10 GBEE CNC(=O)c1cc(O[C@H]2CCCN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)ccn1 1655614291 BELGDOJXIPXQIH-LBPRGKRZSA-N 384.396 -0.252 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@@]1(O)CCS(=O)(=O)C1 1689947556 HWBXXRMWOWPOIZ-CJNGLKHVSA-N 386.474 -0.379 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCS(C)(=O)=O 1722343516 CIAKSPUSEZHJMV-NSHDSACASA-N 377.492 -0.608 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1O 1739469702 ZTTJNHIUBXQPIR-TUVASFSCSA-N 379.413 -0.221 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1740960197 MZZCTOWKVDMSDD-CYBMUJFWSA-N 398.489 -0.487 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@]1(C(=O)OC)CCSC1)c1cc[nH]n1 1772956094 WGRJGXMTUYCTDU-OAHLLOKOSA-N 384.414 -0.142 30 10 GBEE N#CCNC(=O)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1990652730 DKGYADCVKROVER-GFCCVEGCSA-N 383.382 -0.579 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCN(CCC#N)CC2)[C@@H](O)C1 2197487260 HGFIYRQBLUUZSD-KBXCAEBGSA-N 382.461 -0.223 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)C(=O)O)s2)OC1(C)C 2256899198 BPWHVJNUNKOTRU-QMMMGPOBSA-N 377.249 -0.229 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)cs2)OC1(C)C 2267280395 NVRUQKUULHHZKL-MNOVXSKESA-N 387.288 -0.065 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NN2CCNCC2)OC1(C)C 2267463489 AUYKMAURXDUWIH-UHFFFAOYSA-N 388.324 -0.318 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NC2(C(N)=O)CNC2)OC1(C)C 2267464868 KHSWWKMNHSWPAE-UHFFFAOYSA-N 387.292 -0.847 30 10 GBEE C#CC[C@@H](COC)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282304320 JDCBMFKXLSBLSC-NSHDSACASA-N 384.267 -0.569 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC(C)(C)[C@H]1O 2282312221 SILLWNMXUWOKOF-UWVGGRQHSA-N 386.283 -0.448 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1ccon1 2282835988 CYVCQXLQSUGIIY-UHFFFAOYSA-N 383.239 -0.377 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCN1CC=CC1 2282841218 SXAKQSYDAQZDOL-UHFFFAOYSA-N 383.283 -0.736 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H]3CNC[C@@H]3O)c2)OC1(C)C 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30 10 GBEE N#C[C@]12CN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C[C@H]1CS(=O)(=O)C2 1439797993 RNELMHRTYYMYQD-WZTLGTBRSA-N 393.465 -0.052 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)CNS(C)(=O)=O)c1 1471976104 DHGNYKKDIBAXMG-UHFFFAOYSA-N 387.483 -0.344 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H]1C(N)=O 1490872030 RENVZQIVQRZXIM-RGDJUOJXSA-N 391.472 -0.380 30 10 GBEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN4CCOC[C@@]4(CO)C3)CC2=O)cc1 1529084828 WIPMRIOJZPRURZ-UZLBHIALSA-N 384.436 -0.183 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)CC1 1540862777 JDBRIVWFJZUTAS-AWEZNQCLSA-N 394.476 -0.027 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 1562177478 XRWKRHIWTNUTDS-UHFFFAOYSA-N 389.441 -0.116 30 10 GBEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1587807811 JDCLJAJFKKBHJH-QWHCGFSZSA-N 382.490 -0.031 30 10 GBEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595405094 BYTRZXUOEFGYAC-AWEZNQCLSA-N 396.517 -0.424 30 10 GBEE 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C[C@H](CS(N)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2255640393 SQFDZBVYPFPBDT-MRVPVSSYSA-N 375.281 -0.151 30 10 GBEE CC1(C)OB(c2sccc2C(=O)NCCNS(N)(=O)=O)OC1(C)C 2255644007 FGRINOMFIHHCDZ-UHFFFAOYSA-N 375.281 -0.430 30 10 GBEE COC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2267418695 KTYPOVWULVKDHO-JTQLQIEISA-N 390.292 -0.174 30 10 GBEE Cn1[nH]c(CCN)nc1=NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281795167 NVJAWHOLCPJXSJ-UHFFFAOYSA-N 378.267 -0.254 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CO 2282340190 CHUDEOUMNUMSKK-GVXVVHGQSA-N 383.279 -0.279 30 10 GBEE COc1n[nH]c(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)n1 2282350871 SVOJIEZXPRHWFX-UHFFFAOYSA-N 384.227 -0.353 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC3(CCNC3)C2)n1 2282510899 GFVNGWLVGJXXLJ-UHFFFAOYSA-N 382.295 -0.297 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NC3(C(N)=O)CNC3)c2)OC1(C)C 2282848597 PGBWNWYAWNJENP-UHFFFAOYSA-N 381.263 -0.909 30 10 GBEE 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C#CCN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H]1CCS(=O)(=O)C1 760837953 TZKRREMZYIQOCH-ZDUSSCGKSA-N 392.416 -0.138 30 10 GBEE C#CCN(C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1)[C@@H]1CCS(=O)(=O)C1 775220596 DCHFULGNYHLNQY-CQSZACIVSA-N 399.494 -0.026 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(NC(C)=O)s1 804959549 FICQZMXETBZDRT-SNVBAGLBSA-N 377.469 -0.088 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1=O 856608341 MEVNHHATWMERQS-UONOGXRCSA-N 399.407 -0.660 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)CC1 885348999 JIDMONUPYQQGQC-AWEZNQCLSA-N 393.531 -0.251 30 10 GBEE COC(=O)CC1(NS(=O)(=O)N(C)C[C@H](C)C#N)CCS(=O)(=O)CC1 1256599129 MDWNMBMQOJOQHS-LLVKDONJSA-N 381.476 -0.577 30 10 GBEE Cc1ncc(CN(C)C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1261805702 QPSBQBWFSIIHJC-UHFFFAOYSA-N 388.409 -0.373 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)C(F)(F)F)cc1 1300654890 AEHMUYOIIAKPPX-UHFFFAOYSA-N 399.372 -0.113 30 10 GBEE Cn1c(=O)[nH]c(N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(C#N)c1=O 1307232469 DYJBWNIYGHNHQE-ISVAXAHUSA-N 392.359 -0.109 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1323475585 LABLKFIASBFWDY-IUODEOHRSA-N 394.497 -0.267 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2COC(C)(C)O2)n1 1323980137 YPMMZGYMWAFYKL-OAHLLOKOSA-N 378.429 -0.241 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1328517697 HCMZLZKPKNQDET-HWWQOWPSSA-N 392.424 -0.094 30 10 GBEE COCC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C1 1330158828 CAFAUOLUSUUOOK-PNYFIKQUSA-N 378.469 -0.009 30 10 GBEE C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1334926940 QVROOAIGKDZOMO-INIZCTEOSA-N 392.481 -0.396 30 10 GBEE C#CCN(c1nnc([C@H]2COCCN2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1342811274 VPTRXUOBTAEUCL-LSDHHAIUSA-N 397.501 -0.446 30 10 GBEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)N(C)C 1358940192 QOZHIBBHCMRFPH-MRXNPFEDSA-N 385.490 -0.109 30 10 GBEE C#CCN1CCN(c2nnc(COCC)n2CCCn2cc(CO)nn2)CC1 1359039257 BACQCIILKHVHCH-UHFFFAOYSA-N 388.476 -0.256 30 10 GBEE C=CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1571397989 LONVEVWQZUCPGI-ORIJERBGSA-N 382.461 -0.514 30 10 GBEE CCOC(=O)[C@@]1(C)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1587700375 OXWIPIIFHQFKEV-QGZVFWFLSA-N 395.437 -0.094 30 10 GBEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cnn(CCC#N)c1C 1639515245 JEAVPCWKTRZUOW-CQSZACIVSA-N 377.401 -0.375 30 10 GBEE N#Cc1cn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)nn1 1652015853 HOEDGKVFVPECQE-UHFFFAOYSA-N 390.425 -0.513 30 10 GBEE NC(=O)[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1C(N)=O 1659417507 OSNRBZVAZJXDCP-ZIAGYGMSSA-N 396.369 -0.308 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)[C@@H]1CC 1690669771 OLILTPYYJSKWQP-NEPJUHHUSA-N 375.433 -0.754 30 10 GBEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C(=O)CNC(=O)NC)CC1 1722169650 XRKWGYOMIHXZOX-OAGGEKHMSA-N 376.457 -0.064 30 10 GBEE C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1740625736 HWOGLOMPECHDTC-KBPBESRZSA-N 398.510 -0.007 30 10 GBEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 1748032010 JCZCLWARBLYBCW-DZTUFKMZSA-N 386.452 -0.456 30 10 GBEE Cn1c(=O)ccn([C@H]2CCCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)C2)c1=O 1855620032 BRDFWAYBNRLEJA-CABCVRRESA-N 387.440 -0.137 30 10 GBEE CN([C@@H]1CS(=O)(=O)C[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1C#N 1858196633 BLWRUBAGWORONG-DGCLKSJQSA-N 392.480 -0.611 30 10 GBEE Cn1nc(C(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282032596 IBPHVTZAJWKXKM-OPRDCNLKSA-N 385.657 -0.013 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@@]2(O)CCNC2)OC1(C)C 2282354197 NMDKFGGHQYIUBC-QGZVFWFLSA-N 382.291 -0.012 30 10 GBEE C[C@H]1CNC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282854890 XCWQOJGMLJKNHR-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE C[C@H]1CCOCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868279 LERDZNCCKVFLLF-NSHDSACASA-N 386.283 -0.086 30 10 GBEE Cn1nc(C(=O)NC[C@H](CO)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284367573 NFYBJGQCSCSSTI-MRVPVSSYSA-N 387.629 -0.204 30 10 GBEE C[C@@H](O)CN(CCN)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2285301939 SYAZTVQBAYKDPA-LLVKDONJSA-N 388.299 -0.951 30 10 GBEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2317409396 YNYXQWCASUQWMX-XHBSWPGZSA-N 376.475 -0.205 30 10 GBEE CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1 349492575 LMTUAJMXTCWUCU-DOMZBBRYSA-N 391.515 -0.225 30 10 GBEE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 422386394 IIJOSDQXJZZFNT-ZBFHGGJFSA-N 397.435 -0.236 30 10 GBEE Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)nn1CCC#N 506717843 KCDKWVBEBTUAAJ-CYBMUJFWSA-N 396.473 -0.074 30 10 GBEE CNC(=O)NC[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 529735145 AJDLHDBPTXLTAH-OAHLLOKOSA-N 394.453 -0.371 30 10 GBEE N#CCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1 601449100 SMIPZVLWAWTJFG-QGZVFWFLSA-N 377.489 -0.242 30 10 GBEE Cc1ccc(S(=O)(=O)NCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 810382023 FDMMJAIYMNEDSN-WUKNDPDISA-N 392.437 -0.084 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCN(CC)C(=O)C2)n1 839370721 QCBMBFZFXSEBDS-UHFFFAOYSA-N 375.429 -0.818 30 10 GBEE CN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C[C@H](O)c1cccc(C#N)c1 844369848 ZZHWNIVKKODKBP-SFHVURJKSA-N 387.484 -0.244 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cnn(C)n2)cc1 848928997 BTGIVQXUPZDUAW-NSHDSACASA-N 398.470 -0.174 30 10 GBEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)[C@H]1CCS(=O)(=O)C1 1116596359 KJLSULQLTFPENN-AWEZNQCLSA-N 384.479 -0.214 30 10 GBEE C=CCN1C(=O)c2ccc(C(=O)N3CCN4CCOC[C@@]4(CO)C3)cc2C1=O 1124052243 ARHMYTDSNBZTTO-FQEVSTJZSA-N 385.420 -0.012 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1 1152967904 VDBAWWJZTUBUGI-UHFFFAOYSA-N 382.442 -0.356 30 10 GBEE C=CCOCC(=O)N1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1288588864 GMIVLLKFSJZJOT-NBOOPKSLSA-N 382.457 -0.026 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ncc(C)c(OC)c1C)[C@@H]1CCS(=O)(=O)C1 1327968821 QVMFMTMVFVBBIO-CQSZACIVSA-N 393.465 -0.028 30 10 GBEE C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 1331705651 GSJGIDPLADBBIO-UHFFFAOYSA-N 393.488 -0.915 30 10 GBEE C#CCN(c1nnc(C2(O)CC2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1344341384 PPRUYFOFORVMAY-ZIAGYGMSSA-N 380.470 -0.077 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1344702570 MVQCKPKFDSSURM-OAHLLOKOSA-N 392.456 -0.917 30 10 GBEE C#CCCCC(=O)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@H]2CS(=O)(=O)C[C@H]21 1346784663 USXGEVDXCVDCOG-KRXQYRFLSA-N 380.466 -0.337 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CCOCC3)CC[C@H]2CO)C1=O 1456052516 BUXOIYPWJORMHL-ZDUSSCGKSA-N 379.413 -0.257 30 10 GBEE CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1517581611 CCJLHUMNYWDZOU-QMTHXVAHSA-N 387.441 -0.534 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1588891291 NJFHFOWGWUUKJS-QGZVFWFLSA-N 395.485 -0.898 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595467156 QRPLLJHYRZERCM-ZIAGYGMSSA-N 394.476 -0.041 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1674468688 DCUFNLSCFPQXGR-UHFFFAOYSA-N 380.426 -0.041 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)NC 1736486034 FLPKMRAQRJXFOG-QPSCCSFWSA-N 379.461 -0.366 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1759146396 BLZSFGIZSFJARY-WCVJEAGWSA-N 378.473 -0.699 30 10 GBEE CN(C(=O)C1CN(S(=O)(=O)C2CC2)C1)C1CN(c2nccnc2C#N)C1 1848848240 GEYKKIWLVGBKIF-UHFFFAOYSA-N 376.442 -0.581 30 10 GBEE C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518240 VXKFRRPVJCXMSJ-UHFFFAOYSA-N 375.389 -0.244 30 10 GBEE CS(=O)(=O)N1CC(C(=O)N2CCC(COc3nccnc3C#N)CC2)C1 1891770824 WYRMANBMRQPALL-UHFFFAOYSA-N 379.442 -0.143 30 10 GBEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(N)(=O)=O 2124705790 MGIVGMWASVQSLO-SNVBAGLBSA-N 385.446 -0.265 30 10 GBEE C=CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CNC1 2244228156 AHESJOIVRHWHEC-CYBMUJFWSA-N 383.426 -0.187 30 10 GBEE C=CCNC(=O)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249451788 WWJOIYOCDKJWBX-CYBMUJFWSA-N 399.425 -0.412 30 10 GBEE Cc1cc(S(=O)(=O)NC[C@@H](O)C(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2267703785 BLOJTEFLBKGCKN-SECBINFHSA-N 390.292 -0.520 30 10 GBEE COC[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)OC 2282343720 HIVBQCGKMKZXBM-LLVKDONJSA-N 389.283 -0.341 30 10 GBEE C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282507685 LFLGVAJQABLDBJ-DGCLKSJQSA-N 384.311 -0.052 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](C(N)=O)C[C@@H](N)C3)ns2)OC1(C)C 2282599918 VBVGYKQONACTIE-VHSXEESVSA-N 380.279 -0.283 30 10 GBEE CNS(=O)(=O)CCN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2282666525 XWZWTGKEZFXQTA-UHFFFAOYSA-N 384.267 -0.603 30 10 GBEE C#CCOCCN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282836442 KHDFRHRYEVUGBM-UHFFFAOYSA-N 383.279 -0.010 30 10 GBEE C[C@H](CC1CNC1)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837608 FSBOPCQGLCJGLM-LLVKDONJSA-N 384.311 -0.004 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@]1(C)CN 2282839704 HWDCIBVFRJNVLE-HNNXBMFYSA-N 385.299 -0.384 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC[C@@H]1C#N 2282854814 WIPUDCVDACJKDF-NSHDSACASA-N 381.267 -0.795 30 10 GBEE N#C[C@H](CCCN=C(N)N)N1CCC[C@H]1C(=O)NC(=O)[C@H](N)Cc1ccccc1 6096577 KIJDUGBFUBCRNM-BBWFWOEESA-N 399.499 -0.391 30 10 GBEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCCn1cnc(C#N)n1 367884546 HPCCVRZOCUGDJQ-INIZCTEOSA-N 393.411 -0.011 30 10 GBEE C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 487779278 FFYNRLGTDRHDDC-MRXNPFEDSA-N 380.489 -0.150 30 10 GBEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)CC#N)CC1 576644304 DDQZLVPEACMUSF-GFCCVEGCSA-N 379.442 -0.281 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(N(C)C)n2)CC1 579518332 FZGWWVSDPAMXEK-UHFFFAOYSA-N 388.472 -0.790 30 10 GBEE C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 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380.470 -0.086 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC)CC1 1539452342 PRUWJDMFGHGFBU-OAHLLOKOSA-N 381.502 -0.028 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 1558075206 PNRYMVOIJMNILL-AWEZNQCLSA-N 382.398 -0.760 30 10 GBEE N#Cc1cn(C2CN(C(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)C2)c(=O)nc1O 1558806330 LWVNEJQGSBLKMG-UWVGGRQHSA-N 385.302 -0.482 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 1664295257 KHSXEAVUUIFQIN-UHFFFAOYSA-N 380.488 -0.516 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C 1683096889 IVDGPURNTTWXQX-TUVASFSCSA-N 392.456 -0.127 30 10 GBEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1722361391 MPUAAZHVABBQML-AWEZNQCLSA-N 390.469 -0.170 30 10 GBEE Cn1nncc1C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857070251 KPCLGRSOTFEGHT-AWEZNQCLSA-N 380.412 -0.355 30 10 GBEE N#CCCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4cnnc4C3)C(=O)C2)C1 1857152789 WVSWTYJBGPQKKW-HZPDHXFCSA-N 385.472 -0.111 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(F)(F)CO 2267372516 PLRGQESDHJBYGR-UHFFFAOYSA-N 381.210 -0.375 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CN 2282329839 RYPRGNWVSGDYPK-VXGBXAGGSA-N 384.311 -0.065 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cccnn1 2282332482 BMLGKVHXOUUMIE-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1OCCCO1 2282353884 YYDNZLYBWALVQY-UHFFFAOYSA-N 387.267 -0.239 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN[C@H]2C[C@H]21 2282840942 QSNRQKQLTHTHGV-AXFHLTTASA-N 383.283 -0.857 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](CN2)C1 2282864375 FIEYSDQCVBNWEI-NEPJUHHUSA-N 382.295 -0.298 30 10 GBEE C[C@H](F)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284413918 NXGLQGKMJDWPJI-GZMMTYOYSA-N 391.230 -0.191 30 10 GBEE C#CCOC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCC3CC3)co2)CC1 34677427 QTWZALSOVLHEBA-INIZCTEOSA-N 376.457 -0.057 30 10 GBEE C#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 283490488 CXTQOUORVNZUKT-UHFFFAOYSA-N 378.454 -0.347 30 10 GBEE CC(C)(CO)CCC/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 331292488 LFEYBLUFPNKQQN-UHFFFAOYSA-N 392.522 -0.106 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 366759554 QYKRCGJPHJCUPQ-HUUCEWRRSA-N 379.438 -0.120 30 10 GBEE N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCN1C1CC1 371621645 JRXBNMYYEABMFF-DOTOQJQBSA-N 375.473 -0.634 30 10 GBEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)[C@H]1CCS(=O)(=O)C1 729335303 LUTTUYIMCBQVEJ-KBPBESRZSA-N 376.500 -0.303 30 10 GBEE CN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)C[C@@H](O)c1cccc(C#N)c1 844369847 ZZHWNIVKKODKBP-GOSISDBHSA-N 387.484 -0.244 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 852429525 OOFJHXXQDJVMDS-UHFFFAOYSA-N 380.489 -0.504 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 917926039 SMIQOHAHRWMJGA-ZIAGYGMSSA-N 392.499 -0.371 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 1117874104 PYXICWVHDURHOT-HZPDHXFCSA-N 378.473 -0.445 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCCN1C(=O)c2ccccc2C1=O 1118164544 SNSQFNRUOWAIOA-AWEZNQCLSA-N 383.404 -0.008 30 10 GBEE C#CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCN(C[C@H](O)COC)CC1 1278168564 DUSXGWNNUWYDQF-DSLXNQLJSA-N 380.485 -0.029 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@@H]1O 1281935956 XJBGQOOPABMOFI-WCVJEAGWSA-N 379.457 -0.428 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1325462768 RPQMYQJZKJRIPC-AWEZNQCLSA-N 379.438 -0.586 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)CC1 1326575612 CAERUZMCBCEQHF-UHFFFAOYSA-N 398.467 -0.439 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)CC1 1327158691 DYSQOFQIDKUAQA-HNNXBMFYSA-N 398.423 -0.299 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)CC1 1334281978 LIODEUVMVPXHMI-OCCSQVGLSA-N 383.470 -0.944 30 10 GBEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1557680437 KSJNUAKKTRZVIT-QGZVFWFLSA-N 396.451 -0.247 30 10 GBEE NC(=O)[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(N)=O 1659417505 OSNRBZVAZJXDCP-KBPBESRZSA-N 396.369 -0.308 30 10 GBEE C[C@H]1CN(CCCNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCCO1 1681356479 YOOMTNIDTGOXEY-ZDUSSCGKSA-N 378.433 -0.379 30 10 GBEE C=CCn1cc(C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1701858764 LMSFTEDKSMVGFP-SGAAXARDSA-N 389.456 -0.221 30 10 GBEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1=O 1854240866 HOOYCMFGCGSHQS-ZIAGYGMSSA-N 375.429 -0.112 30 10 GBEE CN1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@H](CNC(=O)C(F)(F)F)C1 2118169923 KCKFDOLDFVZMIT-WDEREUQCSA-N 383.396 -0.629 30 10 GBEE N#CC1(C(=O)N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)CCOCC1 2174814956 OAJIDJXEGANXSI-VHSXEESVSA-N 376.335 -0.312 30 10 GBEE C[C@H](CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2255637602 DWOQFBRDNHTKFF-MRVPVSSYSA-N 375.281 -0.151 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cnsn1 2267718136 ORIIYVKZYMTXKV-UHFFFAOYSA-N 386.268 -0.556 30 10 GBEE CCOC(=O)CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282297333 KCCGBMPQLNZNRN-UHFFFAOYSA-N 388.255 -0.702 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)Nc2n[nH]c(CN)n2)n1 2282497478 QENPKIHUKMVFJH-UHFFFAOYSA-N 383.243 -0.903 30 10 GBEE C=C(CS(=O)(=O)N(CC(=O)NC)CC(=O)NC)B1OC(C)(C)C(C)(C)O1 2282503965 IEQSUUJUOOJGOP-UHFFFAOYSA-N 389.283 -0.702 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCn2ccnc21 2282860981 JADUOUGRDBMCSW-UHFFFAOYSA-N 380.239 -0.480 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 588080555 KBHRKNVOYCVAMJ-AWEZNQCLSA-N 391.472 -0.314 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](n3cncn3)C2)c1 594630680 QBIPORKQNDCXKH-LBPRGKRZSA-N 396.454 -0.284 30 10 GBEE C#CCN1CCN(C(=O)CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)CC1 749551386 MZWXYQUMZSHLMC-NXNVCVFFSA-N 377.441 -0.811 30 10 GBEE C#CCNC(=O)[C@@H](C)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 780565781 NNUOKGSKLNHFNS-SJORKVTESA-N 386.500 -0.021 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 783297591 OITUDPKTAABXRI-CYDGBPFRSA-N 388.442 -0.278 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)n1 809239821 PGKXZGMURBFELO-HZPDHXFCSA-N 389.456 -0.478 30 10 GBEE CN(C)C1CCN(CCNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 921667513 HREBMUBPVGNRHR-PBHICJAKSA-N 383.518 -0.408 30 10 GBEE C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(=O)(=O)CC)nn1 1282633466 LCSHAZQBCBJGHG-DYEKYZERSA-N 381.458 -0.240 30 10 GBEE COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1301447613 CQLCBJRKSHOXIB-DCGLDWPTSA-N 378.433 -0.255 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc(C(N)=O)c1OC)[C@H]1CCS(=O)(=O)C1 1320573858 GTXLQHLBJYRZCT-NSHDSACASA-N 393.421 -0.619 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC2(CO)COC2)c1 1326887587 GMBYTBLYRMYRLA-UHFFFAOYSA-N 389.455 -0.882 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1328595057 GBHBWQKLGDOQPB-ZIAGYGMSSA-N 381.429 -0.401 30 10 GBEE N#CCC1(CNC(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)CC1 1328972025 IBMNCFNYVTWAFM-KGLIPLIRSA-N 375.429 -0.420 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1333855638 DZEKYBKCZYRNEN-UHFFFAOYSA-N 375.491 -0.032 30 10 GBEE C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(C)CCC(=O)NC1 1340240996 FCKXELOWLSIGHF-GOSISDBHSA-N 376.461 -0.073 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](CO)[C@@H](CCO)C1 1457266465 MOASTBLVYFKLFN-UONOGXRCSA-N 395.481 -0.045 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1507638473 RIYLRBQTWGDRJT-AWEZNQCLSA-N 377.470 -0.076 30 10 GBEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132518 QDZSCRKWKLKSRI-SCRDCRAPSA-N 375.472 -0.803 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H]2CCOc3ccccc32)c(=O)n1CCO 1614869344 OMXCEGFBDNYEIU-OAHLLOKOSA-N 384.392 -0.178 30 10 GBEE C=CCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1OC 1702313484 NXKBGWYXQHLZQI-ZNFSNMQZSA-N 382.457 -0.027 30 10 GBEE C=C[C@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1736494849 OOIUJHXETYMDGS-OXRQTFEDSA-N 376.413 -0.476 30 10 GBEE CN(C)S(=O)(=O)CCC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851873635 LHTZCLXTHOJQIT-UHFFFAOYSA-N 395.485 -0.100 30 10 GBEE N#C[C@H]1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CCN1Cc1ccccc1 1914853164 SFTIBRZUCJPATK-SJORKVTESA-N 376.482 0.000 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC(C(=O)O)C(=O)O)s2)OC1(C)C 2269022069 XYXJVFDTOWLVAB-UHFFFAOYSA-N 391.232 -0.137 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCC[C@H]1CO 2282303842 BLXLYYAIZBICQH-WDEREUQCSA-N 386.283 -0.446 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CNCC12CC2 2282343736 HLPRGDAOTJAVTQ-LBPRGKRZSA-N 382.295 -0.250 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CC3(C2)OC[C@@H](O)[C@@H]3O)OC1(C)C 2282528922 YVSYQANNLCWXNH-PWSUYJOCSA-N 382.247 -0.611 30 10 GBEE COC(=O)[C@H](CO)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282544007 MMRXAIQEZDIACB-QMMMGPOBSA-N 387.629 -0.364 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCNC[C@@H]1F 2282849881 HZYJPXFIYACSNE-RYUDHWBXSA-N 388.274 -0.302 30 10 GBEE CC#CCN(CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)C(=O)OC(C)(C)C 2337917879 GLMOIJIVOATMKN-ZDUSSCGKSA-N 386.474 -0.392 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)OC1(C)C 2361660163 YVWYDIOUUBBRCH-MNOVXSKESA-N 379.247 -0.355 30 10 GBEE CN(C)C(=O)CN1CCN(Cc2cc(C#N)n(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 248050276 XLPJRZGHLQTIGT-CVEARBPZSA-N 379.486 -0.732 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 265879285 BLQMEYYAMMIREJ-FXAWDEMLSA-N 397.479 -0.115 30 10 GBEE Cn1ccnc(N2CCC[C@H](N/C(O)=N/CC3CCN(CCO)CC3)C2)c1=O 329325063 VXWFLHHOVZTMAR-INIZCTEOSA-N 392.504 -0.043 30 10 GBEE COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460613836 MRMQXCLWTDIRCY-ZDUSSCGKSA-N 382.380 0.407 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 491155673 KZXODUAKDYRCFX-UHFFFAOYSA-N 398.427 -0.953 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 508830558 ZPOJZRBNIAMRSP-OLZOCXBDSA-N 399.473 -0.204 30 10 GBEE CN1C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)CC1=O 567367941 GCAPINLHZJDPFH-LLVKDONJSA-N 398.466 -0.470 30 10 GBEE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 589069322 DNOQJLOSJZLTAT-CABCVRRESA-N 384.440 -0.367 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@]4(C)CNC[C@]4(C)C3)CC2)c1C#N 600798131 QWZHKFDSNYMNNL-BGYRXZFFSA-N 399.499 -0.293 30 10 GBEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 627290722 ZGQMCCKVFJYYLD-JKSUJKDBSA-N 393.488 -0.747 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)C1 843256915 ZYUPNKHZCSTFDZ-INIZCTEOSA-N 378.473 -0.845 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 844038503 MBHACKQBQHLJRH-AWEZNQCLSA-N 392.481 -0.210 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 875608449 WJTJLFYEVRHKFY-MRXNPFEDSA-N 378.473 -0.702 30 10 GBEE C=C1[C@@H](C(=O)NCCN2CCO[C@H](C)C2)[C@H]1C(=O)NCCN1CCO[C@H](C)C1 900485597 QZWZCKUCXUXFKI-AHCXZYCDSA-N 394.516 -0.538 30 10 GBEE C#CCN1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 917992235 WZSIKLHXNAQVEN-INIZCTEOSA-N 386.518 -0.128 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](CC(=O)OC)C2CC2)CC1 1118672327 GNGBTXRYQWRHQF-HNNXBMFYSA-N 377.441 -0.320 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 1325432839 PQIWKQZDDOCESJ-GOSISDBHSA-N 398.463 -0.449 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 1327599256 SYTURIKWXDHWCC-KRWDZBQOSA-N 388.443 -0.076 30 10 GBEE C#CCN(C(=O)C(=O)NCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1340260969 NWYADHSCWHTXCE-MRXNPFEDSA-N 383.514 -0.127 30 10 GBEE CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2Cc3ccc(C#N)cc3C2)CC1 1346728055 UYYDBVLMXGXLMJ-UHFFFAOYSA-N 391.453 -0.649 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 1508058607 CHVZVZDGMNCPDU-GFCCVEGCSA-N 384.462 -0.877 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508070642 AOXDJXJUXALSPK-LBPRGKRZSA-N 377.449 -0.615 30 10 GBEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNS(C)(=O)=O 1539154733 QYFVXHVVGOWMFR-MRXNPFEDSA-N 385.490 -0.063 30 10 GBEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnnn1C 1594963340 RUFGMQAIXQQHQZ-CYBMUJFWSA-N 396.477 -0.590 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1 1648899830 YEFIDHHANMPWIZ-OKILXGFUSA-N 377.422 -0.162 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2CNC(=O)NC)c1 1663804475 LBOHYMWMTJATBP-AWEZNQCLSA-N 396.469 -0.079 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1705901527 OFEGWXHGROWZGB-QWHCGFSZSA-N 389.460 -0.506 30 10 GBEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1719935781 BZFPKXCCXLBLED-MCIONIFRSA-N 378.429 -0.231 30 10 GBEE C=CCCOCCn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722621883 FZDNQGHGHRBHRO-UHFFFAOYSA-N 375.437 -0.485 30 10 GBEE CN(C)S(=O)(=O)N(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1757790297 AXLILJKOZGKJFR-KFWWJZLASA-N 382.486 -0.614 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1757812948 BNSUVNPMXNSFKB-SUJAAXHWSA-N 389.456 -0.189 30 10 GBEE C#CCNC(=O)CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1892787544 IBVMDTAWEBBYCT-GFCCVEGCSA-N 387.458 -0.724 30 10 GBEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(CC#N)CC2)CCS(=O)(=O)C1 2124688794 RJKRCGRFCNFKKZ-INIZCTEOSA-N 386.474 -0.264 30 10 GBEE C=CCN(CC=C)S(=O)(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2225626273 GOABSLAFZXYMNO-MGPQQGTHSA-N 391.490 -0.164 30 10 GBEE C=CCN1CCN(C(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CC1=O 2236894211 HWMNXUXSAPGHMH-SNPRPXQTSA-N 383.445 -0.426 30 10 GBEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267360212 SHYQRDAWKGMJKP-VHMAXNEBSA-N 392.312 -0.840 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@](O)(C(=O)O)[C@H](O)C2)C1 2281238278 YWWYLVRIJMMROV-QPDIMZNGSA-N 382.413 -0.298 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H]3CC(=O)NC3=O)c2)OC1(C)C 2282348038 GNGTXYUBUWWLET-GFCCVEGCSA-N 380.231 -0.321 30 10 GBEE CO[C@@](C)(CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857485 IUYCCCLPQTWLOF-OAHLLOKOSA-N 389.283 -0.605 30 10 GBEE CC1(C)OB(c2cnc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)s2)OC1(C)C 2283944266 KYDVNBVQFRDHOX-QMMMGPOBSA-N 380.235 -0.343 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(F)(F)C(=O)O 2284411704 NQCWYYVYLDGMKG-UHFFFAOYSA-N 396.181 -0.888 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N[C@@H](CCC(N)=O)C(=O)O)OC1(C)C 2284447107 HTMYWYBTWYQFDF-VIFPVBQESA-N 383.235 -0.109 30 10 GBEE COc1nc(O[C@H]2CS(=O)(=O)C[C@H]2N)ccc1B1OC(C)(C)C(C)(C)O1 2365372955 FLZGNERRDDGGTL-NEPJUHHUSA-N 384.263 -0.108 30 10 GBEE CC(=O)OC[C@H]1O[C@](F)(C#N)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 106385271 KECVBZMPOOTOSB-QKGCVVFFSA-N 375.305 -0.067 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc3cncn3c2)CC1 422470260 GBFUYWLQAUNILA-UHFFFAOYSA-N 384.440 -0.603 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)c1C#N 537350909 BCUDNJQUELDQST-UHFFFAOYSA-N 389.441 -0.395 30 10 GBEE C#CCN1CCN(C(=O)CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)CC1 749551388 MZWXYQUMZSHLMC-OTRWWLKZSA-N 377.441 -0.811 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 806033779 OLHWLLMVENKQLB-OAHLLOKOSA-N 399.517 -0.572 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1117132909 ZNBSCDCVQUWNGM-HZPDHXFCSA-N 383.514 -0.128 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1118098347 YWNFZCVMKVRKCL-HOTGVXAUSA-N 385.420 -0.357 30 10 GBEE COC(=O)[C@@]1(N2CCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)CC2)CCOC1 1118893357 LFTCJXGXQBWGCC-QZTJIDSGSA-N 378.429 -0.775 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(C(=O)OC)o2)CC1 1152974527 VAARENGQXFHICO-FNORWQNLSA-N 381.410 -0.309 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(CO)COCCN2C)c1 1213744225 STVOORLXYIGJTE-QGZVFWFLSA-N 383.470 -0.426 30 10 GBEE 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30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)CCNS(C)(=O)=O)C1 1282488478 VQMSFMXLPFECNP-TUVASFSCSA-N 387.502 -0.273 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1327293431 DKJATKJPOKXMAU-LSDHHAIUSA-N 395.456 -0.011 30 10 GBEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1338862631 GPTNOVOSHALNIB-CQSZACIVSA-N 399.521 -0.604 30 10 GBEE C#CCNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1354916525 RRXZKIJWXRYYRB-YRBFXIGRSA-N 377.441 -0.858 30 10 GBEE O=C1NCCC2(CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)O1 1636433380 UVACCCHBDLNGDI-UHFFFAOYSA-N 378.410 -0.174 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CO)C(=O)OC)s1 1637735722 VOVDDDSLZIPOLR-AWEZNQCLSA-N 376.456 -0.205 30 10 GBEE N#Cc1ccc(N2CCC(C(=O)N3C[C@@H](C(N)=O)[C@@H](C(N)=O)C3)CC2)c(F)c1 1641443339 ARROQLFFBGBEMU-OKILXGFUSA-N 387.415 -0.041 30 10 GBEE CNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1645991683 SRSBOBQDEWNYJD-BLLLJJGKSA-N 397.478 -0.087 30 10 GBEE 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GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CC(=O)N(C)C2=O)C1 1684491299 NAMZXHBRAIDFEC-YJNKXOJESA-N 392.456 -0.127 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCSC2)CC1 1690122586 WGRYOBFIGJJPMH-KDOFPFPSSA-N 390.513 -0.148 30 10 GBEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1 1690175430 XMDUPATUYMFUND-ZDUSSCGKSA-N 397.526 -0.127 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1719106944 ZDSAUHQPAZFHQY-BORJPKMPSA-N 392.456 -0.394 30 10 GBEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCCNS(C)(=O)=O 1722861177 FARZUNSCOKIONR-GFCCVEGCSA-N 385.494 -0.049 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1739391960 IXROJHCIRQONBZ-RFQIPJPRSA-N 391.472 -0.569 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740952732 MABGDIRICQGIBA-WMLDXEAASA-N 389.504 -0.122 30 10 GBEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCC1 1741943173 CZWPDSNDDRRMFC-OLZOCXBDSA-N 398.489 -0.078 30 10 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CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CC(=O)NC2=O)c1 264630931 NVFQVAPPXJIGEI-CPNJWEJPSA-N 393.425 -0.010 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CCN1C1CC1 363240712 SWDMDJPAAUSALL-ZDUSSCGKSA-N 395.416 -0.390 30 10 GBEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508881651 RSQPGPZPTALZGY-MRXNPFEDSA-N 390.488 -0.051 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC(F)(F)C[C@H]2CO)c1 594630488 GQPWTIIAUBNQIL-JTQLQIEISA-N 395.409 -0.121 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 604174893 VPODOHUAKLVQRJ-UHFFFAOYSA-N 395.485 -0.537 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)CC1 647103534 QIXWEUGJZRIFBR-GASCZTMLSA-N 380.489 -0.105 30 10 GBEE C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 780436954 FXJPZJHLAHUSQZ-JFVSRZABSA-N 379.461 -0.001 30 10 GBEE C#CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)[C@@H]1CCS(=O)(=O)C1 781650962 PVADGIWDWAHLGW-CYBMUJFWSA-N 375.410 -0.067 30 10 GBEE COc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1C#N 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10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 1158213671 BNNDJJMOICEJAG-OAHLLOKOSA-N 388.467 -0.570 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([S@@](C)(=N)=O)CC1 1303354372 RFHPICTZVVBLGL-UOXLDJKESA-N 399.498 -0.039 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1325980408 XCCLJNGVMXFYOE-STQMWFEESA-N 375.385 -0.911 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1328791620 JAUCYQFPBFFBOZ-CQSZACIVSA-N 390.440 -0.392 30 10 GBEE C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1nnnn1C1CC1 1331946570 SLPXXCYIZSOTTG-LBPRGKRZSA-N 395.427 -0.199 30 10 GBEE C#CC[C@H](CC)c1nnc(N2CCN3[C@@H](CNS3(=O)=O)C2)n1CCOC 1345821601 DNIZPPPBIHMCGU-KBPBESRZSA-N 382.490 -0.220 30 10 GBEE CN(C)S(=O)(=O)N(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1347000570 AXLILJKOZGKJFR-ILXRZTDVSA-N 382.486 -0.614 30 10 GBEE C[C@@]1([C@@H]2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)COC(=O)N1 1455899842 FGIBJDFCFFOFRW-PXAZEXFGSA-N 375.385 -0.052 30 10 GBEE 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CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 1326410304 PZSJHCRNNRSJLO-HNNXBMFYSA-N 389.378 -0.382 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@@H](C2CCNCC2)C1)[C@@H]1CCS(=O)(=O)C1 1327932856 OXKDQKOMVYZRNT-IAGOWNOFSA-N 395.525 -0.127 30 10 GBEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1340487622 MVJMOGQFBIDSLJ-NEPJUHHUSA-N 385.515 -0.139 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1345887591 ULOZUNJSPMLORM-MRXNPFEDSA-N 399.513 -0.100 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1489600017 VCBDTDFUAPPZMJ-FQLMCAECSA-N 388.486 -0.520 30 10 GBEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1508057648 GMQBRYHXDYONNR-UHFFFAOYSA-N 382.428 -0.152 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1508071441 JDAZBWISDGNEFR-ZDUSSCGKSA-N 391.476 -0.225 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)CNC(C)=O)C1 1513002252 UIDUJPXQJMUHEW-JJXSEGSLSA-N 381.473 -0.182 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](CO)O1 1539266171 MVLSYVAPFXODAA-OWCLPIDISA-N 392.481 -0.207 30 10 GBEE Cc1ccc(C(=O)N2CC(O)(c3nccn3C)C2)cc1S(=O)(=O)NCC#N 1588306333 UEWSAUZJZDWMAR-UHFFFAOYSA-N 389.437 -0.126 30 10 GBEE CC(C)(C)OC(=O)N1CCN(C(=O)C2=NN(CCO)C(=O)CC2)[C@@H](C#N)C1 1629505802 AYUINJBIMFXOIX-LBPRGKRZSA-N 379.417 -0.071 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCn2cnccc2=O)C1 1719305515 PTHCHSOPEOMFKQ-KRXQYRFLSA-N 390.440 -0.698 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC(=O)NC)CC1 1722450873 SNDSSEQQNXCUHS-UHFFFAOYSA-N 376.461 -0.084 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1740640354 LIVDODXZRFRCNE-AWEZNQCLSA-N 398.510 -0.312 30 10 GBEE Cc1c(C(=O)NCCNS(C)(=O)=O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281801998 WHELPBJEQSGBHO-UHFFFAOYSA-N 386.283 -0.693 30 10 GBEE Cc1nn(C)c(C(=O)NC[C@H](C)S(N)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2281985864 MIJWICYBDFYUHO-VIFPVBQESA-N 386.283 -0.565 30 10 GBEE Cc1cc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n[nH]1 2282421408 NGVTZNXEOAAFGT-UHFFFAOYSA-N 382.255 -0.376 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)[C@@H]2CCNC2)n1 2282621218 PKQZDLFMVJFBNK-AFNXNYLOSA-N 383.283 -0.286 30 10 GBEE Cn1nncc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282852714 SRDYIBPBECSCDP-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)N2CC(CS(C)(=O)=O)C2)OC1(C)C 2283055593 HVFNTTDBGVJSRT-UHFFFAOYSA-N 381.263 -0.108 30 10 GBEE CC1(C)OB(c2ncc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)s2)OC1(C)C 2283944563 OUVDSKFVPFOABK-VIFPVBQESA-N 380.235 -0.343 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H]1C(=O)O 2284416087 UCFOCJGBLUTOQS-SECBINFHSA-N 386.239 -0.648 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)O 2356107860 IBURHKITLKKFCZ-FDYHWXHSSA-N 385.417 -0.019 30 10 GBEE C#CCN1CCN(C(=O)[C@H]2CC(=O)C[C@H]2C(=O)N2CCN(CC#C)CC2)CC1 127777906 ZBBIYEWJUMQEJV-KDURUIRLSA-N 384.480 -0.864 30 10 GBEE CC1(C)OB(c2cnc(O[C@@H]3CCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204884741 AZLRLMJZDGDRGH-CHWSQXEVSA-N 379.222 -0.891 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)n1 410447792 MCNUHEIPJPMRFH-HZPDHXFCSA-N 396.451 -0.129 30 10 GBEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCn3ccnn3)C2=O)cc1 500290240 NCRQGYGNBPIBGS-INIZCTEOSA-N 395.423 -0.427 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CNS(C)(=O)=O)CC2)CC1 510192418 MZNYMHWAPXLAET-QGZVFWFLSA-N 399.561 -0.060 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 561476517 BMMNFVMRUZDFSG-UHFFFAOYSA-N 387.487 -0.290 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)C2CCOCC2)CC1 582425610 FRUFZBBDTNGIBB-INIZCTEOSA-N 380.489 -0.246 30 10 GBEE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 593688313 FUVYHMUTPXTIDB-UONOGXRCSA-N 384.396 -0.006 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 594822514 MCWSFFYAGSDQCI-NEPJUHHUSA-N 388.423 -0.565 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)N[C@](C)(C#N)C(C)C 598639434 VQOBCMCBTIWYGP-NVGCLXPQSA-N 379.417 -0.791 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC=C)CC1 800777066 MNFISLLOLILZBG-OAHLLOKOSA-N 394.501 -0.448 30 10 GBEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 862642573 FZHYDKXILOBIJS-JJCXBQPYSA-N 392.456 -0.365 30 10 GBEE C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2OC)cc1 941840368 MHZQMEVAAUNREY-YYIAUSFCSA-N 385.420 -0.224 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)n1 1117198451 HFYPHVGIGKXUNY-INIZCTEOSA-N 389.456 -0.383 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC(F)(F)C[C@@H]3CO)CC2)c1 1117912569 QNGSDPTWOYIRHX-CYBMUJFWSA-N 379.367 -0.170 30 10 GBEE C=CCn1c([C@H]2CCCCC(=O)N2)nnc1N1CCN(CC(N)=O)C(=O)C1 1121517274 KWHXSXZYNHTOLI-GFCCVEGCSA-N 375.433 -0.671 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](COC2CCC2)C(=O)OC)C1=O 1266146789 KNSJSRRRXCAHOL-GFCCVEGCSA-N 381.385 -0.468 30 10 GBEE COC(=O)c1cccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1308127553 DSXXZIKIIUHKCD-MEDUHNTESA-N 378.410 -0.323 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC2(CN(C)C(=O)O2)C1 1330022601 ZRKDWFMHLGDNMN-NSHDSACASA-N 394.475 -0.936 30 10 GBEE Cc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cnn1CCC#N 1443005791 RPDYUPVMAHLJLR-HUUCEWRRSA-N 381.458 -0.667 30 10 GBEE N#Cc1ncn(CC(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)n1 1444576195 COYAFRIAVZBNSQ-UHFFFAOYSA-N 389.460 -0.773 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 1587092301 AGVOVVDLSWKLDX-AWEZNQCLSA-N 375.406 -0.140 30 10 GBEE COC(=O)c1cccn(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1=O 1627136302 FMDKRTOFVWQNQN-MEDUHNTESA-N 379.394 -0.968 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](CO)[C@@H](O)C3)C2=O)cc1 1638460998 MERAWPUKDGWNRF-BMFZPTHFSA-N 386.408 -0.035 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CNC1=O 1702906183 PFCMSGBBGZVAJW-RDBSUJKOSA-N 378.429 -0.231 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1749670060 OELBREUYUGCTRD-KBPBESRZSA-N 392.460 -0.227 30 10 GBEE CNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1767804302 GFHROGCOORYALI-NSHDSACASA-N 387.400 -0.129 30 10 GBEE N#Cc1cn(CCN2CC(=O)N(CCc3ccccc3)C(=O)C2)c(=O)nc1O 1851875728 HBVRMECESNDVAA-UHFFFAOYSA-N 381.392 -0.266 30 10 GBEE CC1(C)OB(c2cnc(NS(=O)(=O)CS(C)(=O)=O)nc2)OC1(C)C 2040762091 YSWQJSQTZQTGFU-UHFFFAOYSA-N 377.253 -0.480 30 10 GBEE CN1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](CNC(=O)C(F)(F)F)C1 2174784658 QLHDTDKTUFRJGC-LLVKDONJSA-N 391.375 -0.064 30 10 GBEE C=CCN(CC=C)S(=O)(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2225626274 GOABSLAFZXYMNO-RDBSUJKOSA-N 391.490 -0.164 30 10 GBEE C#CC[C@@H](CO)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249451359 UPQATSNYLBUWIM-LSDHHAIUSA-N 398.437 -0.242 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N=[S@](C)(=O)CCN 2267377716 GSSFMGLXUSVXCX-XMMPIXPASA-N 392.312 -0.536 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2267485071 DBQPAXVXCWNYPZ-ZJUUUORDSA-N 388.276 -0.670 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CC(=O)NC2=O)OC1(C)C 2267714537 LNRCFPHLYHVGQF-SECBINFHSA-N 386.260 -0.259 30 10 GBEE C[C@H]1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CO1 2282301610 GIKVFVBDHLGVRR-QWRGUYRKSA-N 386.283 -0.040 30 10 GBEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)OC1(C)C 2282673963 DICSWTFNGMLKED-PEGIJTEDSA-N 379.247 -0.451 30 10 GBEE COC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)OC 2282853290 ASFOBGKJUDUQFR-NSHDSACASA-N 389.283 -0.341 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CC(=O)NC[C@@H]2C(=O)O)OC1(C)C 2284493339 ZKJXVGRGEANXSP-SECBINFHSA-N 381.219 -0.533 30 10 GBEE COc1[nH]c(=NCC2(O)CS(=O)(=O)C2)ccc1B1OC(C)(C)C(C)(C)O1 2365346792 ZVUFRYFSSIKLFX-UHFFFAOYSA-N 384.263 -0.617 30 10 GBEE CN1C[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1=O 286950786 JCERBDOYNPNOOP-DLBZAZTESA-N 383.452 -0.040 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)n1 441304158 QUMPAHDKOXAFBZ-UHFFFAOYSA-N 380.343 0.497 30 10 GBEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(O)(CN2CCOCC2)CC1 754071079 KGWFATDGDIDGPQ-UHFFFAOYSA-N 380.470 -0.131 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 755493389 QFIYMAAALOHNBX-CYBMUJFWSA-N 381.454 -0.121 30 10 GBEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1CCCO1 773548799 NJNBRLVNIHZDRB-HUUCEWRRSA-N 386.474 -0.929 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 825967671 KTXVXPUDEPGBSW-UONOGXRCSA-N 391.390 -0.136 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 839595912 GJWASMGGXKTGHI-CQSZACIVSA-N 391.449 -0.266 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)n1 845943174 APFBJMIJJAUMTN-HNNXBMFYSA-N 398.398 -0.073 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cc1 855405646 NCZOIBYSHQGHIE-QGZVFWFLSA-N 382.438 -0.504 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)C1=O 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378.425 -0.599 30 10 GBEE C#CCN(C(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1346328485 XVPPWXIBRZQLOR-CQSZACIVSA-N 397.497 -0.600 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)C1=O 1469485362 QGMMRCIPKGKZDZ-GXTWGEPZSA-N 379.413 -0.210 30 10 GBEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1 1543755645 UJFPJJDOYZVABD-AWEZNQCLSA-N 376.438 -0.444 30 10 GBEE N#Cc1cc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccn1 1626736955 CZOAWYPWCUSIBO-ZDUSSCGKSA-N 375.410 -0.265 30 10 GBEE C#CC1(O)CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 1641040413 HOIFJCQYWDXZCR-UHFFFAOYSA-N 379.394 -0.771 30 10 GBEE C#CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 1645781758 QLKOUUGSQUFNTI-UHFFFAOYSA-N 386.437 -0.075 30 10 GBEE CS(=O)(=O)NC1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1678472111 AXBWOLKKTHKDGK-UHFFFAOYSA-N 378.458 -0.135 30 10 GBEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)NC 1689944503 UESNZZDBAQUZIW-UHFFFAOYSA-N 377.430 -0.456 30 10 GBEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNS(C)(=O)=O 1689973758 ONTGIPNOPYMOIT-UHFFFAOYSA-N 396.498 -0.112 30 10 GBEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705532730 QIQYMZDWDQPASL-HUUCEWRRSA-N 386.456 -0.268 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNS(=O)(=O)CC 1736521726 LAHKLNZRTDWCTB-MRLBHPIUSA-N 385.486 -0.235 30 10 GBEE Cc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742805712 CTPUSBYROMQVJA-ZPICJPFVSA-N 385.428 -0.171 30 10 GBEE C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)COCCN(C)C)nn1 1757726358 WZNDJIZOZUWYJT-YCPHGPKFSA-N 376.461 -0.096 30 10 GBEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CN(C)C1=O 1757736455 HHCZHXSVDURTRZ-RDBSUJKOSA-N 378.429 -0.279 30 10 GBEE C#CCN(c1nnc(C2CC2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1760187414 DCACLYAUFIHMKS-WMLDXEAASA-N 380.470 -0.066 30 10 GBEE O=S(=O)(N=c1nc(C#CCO)[nH]s1)N1CC(OCc2ccccc2)C1 2047603118 CJENYLBAGUJTJY-UHFFFAOYSA-N 380.451 -0.139 30 10 GBEE COC(=O)[C@H](C)S(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2047611665 BBBVGGNEEMLLFC-ZETCQYMHSA-N 377.253 -0.438 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(O)(C(N)=O)C2)OC1(C)C 2267366329 DVDIOULWJDKNMK-UHFFFAOYSA-N 388.276 -0.732 30 10 GBEE Cc1csc(C(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2281996740 SOOMMVJXAQAOHD-RSLMWUCJSA-N 383.275 -0.059 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC2(CNC2)C1 2282351114 WQEBMJYINBEGHY-UHFFFAOYSA-N 382.295 -0.250 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282832213 LMSLJZQHMKLBTN-NEPJUHHUSA-N 384.311 -0.065 30 10 GBEE CC(C)[C@@](C)(O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282836561 LSZXOPAGLIETCU-HNNXBMFYSA-N 388.299 -0.200 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCOCCO)n1 2282840058 CTIJLUAAVFKNKV-UHFFFAOYSA-N 389.283 -0.603 30 10 GBEE CC1CC(CO)(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282841673 PJEVASPWSIKKLX-UHFFFAOYSA-N 386.283 -0.446 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CCNCC1 2282853470 DHAWLHFPULUIMG-UHFFFAOYSA-N 384.311 -0.003 30 10 GBEE COC1(CO)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282853784 JBNVHQIRDOIFPJ-UHFFFAOYSA-N 387.267 -0.899 30 10 GBEE CC[C@H](C#N)N1CCN(C(=O)[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 2357915998 NHZPXQLISBWAMI-BARDWOONSA-N 382.461 -0.226 30 10 GBEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)CS3(=O)=O)nc1B1OC(C)(C)C(C)(C)O1 2361524105 IFTWLGNKXZLREY-ZYHUDNBSSA-N 381.263 -0.412 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H](N)C[C@@H](C(N)=O)C2)OC1(C)C 2362575657 XHAZKVCLEAGGGD-ZJUUUORDSA-N 380.279 -0.283 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 265327093 KPMGEKGHJXCVBP-CYBMUJFWSA-N 385.467 -0.638 30 10 GBEE Cn1c(=O)c2cc(/C(O)=N/CC3CCN(CCO)CC3)cnc2n(C)c1=O 328881661 LJCRSWVQLJKMAN-UHFFFAOYSA-N 375.429 -0.359 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(N)(=O)=O)c2C)CC1 513810785 HPJLUYJBVVXMLV-UHFFFAOYSA-N 380.470 -0.298 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 581278513 ROSOQIALCJCDDW-HNNXBMFYSA-N 377.489 -0.801 30 10 GBEE COc1cccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 586840497 CIKQVWQLCBKOKS-UHFFFAOYSA-N 397.439 -0.031 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 588108401 JXPYKSOHHDDLCN-OAHLLOKOSA-N 387.440 -0.229 30 10 GBEE CO[C@@]1(CO)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 595657607 CTPBNLJNOWJKFW-SFHVURJKSA-N 377.445 -0.023 30 10 GBEE C#CCOCCNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 753159368 MUOIYMYQDBABAR-UHFFFAOYSA-N 396.249 -0.140 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2([S@](C)=O)CCC2)n1 809896232 ILJXWZHSWOHSCO-MHZLTWQESA-N 394.497 -0.091 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@@H]2c2ccnn2C)c1=O 844759608 YLSOIAHPGIGORQ-OAHLLOKOSA-N 388.428 -0.692 30 10 GBEE Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NCCNc1ncccc1C#N 846722397 SCGNAXQRVLBPMB-OAHLLOKOSA-N 383.412 -0.185 30 10 GBEE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 855448847 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GBEE CNCCOCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282860098 VNTCGBCJMRSNIP-UHFFFAOYSA-N 388.299 -0.766 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](CCF)C(=O)O 2284406071 TWDORIPZFHNZKR-MRVPVSSYSA-N 392.218 -0.795 30 10 GBEE CO[C@@H](CN)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2365475953 AIPWEYNSZZRBIO-NSHDSACASA-N 388.299 -0.720 30 10 GBEE CC1(C)OB(c2cnc(S(=O)(=O)[C@H]3CCCN(CCN)C3)nc2)OC1(C)C 204880157 VHYFCJHJFPOZCF-AWEZNQCLSA-N 396.322 -0.027 30 10 GBEE CC/N=C(/NC[C@@H](O)C(F)(F)F)N1CCN(c2nccn(C)c2=O)CC1 262767336 GLVULLYACUPSDF-LLVKDONJSA-N 376.383 -0.209 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)C1=O 564104913 LNNUMYDMRVPRPL-MBNYWOFBSA-N 375.385 -0.305 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCN(C)S(C)(=O)=O 593528268 KIODIDHYRXKCER-UHFFFAOYSA-N 389.455 -0.095 30 10 GBEE N#C[C@H](CO)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 597749294 INVOXKHTEFGQBC-GFCCVEGCSA-N 383.426 -0.093 30 10 GBEE CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 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392.481 -0.473 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCS(=O)(=O)C1 1324326867 GJGDPTJUOIEBJB-HNNXBMFYSA-N 389.433 -0.146 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1330451865 PBKAKHYOZGBRSL-ZIAGYGMSSA-N 381.429 -0.401 30 10 GBEE C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)[C@H]1CCS(=O)(=O)C1 1352905516 QIRIUEWJGGRVDJ-JTQLQIEISA-N 395.462 -0.439 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1490874741 NIOYVNRZKNZQSQ-DGAVXFQQSA-N 376.413 -0.833 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)CC 1539025565 KDKMYGPHJJIAJV-CYBMUJFWSA-N 382.490 -0.202 30 10 GBEE Cn1c(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c(C#N)c(=O)n(C)c1=O 1559273813 FVYKNIOUSNNDFN-MCIONIFRSA-N 389.456 -0.408 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc2n1CCOC2 1586074982 JORJCXUXASFQRO-UHFFFAOYSA-N 375.410 -0.232 30 10 GBEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705540237 RAPYPMXEPFQOKN-OAHLLOKOSA-N 399.459 -0.122 30 10 GBEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1705834322 IOGVQAZDSXTNAF-RYUDHWBXSA-N 391.519 -0.055 30 10 GBEE C#CCCOc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 1739685307 UIDDRFRSMMDTML-TWMKSMIVSA-N 385.420 -0.488 30 10 GBEE C=CCN1CC[C@H](N2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C(=O)C2)C1 1853633390 YPHNPKQRHVXWEM-HOTGVXAUSA-N 388.472 -0.141 30 10 GBEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccnc3)C2)CC1=O 1856783205 KLYQJXBCAQARJS-CHWSQXEVSA-N 381.410 -0.036 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)Cc3ccccc3)C(=O)C2)C1 1856851272 XBWOININVVMVEL-INIZCTEOSA-N 390.465 -0.172 30 10 GBEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1S(=O)(=O)N1CC(C#N)C1 2118166092 HQYPMEMGGZAAGY-HNNXBMFYSA-N 390.462 -0.725 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)CO)cc2F)OC1(C)C 2267364001 SAICOSFIXLCMSH-JTQLQIEISA-N 375.227 -0.244 30 10 GBEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CCS(=O)(=O)N2)OC1(C)C 2267547590 MIXBWNCYVPBRFQ-SECBINFHSA-N 387.292 -0.136 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCS(=O)(=O)CC2)n1 2281951785 NPTNYGLBTCACHZ-UHFFFAOYSA-N 384.267 -0.579 30 10 GBEE CCO[C@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282306193 KGPZESZPMKXYQA-PHIMTYICSA-N 386.283 -0.040 30 10 GBEE CO[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1CC1 2282318598 IAZIPBSGQRBLQJ-NSHDSACASA-N 386.283 -0.182 30 10 GBEE C[C@H](C1CNC1)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282858614 ZSHMQUJWSCRTLK-LLVKDONJSA-N 384.311 -0.052 30 10 GBEE C#CCNc1nc(N[C@H]2CCC(=O)N(C)C2)nc(N[C@@H]2CCC(=O)N(C)C2)n1 286643124 BXTCNYQRNLBNBI-BETUJISGSA-N 386.460 -0.018 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCOCC2(CC2)C1 349460939 QBVBWHZOISAUON-ZDUSSCGKSA-N 379.504 -0.008 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@](C)(O)C1 349535949 BMUCYVVTERNTOV-MJBXVCDLSA-N 395.503 -0.846 30 10 GBEE CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 377950647 VOLFIBOBXWNUMH-CQSZACIVSA-N 397.439 -0.007 30 10 GBEE C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)S(N)(=O)=O 445611249 CQCDRSKBAXVRJQ-ZDUSSCGKSA-N 395.485 -0.758 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC)cc2)CC1 491157485 XYLZPUOUVSUQMB-UHFFFAOYSA-N 387.440 -0.569 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1 514858764 XQYBXVYIDOJBOY-UHFFFAOYSA-N 381.521 -0.867 30 10 GBEE COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 527861802 CRGJPAIAKIJUKS-ZIAGYGMSSA-N 393.400 -0.793 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)CC2)n1 552346015 VALRCNKZZHYTPX-MRXNPFEDSA-N 387.440 -0.086 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ncn(C(C)C)n3)CC2)c1C#N 593610086 VXWANSWVMCYPKO-UHFFFAOYSA-N 385.432 0.060 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 805276010 RFFKJOOHSYNLLH-GFCCVEGCSA-N 382.508 -0.843 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 831560877 JZIBTXXPQLMBHA-CYBMUJFWSA-N 383.499 -0.276 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 831560882 JZIBTXXPQLMBHA-ZDUSSCGKSA-N 383.499 -0.276 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccnn2CC2CCC2)CC1 914059943 XATHHUVFWJDQKI-UHFFFAOYSA-N 379.486 -0.261 30 10 GBEE C#CCN(C(=O)N[C@@H]1CCc2nc(COC)nn2C1)[C@H]1CCS(=O)(=O)C1 1116464540 HGDIRSTXAFDSLP-OLZOCXBDSA-N 381.458 -0.429 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ccnc3O)cc2)CC1 1175515339 YAIJNQLPLMYYAH-UHFFFAOYSA-N 389.437 -0.197 30 10 GBEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)NCC(=O)NCC#N)CCO2)cc1 1227974798 JHDXHAVVKBLCOM-AWEZNQCLSA-N 380.426 -0.187 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(OC(C)C)CCOC2)CC1 1251197078 JRFQZAMOLGZMLS-MRXNPFEDSA-N 388.490 -0.635 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)F 1286272432 BTHQYXUTJHPIBW-NXEZZACHSA-N 392.432 -0.273 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1286407397 KLCFOGROAQEGOQ-KBPBESRZSA-N 375.454 -0.263 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 1289127748 PYTHXQASSWSCFN-LWGWVAHUSA-N 393.440 -0.805 30 10 GBEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)C1 1303558206 JMTTVQXSTKAVSO-ZDUSSCGKSA-N 386.437 -0.075 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H]4COC[C@]4(C)C3)CC2)c1C#N 1327339408 CMLGNCSEPUYHSZ-LIRRHRJNSA-N 386.456 -0.256 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)CC1 1336509797 LIWMSXIYHONUKJ-BBWFWOEESA-N 394.468 -0.215 30 10 GBEE C=CCn1c(-c2ncc[nH]2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1339811967 ZOUGBNRAEKKHNI-UHFFFAOYSA-N 386.460 -0.165 30 10 GBEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359286811 SYBWQZGDPKCYAA-RYUDHWBXSA-N 385.432 -0.053 30 10 GBEE C[C@]12CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C[C@]1(C)C(=O)NC2=O 1457971621 LEOFHBKAIYYOMA-IAGOWNOFSA-N 390.421 -0.652 30 10 GBEE CN1CCN(C(=O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1472416030 CGRWWPLFWKZIRB-UHFFFAOYSA-N 382.417 -0.373 30 10 GBEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)C1CCOCC1 1538760818 HKDOONNLMUMIMA-TYNCELHUSA-N 390.483 -0.635 30 10 GBEE C#CCC1(O)CCN(S(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC1 1622493268 DNPBEMBDISDZOO-UHFFFAOYSA-N 378.410 -0.427 30 10 GBEE C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CCC(N)=O)NC(C)=O 1702974331 UJIUBYILKGNIOX-QXSJWSMHSA-N 376.457 -0.192 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@@H]1O 1719276676 BLDKPXPHEIEHAY-KRXQYRFLSA-N 381.473 -0.038 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1736520929 JIWZQBKSFQXVAG-XBFCOCLRSA-N 376.413 -0.852 30 10 GBEE CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](CNC(=O)C(F)(F)F)C1 2174783580 DOASNWBEPSPLCL-NSHDSACASA-N 391.375 -0.064 30 10 GBEE COC(=O)[C@@H](CO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469574 XSQRZOXFTCZPPC-SNVBAGLBSA-N 391.276 -0.141 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CNC[C@H]2O)OC1(C)C 2267726111 KLUOIIIZWGCXJQ-CMPLNLGQSA-N 388.320 -0.094 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCS(=O)(=O)N1 2282051331 SRGYCWDOTKTGHK-SNVBAGLBSA-N 384.267 -0.859 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)OC1(C)C 2282176070 PJGKFZRRAWRKHC-ZIAGYGMSSA-N 381.259 -0.127 30 10 GBEE Cn1ncnc1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282290319 PWWOIYCPCJZMEM-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H]2CCNC2)n1 2282489502 DUGAUUJBLCYUJV-LBPRGKRZSA-N 384.311 -0.003 30 10 GBEE C#CCN(CCOC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282860484 AWDJPZNCMBALCD-UHFFFAOYSA-N 384.267 -0.615 30 10 GBEE Cn1cc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)cn1 2282867838 FCWSHIHBIPANHR-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE C[C@@H]1C[C@@]1(NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284407227 JBHZRESKKDCEQZ-CLAHSXSESA-N 386.239 -0.744 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2368716564 DOMNYLAJZIXQTK-AICCOOGYSA-N 380.445 -0.474 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 25301786 YMWKBPUGJSCENX-QGZVFWFLSA-N 394.497 -0.442 30 10 GBEE NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 253578141 XYOUZVQYNGPHCO-LNKIKWGQSA-N 381.334 -0.168 30 10 GBEE Cn1cc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cn1 289555167 GNJHHWONJYOZPE-INIZCTEOSA-N 388.409 -0.072 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 491083596 YBISRCUVEOOOOY-UHFFFAOYSA-N 398.427 -0.953 30 10 GBEE CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c1 564100550 VJIKCQSDLKTPPZ-UHFFFAOYSA-N 386.455 -0.659 30 10 GBEE CCO[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@H]1CN 593784637 TWPFHHGNMZSAMA-GDBMZVCRSA-N 386.456 -0.576 30 10 GBEE CS(=O)(=O)[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C(F)(F)F 594807714 NJFWDMINODKFDG-IVZWLZJFSA-N 391.393 -0.637 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCC(=O)N(C)CC1 595970170 LAJTWVSGYLVIJQ-ZDUSSCGKSA-N 394.519 -0.566 30 10 GBEE CN(C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 597575252 VUZPJIAHNUDDQA-QGZVFWFLSA-N 380.470 -0.248 30 10 GBEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N=c1cc[nH]c(C#CCO)c1 703967210 OFSGMZPETVTDAE-UHFFFAOYSA-N 385.401 -0.115 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCCCN(C)C2=O)c1=O 872672749 XNBGCHCHZBLZLA-AWEZNQCLSA-N 377.445 -0.556 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CNCC3(CCOCC3)C2)C1=O 911392568 REFGYVRBUIUYDZ-LSDHHAIUSA-N 378.473 -0.493 30 10 GBEE CC[C@@]1(C)CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 1118838391 UTIILESSLFDXNK-KRWDZBQOSA-N 375.385 -0.769 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)N3)n2C[C@H]2CCOC2)CC1 1123152614 MUNHAPYVNSTVCO-CABCVRRESA-N 394.501 -0.566 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCS(=O)(=O)C1 1261168995 GJJXESSEFKNQOR-LXTVHRRPSA-N 380.466 -0.291 30 10 GBEE C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1320346818 HCNYQQCSPSOWIM-AWEZNQCLSA-N 396.455 -0.170 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCOCC(F)(F)F 1321433091 GAPORAOSJVJRFY-ZHACJKMWSA-N 378.307 -0.676 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H](O)CC(F)(F)C3)CC2)c1 1325943690 DCPAYDRLPBZRDM-ZDUSSCGKSA-N 379.367 -0.170 30 10 GBEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)C1 1332962704 JGXKYXFMDXBGNI-JKSUJKDBSA-N 399.513 -0.243 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1CCN1C1CCOCC1)C1CCN(C)CC1 1354984538 JEZSTNNQIJSUCZ-GOSISDBHSA-N 376.501 -0.088 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](O)[C@H](CO)C1 1451598456 UBQJBMRRSAKMET-JSGCOSHPSA-N 381.454 -0.293 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C1CC1 1507643650 XJVATUWWBCDYJF-ZDUSSCGKSA-N 392.485 -0.513 30 10 GBEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1587842100 LBLKNMAMMWKLKE-AWEZNQCLSA-N 382.428 -0.761 30 10 GBEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1595584727 OUFLLLGLYLWPIV-UHFFFAOYSA-N 385.398 -0.171 30 10 GBEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1620354589 APVQKCBIHDGNEY-QWHCGFSZSA-N 389.441 -0.101 30 10 GBEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@](C)(C#N)C2)c1 1636284767 VATWZEYNHNPTAS-QGZVFWFLSA-N 394.453 -0.192 30 10 GBEE COC(=O)[C@](C)(CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1638857706 RLKYUTLEUXHBDU-INIZCTEOSA-N 383.426 -0.455 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCNC(=O)CC(C)C)C1 1702190279 OUASWAPXKQCJIK-FPCVCCKLSA-N 381.473 -0.182 30 10 GBEE C[C@@H](NS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(C#N)[nH]1 1740279272 VURQDNSNBNMNJO-RCCPXBDUSA-N 379.442 -0.314 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760530464 QAIGVLUZVRLFJQ-AYDFFVQHSA-N 393.444 -0.134 30 10 GBEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2CN3CCN2CC3)c2ccccc21 1855763617 PJQWTAKMOGREPH-HNNXBMFYSA-N 389.437 -0.781 30 10 GBEE CN(C[C@H]1CC(=O)N(C(=O)c2ncccn2)C1)C1CN(c2nccnc2C#N)C1 1856233320 TXKSTPCVVGDDGV-CYBMUJFWSA-N 392.423 -0.052 30 10 GBEE CC1(C)OB(c2cc(C(=O)NC[C@H]3[C@@H]4CS(=O)(=O)C[C@H]34)[nH]n2)OC1(C)C 2281990823 RUGSXWHCDZMENV-RTCCRHLQSA-N 381.263 -0.271 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NCC(=O)N2CCNCC2)OC1(C)C 2282028055 YXLIBLICEBHMGN-UHFFFAOYSA-N 380.279 -0.396 30 10 GBEE CC(C)N(C)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282292325 UEYKDFUOFDKQMK-UHFFFAOYSA-N 387.315 -0.267 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282507593 JQMKDNNLJAIFQL-NEPJUHHUSA-N 385.295 -0.032 30 10 GBEE CN([C@@H]1[C@@H]2CNC[C@@H]21)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837590 FRQRXMBRJDRTES-PTEHBNRSSA-N 382.295 -0.442 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CO1 2282842453 YSBHFXATQMSPLJ-MNOVXSKESA-N 386.283 -0.088 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)N2CCS(=O)(=O)CCO2)OC1(C)C 2283061347 LSSTZGRNROZHPE-UHFFFAOYSA-N 383.235 -0.422 30 10 GBEE C#CC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284405053 FVAILQNNWCQZQP-NSHDSACASA-N 383.235 -0.526 30 10 GBEE C[C@@H](/C=C/[C@H]1C(CO)=CC(=O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257381074 AURHKHAKYLTFJN-JMENGIMRSA-N 386.441 -0.719 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCNC4)CC3)CC2)n1 423419759 APGHHVKIXQFYGB-QGZVFWFLSA-N 397.483 -0.892 30 10 GBEE CCC(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 425798047 FMRBAVCSRWADHF-UHFFFAOYSA-N 381.396 0.175 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 491487515 RWAJPADYRZFMSR-UHFFFAOYSA-N 397.439 -0.348 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCc3cc(N)ccc32)CC1 578524658 NHMNMUXQWIPGFQ-KRWDZBQOSA-N 385.468 -0.181 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3cc(C)c(C#N)cn3)C[C@@H]12 595185629 RKPJSCDMTPHHOD-XQQFMLRXSA-N 378.410 -0.529 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 607253440 RXOBWZDWKRROSR-GJZGRUSLSA-N 386.518 -0.028 30 10 GBEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCN1C1CC1 742665837 QWGDTNRWVRTJFS-CQSZACIVSA-N 376.438 -0.242 30 10 GBEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CCO 779317328 QABWDILREIQVRY-CYBMUJFWSA-N 380.470 -0.360 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)n1 790105567 QESGWTQZIUXIJS-INIZCTEOSA-N 382.486 -0.390 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(OC)CCOCC2)n1 807063550 VGQHOHHSAHYRDQ-UHFFFAOYSA-N 392.456 -0.197 30 10 GBEE C#CCN(CC(=O)N[C@@H]1CCN(C2CC2)C1)CC(=O)N[C@@H]1CCN(C2CC2)C1 874187625 GJOXPAWEBYBVOE-IAGOWNOFSA-N 387.528 -0.373 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNCC(=O)NC(=O)NC)C1 1264533576 NGGZZDFUFIHGMP-APIJFGDWSA-N 382.461 -0.514 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC=C 1286396118 CWPWDMGRXAJJLQ-CYBMUJFWSA-N 378.458 -0.737 30 10 GBEE CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1287137420 CQDAQLAOARHDHH-STQMWFEESA-N 375.433 -0.270 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 1325211247 UEXNVPDHLAZTDO-KRWDZBQOSA-N 399.447 -0.095 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@@H](CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1330354086 SPQUBXVCNFKNCC-NEPJUHHUSA-N 396.387 -0.185 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1357120251 ZOYHTNPVYRQWHD-OAGGEKHMSA-N 378.477 -0.067 30 10 GBEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)N(C)C 1358940191 QOZHIBBHCMRFPH-INIZCTEOSA-N 385.490 -0.109 30 10 GBEE CO[C@]1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCS(=O)(=O)C1 1471400199 LXRARUAVGNWVTC-KRWDZBQOSA-N 393.469 -0.011 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1COCCO1 1539177724 BCUGJZUDPSZVPM-KBPBESRZSA-N 399.473 -0.904 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 1621179414 KIJJRUVUTCJDPW-GJZGRUSLSA-N 396.407 -0.001 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)c1 1637196144 NHHJVSDTMUNGJF-QGZVFWFLSA-N 389.437 -0.531 30 10 GBEE Cc1ccc(C(=O)N2CCN(CCO)C[C@H]2C)cc1S(=O)(=O)NCC#N 1642574164 IITOVKNSYLJTRJ-CQSZACIVSA-N 380.470 -0.065 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)cc1 1645166942 KDKAWMMHFXHADN-HNNXBMFYSA-N 391.449 -0.377 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COC)[C@H]2CCCOC2)CC1 1676114456 ZDTKQRIAQKVKLQ-LSDHHAIUSA-N 388.490 -0.777 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 1685893013 PRASVMSODLGMLP-AWEZNQCLSA-N 386.474 -0.533 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccncn2)C1=O 1857148808 FVQCJYCGAHFNLG-HNNXBMFYSA-N 378.396 -0.300 30 10 GBEE C#CCCNC(=O)COc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2086861392 KDSNQBLQUJSIDL-CQSZACIVSA-N 383.360 -0.394 30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CNC[C@@H]2O)OC1(C)C 2267723591 WGOPWGVTSBLDNZ-NEPJUHHUSA-N 388.320 -0.201 30 10 GBEE Cn1cc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282047003 SPMHLQNFUSGXSS-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CC[C@H]1CNC2 2282303994 DOTAIZXGDBGINC-BONVTDFDSA-N 383.283 -0.855 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCNC1(C)C 2282324674 SHWKWADWXUMLME-SNVBAGLBSA-N 385.299 -0.467 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1nnc(O)o1 2282339906 YVRLYPXLIKHGOR-UHFFFAOYSA-N 385.211 -0.714 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@](F)(CO)C1 2282348973 RZSQQDNSRVAYJO-OAHLLOKOSA-N 389.258 -0.186 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3C[C@H]2C[C@@H]3O)n1 2282496552 CXRSDLOWSNSNHH-MDZLAQPJSA-N 383.279 -0.137 30 10 GBEE CC(C)N(CC(N)=O)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503135 VJKJOVQGHFGYOS-UHFFFAOYSA-N 386.283 -0.396 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC=C[C@@H]1CO 2282835884 ZKBWZESPMUFJST-LLVKDONJSA-N 384.267 -0.574 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CCOC[C@H]1C2 2282864519 HDFFLLUDEGUWBK-BMIGLBTASA-N 384.267 -0.428 30 10 GBEE C=C(CS(=O)(=O)NCc1nnnn1CCOC)B1OC(C)(C)C(C)(C)O1 2282873762 PLKCXESAACNORL-UHFFFAOYSA-N 387.271 -0.074 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](NC(=O)CCC)C2)c1=O 101538886 AMADKOLJDJPPEJ-HNNXBMFYSA-N 391.472 -0.118 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@@H](C)O)[C@H](C)C3)CC2)o1 106098463 PJDISCSXIJMDAR-HUUCEWRRSA-N 390.488 -0.110 30 10 GBEE C[C@@H](/C=C/[C@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238756240 AURHKHAKYLTFJN-DSFNCLLUSA-N 386.441 -0.719 30 10 GBEE biogenic CC(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 297892937 QYGBIUDNRKQNSC-UHFFFAOYSA-N 398.467 -0.071 30 10 GBEE C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC(=O)N1C 349507528 YKTCYAZRRRXJCI-VXGBXAGGSA-N 380.492 -0.958 30 10 GBEE N#Cc1cn(C2CN(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2)c(=O)nc1O 530264708 ASDVOKAPKJARCU-CHWSQXEVSA-N 385.380 -0.621 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)C(=O)C2)c1 570739040 IUTWSDGLEJYYND-NSHDSACASA-N 386.455 -0.660 30 10 GBEE C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 586842836 QUSMHNQYRGRHDZ-GFCCVEGCSA-N 398.427 -0.131 30 10 GBEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCO[C@H](CC(N)=O)C3)C2)nc1 599559199 RUPLFEOVXZQEJD-ZIAGYGMSSA-N 387.396 -0.964 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CC1 796120715 DPEPQKQLLQNPIT-AWEZNQCLSA-N 382.461 -0.580 30 10 GBEE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N[C@@H]1CCCN(O)C1=O 816756896 HGVWFUDJNMAMKF-ZBFHGGJFSA-N 386.408 -0.042 30 10 GBEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(CCF)c2)c1=O 901903166 JLDRNJJAHHHMGS-UHFFFAOYSA-N 387.440 -0.262 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)C1CCN(C)CC1 910885190 HNWPLMIPOUSYPK-OAHLLOKOSA-N 384.502 -0.917 30 10 GBEE C#CCN(C(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 1116462636 CMPVMBZGISQHRY-ZDUSSCGKSA-N 377.488 -0.758 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccccc1-n1ccnn1)[C@H]1CCS(=O)(=O)C1 1116703785 NUSUINNOJOUCFD-ZDUSSCGKSA-N 387.421 -0.145 30 10 GBEE C#C[C@H](NC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 1118500951 CSEZCJLBOPBPFI-CABCVRRESA-N 385.486 -0.250 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)nn1 1118721875 CPLITGLSVIYAQF-CQSZACIVSA-N 375.433 -0.513 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN1C(=O)CCC1=O 1282759261 FEPSVFAPGNMVAD-YJNKXOJESA-N 375.425 -0.188 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N2CCOCC2)CC1 1286479306 GTKOXTFSFHNJKQ-MRXNPFEDSA-N 388.472 -0.604 30 10 GBEE COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1301447612 CQLCBJRKSHOXIB-AHIWAGSCSA-N 378.433 -0.255 30 10 GBEE CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1323517046 BYYZFZDEMHVDCU-UHFFFAOYSA-N 392.485 -0.222 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@@]12CCCO2)[C@@H]1CCS(=O)(=O)C1 1323808759 SBBQVSBRTZKPIN-ZXFNITATSA-N 398.481 -0.522 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCS(=O)(=O)NC)C[C@H]21 1341190657 SLSFYWZOPAXABJ-YJNKXOJESA-N 385.486 -0.424 30 10 GBEE C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 1522252890 UAMLVJOMWPPPKV-OAGGEKHMSA-N 378.473 -0.351 30 10 GBEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1524296693 OLHVYSBSQLBRMG-KGLIPLIRSA-N 389.460 -0.996 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1588646600 LGTKQOQSDILITE-CQSZACIVSA-N 397.501 -0.256 30 10 GBEE C#CC[C@]1(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CCCN1C(=O)OC(C)(C)C 1641443582 DMDHDKXEANHGNR-WTOJCKNJSA-N 392.456 -0.175 30 10 GBEE N#Cc1cccc(CNC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c1 1643699690 KBEPPHDNRYSHQI-UHFFFAOYSA-N 390.421 -0.326 30 10 GBEE CNC(=O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 1644839457 ZOKSWXIKTJABEQ-UHFFFAOYSA-N 380.426 -0.752 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)OC)C2)CC1 1683474188 QGICXXPFEZZNHE-WWGRRREGSA-N 384.458 -0.877 30 10 GBEE N#C[C@]12CN(C(=O)NCC[S@@](=O)CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1683792591 JXIJHHRPIJSUOR-FPLLVSKKSA-N 387.405 -0.123 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1705597186 YDGPVVXCEPGJFL-HNNXBMFYSA-N 384.440 -0.449 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1705611954 UMGXXFHQASOEAB-BLLLJJGKSA-N 381.458 -0.762 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cc[nH]n1 1722371335 VXJCRUVXUWMOOO-UHFFFAOYSA-N 382.428 -0.358 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1736790768 WZMHWQDTKBTNBJ-MELADBBJSA-N 382.461 -0.466 30 10 GBEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740946551 YVBPHGCBSGMGFG-CYBMUJFWSA-N 389.460 -0.412 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cnn(C)n2)CC1 1760252163 MNHLFCKNVLEXRA-UHFFFAOYSA-N 399.503 -0.067 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CN)CO 2255744265 JNQGRXLIQNSTRX-JTQLQIEISA-N 376.309 -0.046 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N=[S@@](C)(=O)CCN 2267377715 GSSFMGLXUSVXCX-DEOSSOPVSA-N 392.312 -0.536 30 10 GBEE Cc1cnc(C(=O)N2CC(S(N)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2281955611 NHJLFSRNHULDKC-UHFFFAOYSA-N 381.263 -0.198 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)[nH]n2)OC1(C)C 2281985282 ISNUCABIYQQDCQ-SNVBAGLBSA-N 384.267 -0.527 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]3(CO)CCNC3)cc2)OC1(C)C 2282353663 WWQHXQPKYYDGTD-KRWDZBQOSA-N 382.291 -0.012 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H](CO)[C@@H](F)C2)n1 2282489063 FKZLZRGWUXFECU-JQWIXIFHSA-N 389.258 -0.330 30 10 GBEE C[C@H](CCS(C)(=O)=O)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282620007 ZAIMVZLTAVTLCH-SNVBAGLBSA-N 386.283 -0.333 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)n1 2282625502 WFIKLXSSLUQLKL-MGCOHNPYSA-N 384.267 -0.580 30 10 GBEE Cc1nc(S(=O)(=O)N[C@@]23CNC[C@@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843279 LAIXTFWULLVXNZ-ZBEGNZNMSA-N 382.295 -0.332 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC([C@H](O)CO)C3)c2)OC1(C)C 2361912439 YTOMYOUQKRTEBY-OAHLLOKOSA-N 383.275 -0.041 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NS(C)(=O)=O)C1 2362346347 QRFRRVRVCVTIJS-UHFFFAOYSA-N 384.267 -0.907 30 10 GBEE Cc1scc(C(=O)N2C[C@H](O)[C@H](O)[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2369544318 YHLCLGFJUSOYSV-SGMGOOAPSA-N 383.275 -0.106 30 10 GBEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 409989725 XSHRHCOUQHZQDL-CHWSQXEVSA-N 384.462 -0.390 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)CC1 459882631 GOGQZYWDWCNEGL-IRXDYDNUSA-N 391.516 -0.625 30 10 GBEE COC1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C1 594631942 RCAFEYYDFPRBGP-UHFFFAOYSA-N 384.439 -0.256 30 10 GBEE C#C[C@@H]1COCCN1CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 839198212 XSUTVSJPFJKWLV-KUHUBIRLSA-N 386.408 -0.173 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)CC1 896725924 JDUMVWYNHFPQDT-HOTGVXAUSA-N 384.502 -0.014 30 10 GBEE C=C1[C@@H](C(=O)N[C@@H]2CCN(CCOC)C2)[C@H]1C(=O)N[C@@H]1CCN(CCOC)C1 900622029 AJIJILCTSBVMJF-TVFCKZIOSA-N 394.516 -0.538 30 10 GBEE C=C1[C@@H](C(=O)NCCN2CCCOCC2)[C@@H]1C(=O)NCCN1CCCOCC1 907613693 RZCDHOOQGZFGBS-QZTJIDSGSA-N 394.516 -0.534 30 10 GBEE C=C1[C@@H](C(=O)N(C)[C@H]2CCC(=O)N(C)C2)[C@H]1C(=O)N(C)[C@@H]1CCC(=O)N(C)C1 908369317 AFMUOBLCTUQARO-PURYLZLUSA-N 390.484 -0.053 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1OC 941975395 LQKDTDPJOONPQS-JLNYLFASSA-N 379.417 -0.693 30 10 GBEE CS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1135775549 BSWFPIMTBXYAOG-UHFFFAOYSA-N 389.430 -0.160 30 10 GBEE CSCC1(CCNC(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1328848042 KYRVMHZVZIIOLO-UHFFFAOYSA-N 391.453 -0.147 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1356279281 WMRIMKFENWFEAU-BLLLJJGKSA-N 378.458 -0.143 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1357445364 WYSFZPIELBCZKB-DEPYFDJDSA-N 394.472 -0.733 30 10 GBEE C#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1570227803 RKMDHGYKURQKFG-GFCCVEGCSA-N 386.451 -0.771 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN1CCNC(=O)C1 1573240866 OORCFMGKWDZBNF-TWMKSMIVSA-N 392.500 -0.247 30 10 GBEE COC(=O)C1(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCCC1 1620611039 JJFJOTUJCDRBPI-BBRMVZONSA-N 383.470 -0.151 30 10 GBEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C1CC1 1690059672 VKGJJCYVNKKZCM-LBPRGKRZSA-N 382.490 -0.126 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1757745318 SMRUVHSHDYXARZ-XGUBFFRZSA-N 377.445 -0.189 30 10 GBEE Cc1nc([C@@H](C#N)C(=O)CN2CCN(CCO)CC2)sc1C(=O)N(C)C 1872797898 YGOCXIAQHICSCU-ZDUSSCGKSA-N 379.486 -0.061 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)OC1(C)C 2282028265 BMOCQTUQJDUXAB-MEDUHNTESA-N 384.263 -0.628 30 10 GBEE Cn1cc(C(=O)N2CC(CS(N)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282057385 GEIJUZQLHYSMEZ-UHFFFAOYSA-N 384.267 -0.920 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H]2CNCC[C@@H]2O)OC1(C)C 2282417522 IORFOBFIOASQOT-KGLIPLIRSA-N 382.291 -0.013 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCOC[C@@H](O)C2)n1 2282494676 AVYLBXPJZVVLCJ-NSHDSACASA-N 387.267 -0.899 30 10 GBEE C[C@@H]1CNC[C@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505072 YGYWCLOTSKVBGQ-NEPJUHHUSA-N 384.311 -0.147 30 10 GBEE CC(C)[C@](C)(O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282836562 LSZXOPAGLIETCU-OAHLLOKOSA-N 388.299 -0.200 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)C(C)(C)C1 2282841046 LMSFXTSLYAJWTF-SNVBAGLBSA-N 386.283 -0.494 30 10 GBEE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856295 QHLOOHSAQKSYDK-GHMZBOCLSA-N 387.267 -0.589 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]2CO[C@H]1C2 2286259232 NHPZSEJTBZFUIN-MXWKQRLJSA-N 384.267 -0.430 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2NC[C@@H](O)[C@H]2O)s1 2359266852 ZEJHBGYQXAOFDS-UPJWGTAASA-N 382.291 -0.221 30 10 GBEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CC#N)CC2)cc1 294425389 GQSIFHBWESBABR-ZDUSSCGKSA-N 394.453 -0.054 30 10 GBEE CNS(=O)(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 448849094 SPOULENOCGVQLY-GFCCVEGCSA-N 383.455 -0.548 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(=O)OCC)c2cccnc2)C1=O 514702900 FAXKXBUJUKSQQK-GOSISDBHSA-N 388.380 -0.047 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 514820942 VFSZMZOGDGVMRF-UHFFFAOYSA-N 386.437 -0.025 30 10 GBEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C#N)CO)cc1 597736561 CNEVCDJGDRMXHH-LZWOXQAQSA-N 381.454 -0.065 30 10 GBEE CS(=O)(=O)N1CCN(CCNC(=O)NCCOc2ccc(C#N)cc2)CC1 610350237 WYGPFNGTZMCRQH-UHFFFAOYSA-N 395.485 -0.187 30 10 GBEE Cn1nnnc1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 772877687 SCYBUZWYIMXCSM-UHFFFAOYSA-N 377.430 -0.612 30 10 GBEE C#C[C@H](NC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 809314211 ZRXGKOHQBBJJCJ-HOTGVXAUSA-N 390.415 -0.030 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCCN1CCO 833565837 MNGNUKVGRJIKBE-ZDUSSCGKSA-N 380.470 -0.312 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 850682216 OPIXADUBPXEMNP-QZTJIDSGSA-N 386.452 -0.017 30 10 GBEE C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 875576384 WMNGVPPTZYYELS-ROUUACIJSA-N 388.468 -0.057 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C1CCN(C)CC1 1119869609 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391.476 -0.700 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C)c1nnc2ccccn12)[C@H]1CCS(=O)(=O)C1 1321798076 PSFQRCXIMXNWSJ-OLZOCXBDSA-N 389.437 -0.445 30 10 GBEE C[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)n1cnc(C#N)n1 1325130038 MAFMUGQRXSTCJU-NSHDSACASA-N 379.402 -0.627 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 1325829338 QWDMYRARZXDKTD-AWEZNQCLSA-N 397.501 -0.469 30 10 GBEE C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)c2ncnn21 1327613067 IUTXQQNKKZGKCH-TUAOUCFPSA-N 390.491 -0.233 30 10 GBEE CCSC1(CNC(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1335057307 CBFMDWKAXJOPIP-UHFFFAOYSA-N 377.426 -0.394 30 10 GBEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@@]2(CCOC2)C1 1342047260 TYLCASUDHVUJLF-SFHVURJKSA-N 388.428 -0.476 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@@H]1CCCCO1 1345583232 RGOBSBKHVXJCJU-HNNXBMFYSA-N 396.451 -0.016 30 10 GBEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@@](C)(COC)C1 1355907863 NKSKGDRJEPMRLR-GOSISDBHSA-N 390.444 -0.230 30 10 GBEE 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C=C[C@]1(CO)COCCN1C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2199849648 VJVFFQYJKCJHNZ-KKXDTOCCSA-N 386.445 -0.505 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]12CCNC[C@@H]1C2 2282339278 SYSBJGWLDKUOHA-ZBEGNZNMSA-N 382.295 -0.250 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC(=O)N1 2282513340 ZNCITLOUNLWCCD-JTQLQIEISA-N 384.267 -0.772 30 10 GBEE CCCS(=O)(=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282680444 OBDSEVSKXZCCLC-UHFFFAOYSA-N 386.283 -0.331 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@@](O)(CO)C3)c2)OC1(C)C 2282829123 ZZANYSCISUUWNT-INIZCTEOSA-N 384.263 -0.501 30 10 GBEE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854141 NXKYVYSTHIBEPS-NEPJUHHUSA-N 387.267 -0.901 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(C(N)=O)C1 2282856559 USNQGZUGUCSQDI-UHFFFAOYSA-N 384.267 -0.739 30 10 GBEE Cc1nc(S(=O)(=O)N[C@@H]2C[C@@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284403882 UGEBPRZLUGRQEC-VHSXEESVSA-N 385.251 -0.221 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@]1(C)C(=O)O 2284414903 USDHXDKREBCXER-OAHLLOKOSA-N 385.251 -0.043 30 10 GBEE CN(NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2339737162 KDZLELWDLHWWPB-UHFFFAOYSA-N 391.280 -0.535 30 10 GBEE COC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349468762 JRLRIKRRCCVBAX-NSHDSACASA-N 387.439 -0.328 30 10 GBEE C=CCCCN(C)C(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 459887111 PJIPNCHCHHENEF-UHFFFAOYSA-N 377.445 0.490 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@H](CC(N)=O)C3)CC2)cc1 599386553 OHADJNNXFSGWAB-QGZVFWFLSA-N 399.451 -0.695 30 10 GBEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 611887959 XJTRBKXNNBETJX-QKGCVVFFSA-N 386.470 -0.646 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC3(CCCC3)OC[C@H]2C)CC1 658883745 WPHHEZVHKXQJIK-MRXNPFEDSA-N 392.500 -0.007 30 10 GBEE C[C@@H](CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 848306398 RKMLIHZDNRTEOX-MELADBBJSA-N 392.481 -0.219 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 850833512 UDDMVZBSDZKTMW-CQSZACIVSA-N 377.463 -0.491 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cn(C)nc2C(C)(C)C)CC1 866733050 ZKJIGCKKHNJYGG-UHFFFAOYSA-N 381.502 -0.227 30 10 GBEE C=CCN(C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)[C@@H]1CCS(=O)(=O)C1 1125883704 IWVFZKSWHPKFTN-CYBMUJFWSA-N 387.502 -0.002 30 10 GBEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)CC1 1261311877 CDYQKPIFFSGEAO-OKILXGFUSA-N 388.399 -0.028 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1290995561 HFEHBBNLBXYICG-SYQHCUMBSA-N 393.488 -0.418 30 10 GBEE Cn1cc(N2C[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCC2=O)cn1 1293033395 XSSUWQPHHYEHHI-FRTIYWTKSA-N 386.412 -0.194 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)c1 1302348889 BESLWBUIIAYSGB-IAGOWNOFSA-N 389.433 -0.183 30 10 GBEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1306199625 DGBLUTPVKHJXJS-AWEZNQCLSA-N 381.506 -0.044 30 10 GBEE N#Cc1cccc2c1CN(C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)C2 1326635125 ZNIZZOWGETYSNM-UHFFFAOYSA-N 392.437 -0.821 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1327378866 KWTFQTHNYCTPIT-HNNXBMFYSA-N 388.449 -0.358 30 10 GBEE CN1C(=O)NC2(CCN(C(=O)C(=O)N3Cc4ccc(C#N)cc4C3)CC2)C1=O 1327706828 JLOLEZJVLYCLMW-UHFFFAOYSA-N 381.392 -0.057 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 1350833368 IUYKVWMVVHKOCC-HUUCEWRRSA-N 382.486 -0.036 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1456731376 ONCGVFCHQZOXQV-DLOXAQCQSA-N 385.486 -0.215 30 10 GBEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnn(C)n1 1507606353 JKTODAXNKYAEQU-UHFFFAOYSA-N 386.441 -0.010 30 10 GBEE CCOC(=O)N1CSC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806509 RJRSFRQMTHSQPE-NSHDSACASA-N 379.398 -0.265 30 10 GBEE CC(=O)N1CCN(C(=O)CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1565637145 TZHYFWIYZORAFL-ISLYRVAYSA-N 391.428 -0.900 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCC(=O)NCC 1574314736 MSIPIPUDDQZTJY-ILXRZTDVSA-N 376.457 -0.320 30 10 GBEE NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1626353922 IOAUXDFMQMPTFL-UFOSLELVSA-N 389.456 -0.156 30 10 GBEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 1641041304 VZAMNFMVJODFDB-UHFFFAOYSA-N 391.449 -0.593 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1686021237 WGNWPSQKTKCYSC-AGIUHOORSA-N 376.417 -0.782 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690658924 DRKIFCAWWFVQBT-BETUJISGSA-N 399.411 -0.211 30 10 GBEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1690723177 KIFOEMIGMHSCPD-ZDUSSCGKSA-N 383.474 -0.293 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1736587370 FANDNQBGMYBLTR-MCIONIFRSA-N 378.429 -0.231 30 10 GBEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC 1740900716 WZIDSTYVIBOIRF-LBPRGKRZSA-N 386.478 -0.631 30 10 GBEE COCCn1c(C(=O)N2CCO[C@H](C#N)C2)cc2c(=O)n(C)c(=O)n(C)c21 1850349375 MQZBSRQKAMSKDY-LLVKDONJSA-N 375.385 -0.950 30 10 GBEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C(=O)C2)C1 1853632926 PMHWXTNJYGSLMK-LSDHHAIUSA-N 384.502 -0.659 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714395 URCMLPGBGGACOP-NAKRPEOUSA-N 392.474 -0.005 30 10 GBEE C#CCNC(=O)[C@@H](C)S(=O)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2074763526 XLEVIJGCWFJNBF-GHMZBOCLSA-N 376.431 -0.093 30 10 GBEE C#CC[C@H](CO)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249440156 UPQATSNYLBUWIM-HUUCEWRRSA-N 398.437 -0.242 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CC(CS(N)(=O)=O)C2)OC1(C)C 2267173957 QGPUJNUMGOHLNO-UHFFFAOYSA-N 387.292 -0.197 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC(=O)NC3=O)c2)OC1(C)C 2267366146 BOQRMDWIGRREOS-VIFPVBQESA-N 386.260 -0.259 30 10 GBEE CO[C@H]1CC(=O)N(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282328529 YXINFPSWLLQQFF-VIFPVBQESA-N 386.239 -0.950 30 10 GBEE COC(=O)CCN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282506807 XUNIYJAIRUIMMX-UHFFFAOYSA-N 387.267 -0.097 30 10 GBEE CC(C)[C@H](O)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282836223 HJHJYIORYMCWBM-LLVKDONJSA-N 388.299 -0.200 30 10 GBEE CCC[C@H](O)CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282839849 BFTZJFQSFKNOGH-NSHDSACASA-N 388.299 -0.056 30 10 GBEE CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282851129 XYXBADOUDMLWFS-RYUDHWBXSA-N 382.295 -0.204 30 10 GBEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)C=CC(=O)O)N1C(=O)c2ccccc2C1=O 2328155821 JHGXYAJHBBFLFQ-BYCMXARLSA-N 399.403 -0.025 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N2C[C@@H](O)[C@@H](O)[C@H]2C(=O)O)OC1(C)C 2359401844 GFIVNBYEVSAOSS-OUAUKWLOSA-N 383.231 -0.322 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@H](CCC(N)=O)C(=O)O)OC1(C)C 2362499370 SIZMHMMCGVNPCK-SECBINFHSA-N 383.235 -0.109 30 10 GBEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H](O)C[C@@H]2CO)CC1 185140836 RCQNCNCZCVDKIV-KZNAEPCWSA-N 376.432 -0.038 30 10 GBEE CCCN(C(=O)[C@H](C)N1CCN(C(=O)CC#N)CC1)[C@H]1CCS(=O)(=O)C1 563361192 DJUGINRGIFXPBE-GJZGRUSLSA-N 384.502 -0.142 30 10 GBEE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 572014963 DXMALXOMPOPLBM-NSHDSACASA-N 386.455 -0.660 30 10 GBEE COCCNC(=O)Cn1cc(NC(=O)C(=O)N2Cc3cccc(C#N)c3C2)cn1 593724620 DCSXRZCMONCRAV-UHFFFAOYSA-N 396.407 -0.002 30 10 GBEE CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2O1 732707323 XRLLXIRYUKAKEZ-RHSMWYFYSA-N 397.435 -0.275 30 10 GBEE C=C1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)OC 908349384 RYFWTTSJAVBATJ-LMBVDLPISA-N 388.420 -0.457 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H](O)[C@H](O)C3)CC2)cc1 1155983248 CJCMNPUVZOEVKT-ACHSLPGTSA-N 393.465 -0.041 30 10 GBEE C#CC[C@@H](NC(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2)c1ccccc1 1261950444 DHOAIKCSGXBSKW-UZLBHIALSA-N 385.420 -0.389 30 10 GBEE C#CCN(C(=O)C(=O)NCC1(CS(C)(=O)=O)CCC1)C1CCN(C)CC1 1262289421 CTMWKKVTPCVIAO-UHFFFAOYSA-N 383.514 -0.127 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC(=O)NC 1282641652 JLWLDXYHLDYSCD-AGIUHOORSA-N 379.461 -0.366 30 10 GBEE C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CCC[C@H]12 1284060022 YXCDEXGLSBEKIP-ZMHQTACCSA-N 375.469 -0.100 30 10 GBEE CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(C(=O)CC#N)CC2)cc1 1326757397 OLANCGYWZAPHQP-UHFFFAOYSA-N 389.441 -0.376 30 10 GBEE C#CCN(C(=O)C(=O)N1CCn2nc(C3CC3)cc2C1)[C@H]1CCS(=O)(=O)C1 1336301305 JPDOBPZKCJVEHQ-AWEZNQCLSA-N 390.465 -0.248 30 10 GBEE C#CC[C@H](COC)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1454351916 AMLPGACDGPCHTH-GFCCVEGCSA-N 388.467 -0.477 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CS(C)(=O)=O)COC2)c1 1469535991 WDEFIROFMUZJMH-UHFFFAOYSA-N 386.451 -0.859 30 10 GBEE Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1Cc3ccc(C#N)cc3C1)c(=O)n2C 1536352964 QTOOACAVFPCKIR-AWEZNQCLSA-N 378.392 -0.411 30 10 GBEE C#CCN1CCC[C@@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 1558328605 BUYNGKBSCWMEOC-KDOFPFPSSA-N 376.457 -0.184 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc2ncccn2n1 1574342920 UBPNHMBVQMGMBY-IPYPFGDCSA-N 380.408 -0.270 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(OC)(c3cnnn3C)C2)cc1 1637209213 ZNMINGHLGHUGKM-UHFFFAOYSA-N 389.437 -0.276 30 10 GBEE C=CCn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1705043203 NUWVWDIHBIJIMK-WVVIMVBOSA-N 375.429 -0.082 30 10 GBEE C#CCNC(=O)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1719397452 CEELCIIRIJJSHT-YRBFXIGRSA-N 377.441 -0.763 30 10 GBEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1740380956 CHAYHZJGQDLLNZ-NGFQHRJXSA-N 375.429 -0.823 30 10 GBEE CC1(C)OB(c2cnc(NS(=O)(=O)CCS(C)(=O)=O)nc2)OC1(C)C 2102374613 XMVDGTOLFCLTRP-UHFFFAOYSA-N 391.280 -0.438 30 10 GBEE CC(C)(C#N)CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118170104 KZNXKVRCBXBNFJ-RKDXNWHRSA-N 384.380 -0.280 30 10 GBEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267715631 ABPOTXQMMHHNAG-ZZDSUILFSA-N 391.324 -0.235 30 10 GBEE 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10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CC1 1345560064 ZPKGDZAAXMGBAZ-OAHLLOKOSA-N 379.457 -0.541 30 10 GBEE C#CCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 1471938563 QPQBLTWDABGMDF-CYBMUJFWSA-N 392.481 -0.334 30 10 GBEE C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CS(=O)(=O)NC)nc1 1574247803 JJSQMDFYJMYDAH-SNPRPXQTSA-N 376.438 -0.526 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cc[nH]n1 1588224161 RFPJBXVWNGKBKK-AWEZNQCLSA-N 394.439 -0.155 30 10 GBEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1633175405 BYJQYDHEJAFXCL-AWEZNQCLSA-N 381.454 -0.136 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1705897997 YOFSMTFCPOPBNH-RYUDHWBXSA-N 383.478 -0.071 30 10 GBEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1722422967 VYFRVNSINHSGTO-LBPRGKRZSA-N 396.477 -0.849 30 10 GBEE Cn1c(C(=O)N2CCC[C@@H](N3CCC(CC#N)CC3)C2=O)cc(=O)n(C)c1=O 1856519448 DFNSFERLDRNZRC-CQSZACIVSA-N 387.440 -0.159 30 10 GBEE 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C=CCNC(=O)Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740961202 OQJWRODDWZLZJV-CQSZACIVSA-N 389.504 -0.068 30 10 GBEE N#Cc1ccc(N2CCN([C@H]3CCN(C(=O)Cn4cnnn4)C3=O)CC2)cc1 1857452614 ZEEOUFXJEUKOTO-INIZCTEOSA-N 380.412 -0.506 30 10 GBEE CCN([C@H]1CCOC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282312594 YQAAQNHFWWJHDO-NSHDSACASA-N 386.283 -0.086 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(S(C)(=O)=O)CC2)n1 2282616060 WHBZPVXAUPMLDD-UHFFFAOYSA-N 384.267 -0.579 30 10 GBEE CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857560 JVVIPTNFBXTXBD-GHMZBOCLSA-N 387.267 -0.901 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N3C[C@@H](O)[C@H](CO)C3)c2)OC1(C)C 2282860832 GYDNHYVXEIWPQD-SWLSCSKDSA-N 383.275 -0.041 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H](C1)[C@H]2O 2286195088 KSGRJBMLKQERBA-GNXNZQSNSA-N 383.279 -0.279 30 10 GBEE CC1(C)OB(c2nscc2C(=O)NCCn2cc(CN)nn2)OC1(C)C 2287194504 LOQTXKOMZUEFAO-UHFFFAOYSA-N 378.267 -0.078 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 2311672524 DGYDEBUGZNMXCA-KYXWUPHJSA-N 378.447 -0.395 30 10 GBEE CC(C)(C)OC(=O)N1CCOC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342063040 FCYPVDLAMNDDPE-DYVFJYSZSA-N 388.486 -0.107 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)nc1 292231691 AZDJGTGGIXYRPX-HNNXBMFYSA-N 396.451 -0.081 30 10 GBEE CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2nncc2C1 349466121 FOCYIFGUIVKRSY-UHFFFAOYSA-N 396.454 -0.373 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 349610218 QIPUASVKYQQSGR-AVGWVYAKSA-N 383.517 -0.867 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCN1C1CC1 360435434 FSABYENKCDUFRF-HNNXBMFYSA-N 398.510 -0.033 30 10 GBEE N#CCCn1ccc(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1 427685855 BVFTXYFBBPKCBS-LKXLURSHSA-N 381.436 0.360 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCOC[C@H](O)C2)c1 516583508 DCJYJAXIFFSOBJ-GFCCVEGCSA-N 389.455 -0.788 30 10 GBEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 530672299 VYGXETGDGBCCKJ-UHFFFAOYSA-N 378.454 -0.178 30 10 GBEE Cn1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 558094775 OLOKCQORCBYPHY-INIZCTEOSA-N 380.408 -0.175 30 10 GBEE CN(C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 582244493 CXVPZXVYMJSCOO-HNNXBMFYSA-N 375.414 -0.329 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CN(C)C(=O)[C@@H]2C)c1 594630120 HOWXOTSXESBDPL-QWRGUYRKSA-N 386.455 -0.314 30 10 GBEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CCCN1 662500574 OIUVAJVAXNRJDO-KRWDZBQOSA-N 385.534 -0.679 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 728589585 IMLHHJIVBZJCBK-UHFFFAOYSA-N 399.494 -0.854 30 10 GBEE Cn1c(=O)c2c(ncn2CCOC(=O)[C@H](O)c2ccc(C#N)cc2)n(C)c1=O 780208117 ZRHZJFIXSVLXLN-CQSZACIVSA-N 383.364 -0.418 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)CCCCCCS(N)(=O)=O)CC1 826549426 HPLRAKMUSNWCAL-UHFFFAOYSA-N 386.518 -0.491 30 10 GBEE C#CCN(C(=O)[C@H]1CN(C)CCO1)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 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1322766219 RWMYUIGVFHHWFN-UHFFFAOYSA-N 389.412 -0.477 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1325495172 RLXQKWXADWBSRC-MRXNPFEDSA-N 376.457 -0.996 30 10 GBEE C#CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OC 1451183891 XLWQQQGXFRBFDN-STQMWFEESA-N 379.800 -0.005 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H]2CCO[C@H](C)C2)CC1 1464368952 OAOWGZNSLZKOCE-ZIAGYGMSSA-N 379.504 -0.784 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1507615997 DLDOLKUWHNECMQ-CQSZACIVSA-N 397.501 -0.015 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)N2CCOCC2)CCO1 1521136946 KGLIEWUQQSCVCP-UONOGXRCSA-N 376.417 -0.283 30 10 GBEE CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1558510892 GMNSQHVAVHWBES-PKWAYOAASA-N 383.426 -0.130 30 10 GBEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705530828 WHNJVIKGRUETDG-ZDUSSCGKSA-N 380.412 -0.705 30 10 GBEE C#CCN(CCOC)c1nnc(COCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705630788 GWFZQIAFYRZTKN-INIZCTEOSA-N 386.474 -0.550 30 10 GBEE CCCS(=O)(=O)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2269039413 SYWFTVDQYOASCX-UHFFFAOYSA-N 393.296 -0.263 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCO[C@H](C#N)C1 2282351487 BDWMRQCGVNWGBQ-LLVKDONJSA-N 382.251 -0.368 30 10 GBEE CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354897 XIBVVAWVHUDCHB-ZIAGYGMSSA-N 384.263 -0.239 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCCCCN 2282868129 JFIQRNJDLHEGIX-UHFFFAOYSA-N 387.315 -0.088 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@H](F)C(=O)O 2284413534 LNYZQOWDTMHQRZ-JTQLQIEISA-N 391.230 -0.190 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@]3(C)CCNC3=O)c2)OC1(C)C 2288924995 VSFWUHUPXUPJQU-MRXNPFEDSA-N 381.263 -0.062 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCS(=O)(=O)C2CC2)n1 2290143356 XQAGDKBRSGKATA-UHFFFAOYSA-N 384.267 -0.579 30 10 GBEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CS(=O)(=O)[C@H]4C3)nc2)OC1(C)C 2361655894 ZCZMTZWMARHJRS-JQWIXIFHSA-N 379.247 -0.355 30 10 GBEE CN(C)S(=O)(=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362456796 JAVKKDHPPNZPEJ-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1ncco1 2364122866 BVKZTJYZAJYVIK-UHFFFAOYSA-N 383.239 -0.377 30 10 GBEE CC1(C)OB(c2cnc(N3CCC[C@@H]3CNC(=O)[C@@H](O)CO)nc2)OC1(C)C 215695460 PFLQLAIFSYRJDS-KGLIPLIRSA-N 392.265 -0.786 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C1 349586299 DXBLDFAYZXOUBB-KBPBESRZSA-N 395.503 -0.893 30 10 GBEE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 414571948 AXFNDURZWHSAIZ-CGTJXYLNSA-N 386.452 -0.169 30 10 GBEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(CC(N)=O)C(=O)C3)C2=O)cc1 458639617 UVAXDGUFLLTTKM-OAHLLOKOSA-N 398.423 -0.607 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)n1 588107823 FOLUKAOVNVCNNB-OAHLLOKOSA-N 387.440 -0.229 30 10 GBEE C[C@H](C#N)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N=c2nc[nH]n2C)c1 594634256 KMSWZXNGRJVRGE-LLVKDONJSA-N 398.470 -0.182 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCO[C@@H](CCF)C3)CC2)c1C#N 599473948 CLZKZYOVKCORME-AWEZNQCLSA-N 392.435 -0.164 30 10 GBEE CS(=O)(=O)NC[C@H]1COCCN1CCS(=O)(=O)c1ccc(C#N)cc1 599666358 NGISTJPNHXDLLB-AWEZNQCLSA-N 387.483 -0.418 30 10 GBEE COCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 732494455 HINNILSIFKPIPX-RDJZCZTQSA-N 398.419 -0.066 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)c1 848953442 HIKFNQLPYRVJLU-CJNGLKHVSA-N 397.478 -0.165 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC2(COC2)C1 852902114 JQYKXCDUIMVRHI-UHFFFAOYSA-N 375.472 -0.783 30 10 GBEE C=CC(C)(C)CCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 875107754 AOPXJPZPCZOEEO-UHFFFAOYSA-N 388.534 -0.212 30 10 GBEE C#CCN1CCN(C(=O)CN(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 879082327 CAMNZYTYDXBCDI-INIZCTEOSA-N 382.505 -0.077 30 10 GBEE C#CCN(CC(=O)NN1CCC[C@@H](OC)C1)CC(=O)NN1CCC[C@@H](OC)C1 928421685 NAESKEGMBVCXCM-IAGOWNOFSA-N 395.504 -0.794 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3)C[C@@H]12 1118654078 GDMYSOZTXJUCGW-ZNMIVQPWSA-N 377.422 -0.555 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1 1118868863 SPEUNSRBVMPZMG-HNNXBMFYSA-N 396.455 -0.126 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)CC1 1157010217 YDMUSDIIBOAIHT-UHFFFAOYSA-N 375.429 -0.128 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCO[C@@H](CNC(=O)NC)C2)n1 1261803555 KDJNDKGLYJPREY-HNNXBMFYSA-N 390.444 -0.979 30 10 GBEE Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)c(O)nc1=O 1282730812 JZUBRDFEEWEHGM-JLLWLGSASA-N 377.426 -0.396 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](F)COC 1286376389 KQROLFKGWPUEJD-CHWSQXEVSA-N 389.453 -0.335 30 10 GBEE N#CCOc1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1326371183 WJSCVBKCCKARSA-KRWDZBQOSA-N 393.421 -0.056 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 1327316585 NAVBCJLOMYFYBK-JKSUJKDBSA-N 399.513 -0.892 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)C1 1327561015 UEGMYCWXYGKGHC-MRXNPFEDSA-N 380.489 -0.103 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC[C@H]2CCSC2)CC1 1334560960 WJCQDILNVZCGIH-ZDUSSCGKSA-N 385.519 -0.594 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)OC)C2)CC1 1335045655 JIYOTMTXGQDCPI-UKRRQHHQSA-N 377.441 -0.368 30 10 GBEE COCCN1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1=O 1349603989 KGDRQWKTPOCRBW-MRXNPFEDSA-N 388.424 -0.633 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)COC2)CC1 1359036244 QZKFDSSEJIQVDB-HNNXBMFYSA-N 393.513 -0.028 30 10 GBEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1S(N)(=O)=O 1456226482 XEPLZSVYWHFCPV-WFASDCNBSA-N 383.451 -0.347 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)C[C@H]2C(C)(C)C)C1=O 1460067152 PIBFRGUDLSMZFS-NSHDSACASA-N 385.442 -0.365 30 10 GBEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(=O)N2)CCO1 1505321228 KOXWXMZWHKAUTO-CHWSQXEVSA-N 396.411 -0.067 30 10 GBEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1539368948 FOHHFMAWZLEDHN-CYBMUJFWSA-N 398.489 -0.841 30 10 GBEE Cc1ccc(C(=O)N(CC(N)=O)CC(N)=O)cc1B1OC(C)(C)C(C)(C)O1 1628064191 KCCATLZRFGHYFI-UHFFFAOYSA-N 375.234 -0.293 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)CN(C)C2=O)CC1 1722441999 VPYADPDHCITWPV-HXUWFJFHSA-N 399.499 -0.366 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn2cccnc12 1736573645 ZLAIBZRFBVLDBC-YUELXQCFSA-N 380.408 -0.270 30 10 GBEE CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O 1739418196 UTPMRTXXNFFTAA-TUVASFSCSA-N 379.457 -0.463 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 1757724869 SZSCYBYBDIXNLO-WCVJEAGWSA-N 376.457 -0.953 30 10 GBEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCS(=O)(=O)CC1 1760558211 JEBMGHVLUOCDEE-UHFFFAOYSA-N 392.503 -0.350 30 10 GBEE Cc1c(S(=O)(=O)NCC#CCN(C(C)C)C(C)C)c(=O)n(C)c(=O)n1C 1890475122 LVINQZLVZYROCR-UHFFFAOYSA-N 384.502 -0.207 30 10 GBEE CCS(=O)(=O)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2269039850 WPNUOHQJEXEQTA-UHFFFAOYSA-N 393.296 -0.344 30 10 GBEE CC[C@@H](C[C@@H](C)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282301743 RJZHIMHGHVYTMK-MNOVXSKESA-N 388.299 -0.058 30 10 GBEE C[C@@H](CS(N)(=O)=O)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282542211 CUGAFFDFCZRYKO-VIFPVBQESA-N 387.242 -0.073 30 10 GBEE Cc1nc(S(=O)(=O)N[C@H]2C[C@@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284403879 UGEBPRZLUGRQEC-UWVGGRQHSA-N 385.251 -0.221 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(CC(=O)O)C1 2284412996 ZTZOTGVXMWJLCF-UHFFFAOYSA-N 386.239 -0.791 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CC#N)CC1 294917177 KPEAKRYRGOYYRN-CYBMUJFWSA-N 389.437 -0.190 30 10 GBEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N(CCO)CCO)n1 429984681 HUHFPHLREYXZBH-UHFFFAOYSA-N 377.788 0.149 30 10 GBEE CCOC(=O)[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC12COC2 453800664 KULSYTSJBPJBIB-ZDUSSCGKSA-N 389.412 0.312 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 540296971 FKOWWWBXAOCUEL-SFHVURJKSA-N 390.532 -0.401 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(COC)cc2)CC1 559737902 ZZEHDDNDMRKWFX-UHFFFAOYSA-N 388.468 -0.104 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 604161362 AHAYDBDIQUERIB-KRWDZBQOSA-N 381.521 -0.027 30 10 GBEE Cn1c(-n2nnnc2SCC(=O)Nc2cccc(C#N)c2)cc(=O)n(C)c1=O 606615540 GWILNDWSLYOZEU-UHFFFAOYSA-N 398.408 -0.338 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)C1=O 626848557 FWYQOAJYQATWRR-KBMXLJTQSA-N 389.456 -0.046 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 727753234 ALGYLCZNOOIBAO-MRXNPFEDSA-N 393.469 -0.837 30 10 GBEE O=C1N=C(NN=C2C(=O)Nc3c(I)cccc32)NC1=O 765592806 VYJGESPHUFBDNR-UHFFFAOYSA-N 383.105 -0.451 30 10 GBEE C#CCOc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)cc1 850673980 QOANEQZFMOBNNB-XHSDSOJGSA-N 392.433 -0.093 30 10 GBEE C#C[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 867339509 LECFZHWOURIZGC-MRVPVSSYSA-N 388.243 -0.088 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2cnn(C)c2)C(C)C)CC1 932770417 KSZXDENXRTXWIQ-KRWDZBQOSA-N 390.488 -0.320 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc3cccnc3[nH]2)CC1 1175514604 AMNWHFYMPVKFHU-UHFFFAOYSA-N 376.442 -0.498 30 10 GBEE CNC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 1261512960 FXDVVESNDFHHBR-NEPJUHHUSA-N 392.437 -0.095 30 10 GBEE C[C@]1(C2CC2)CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1261697542 PHCMSLFNILQMJE-KGUUONHRSA-N 376.413 -0.344 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC(C(=O)NCCCOC)CC2)CC1 1335494366 PDPZVMGFTDNQKJ-UHFFFAOYSA-N 393.484 -0.246 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCN(CCOC)C(=O)C1 1520392629 KVZAMHBAGWGHTE-CYBMUJFWSA-N 394.501 -0.467 30 10 GBEE CN1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)N(C(=O)OC(C)(C)C)CC1=O 1631231187 KQHGIHOBRYQYJE-ZDUSSCGKSA-N 393.444 -0.351 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 1632961409 ZIPBODJVVOFQMX-UHFFFAOYSA-N 392.466 -0.175 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 1663864529 XNISHBHWGNGSGJ-UHFFFAOYSA-N 399.450 -0.869 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C 1686160890 KZYGWBCRAWWYBM-TUVASFSCSA-N 375.429 -0.382 30 10 GBEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 1686341262 GDMVZVVHPZRTGE-ZNMIVQPWSA-N 381.392 -0.427 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1689945918 KXTLHIGJNNGEIK-NEPJUHHUSA-N 389.503 -0.608 30 10 GBEE CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1710899217 BLGHESCNPFQTCK-ZDUSSCGKSA-N 393.473 -0.048 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)NC 1736548839 MNZNFHHMXMGPPQ-KBXIAJHMSA-N 379.461 -0.366 30 10 GBEE C#CCNC(=O)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249438819 NQVBHUGZLYQJBD-CYBMUJFWSA-N 397.409 -0.965 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@](O)(C(=O)O)[C@@H](O)C2)C1 2281238272 YWWYLVRIJMMROV-FQBDVWPJSA-N 382.413 -0.298 30 10 GBEE CN(c1ncccn1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282317451 RJAPOJCWOPFKEL-UHFFFAOYSA-N 380.239 -0.271 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](N)C2(CC2)C1 2282338901 QOZCFKNZFNGACT-LBPRGKRZSA-N 382.295 -0.169 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)CC1(C)C 2282832363 NYMOGMYQQQKTOO-JTQLQIEISA-N 386.283 -0.352 30 10 GBEE C[C@H]1C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1 2282850934 VFNQNPPLMCOOMM-RYUDHWBXSA-N 384.311 -0.004 30 10 GBEE CN1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]2C[C@H]21 2282869170 YLKMDLCRKOCKQZ-GHMZBOCLSA-N 383.283 -0.809 30 10 GBEE C#CCN1CC[C@H](NC(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)C1 2351745869 OKBFUGQKSKTVKT-ZDUSSCGKSA-N 385.486 -0.156 30 10 GBEE C=C1COCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2379824685 OHTPQMOBOOZMMO-UHFFFAOYSA-N 384.267 -0.309 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCN(C)C)CC1 268733294 PASFGOYOIAZGBD-OAHLLOKOSA-N 393.513 -0.069 30 10 GBEE C[C@H](C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)n1cnc(C#N)n1 409457698 VUJYGKRMUVAGAB-GFCCVEGCSA-N 389.441 -0.293 30 10 GBEE COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C 416518630 KYHOKQRMTKCYIY-CQSZACIVSA-N 398.489 -0.029 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 425866522 FWPBKVBWMOQVJS-KBPBESRZSA-N 377.445 -0.405 30 10 GBEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CC[C@H](N4CCOCC4)C3)C2)nc1 460008864 FRBHUYDGIZUMLW-DLBZAZTESA-N 399.451 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2sc(C)nc2C)CC1 507588261 KKNAOAFJKHRKOT-UHFFFAOYSA-N 379.486 -0.177 30 10 GBEE COCCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(C#N)C2)c1 594631267 JUPHJHJVCNBPTM-UHFFFAOYSA-N 398.466 -0.009 30 10 GBEE CN(c1nncs1)S(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1 595966304 XIJMOXOJZJBKHW-UHFFFAOYSA-N 379.489 -0.131 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 761030019 CWUWCEWTDUZJJL-UHFFFAOYSA-N 396.494 -0.583 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 817115085 NTZCRHYOWZMEBH-OWCLPIDISA-N 399.403 -0.610 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3[C@@H]2CCCN3CCO)c1=O 902644263 NUXKIANKAYOZBR-HOTGVXAUSA-N 391.472 -0.968 30 10 GBEE C#CCN(CC(=O)N1CC[C@@](O)(C2CC2)C1)CC(=O)N1CC[C@@](O)(C2CC2)C1 1119045083 UIUGQOYUILYQNQ-SFTDATJTSA-N 389.496 -0.332 30 10 GBEE C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1120329132 ZWPQCCBEIHMVFT-HNNXBMFYSA-N 378.454 -0.438 30 10 GBEE N#C[C@]12CN(C(=O)CNS(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1157885945 XSXZUSJKDYBUDA-SWLSCSKDSA-N 383.451 -0.638 30 10 GBEE COC1(OC)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1O 1162905020 NVKMGHPQZGBUGL-CQSZACIVSA-N 397.453 -0.303 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 1261395417 BVVAQKZUNAMNFG-TZMCWYRMSA-N 379.438 -0.368 30 10 GBEE C#CC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1301218779 AMPAMBMRMRGDQH-UHFFFAOYSA-N 382.438 -0.031 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1328595055 GBHBWQKLGDOQPB-KGLIPLIRSA-N 381.429 -0.401 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)COCc2ocnc2C(=O)OC)CC1 1329222945 LWIQECUCUPXNBL-UHFFFAOYSA-N 392.412 -0.739 30 10 GBEE C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(C)CCC(=O)NC1 1340361754 PCEMGNIRLIPBFU-SFHVURJKSA-N 376.461 -0.073 30 10 GBEE C=C(C)Cn1c([C@@H]2COCCN2C)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1342952496 UEOPKPORTJBEPZ-KKUMJFAQSA-N 376.461 -0.049 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1CCC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1348585756 RWSHFSCZSINTEJ-HUUCEWRRSA-N 382.482 -0.042 30 10 GBEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)C1 1505315411 QGHSZOSEVRXBPZ-OZVIIMIRSA-N 396.448 -0.099 30 10 GBEE Cn1ncc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1517426196 GTHSGAUUEWHKKH-ZIAGYGMSSA-N 385.432 -0.281 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C2COC2)nn1 1539148955 PGROHVKRRBKJTF-LLVKDONJSA-N 394.461 -0.831 30 10 GBEE C[C@@H](C#N)C(=O)N1CCN(CCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1577836896 CKSWQDODKPIWJS-LUKYLMHMSA-N 378.473 -0.152 30 10 GBEE CO[C@@]1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCS(=O)(=O)C1 1685395085 RUFHWFPBYVKSEG-QGZVFWFLSA-N 393.469 -0.011 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1705897996 YOFSMTFCPOPBNH-NWDGAFQWSA-N 383.478 -0.071 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)CC 1748856032 QKWVJBNEIOEZCY-UHFFFAOYSA-N 392.485 -0.587 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1760520958 FTEMMGDYDKTSDG-LBPRGKRZSA-N 377.449 -0.508 30 10 GBEE C#CCNC(=O)CCNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 2188599457 XMXMZZOHNHGRFX-CYBMUJFWSA-N 380.445 -0.290 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCC[C@H]1N 2282309581 HREVUGJQJVLXAK-MNOVXSKESA-N 385.299 -0.338 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CNC[C@H]3O)c(F)c2)OC1(C)C 2282309834 LJHZGBZLEQBXJT-QWHCGFSZSA-N 386.254 -0.264 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2COCC[C@H]21 2282831506 AAYLIWWCUSBFQD-WDEREUQCSA-N 384.267 -0.476 30 10 GBEE CN1CC[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282848031 IBHGLBJDXYMMOQ-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849943 IWPPKRXFIYTLGL-SNVBAGLBSA-N 384.267 -0.772 30 10 GBEE CNCCN(C(C)C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282861083 KBEIQIZONAQATL-UHFFFAOYSA-N 387.315 -0.267 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCCNC3=O)c2)OC1(C)C 2282868928 VDMXSZWHIYBVQG-CYBMUJFWSA-N 381.263 -0.062 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H]1C(=O)O 2284405269 INPPJHVZWXIALU-KOLCDFICSA-N 385.251 -0.187 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CCN1Cc1ccccc1 410594549 VTLWYOKYNHUOTA-MOPGFXCFSA-N 397.479 -0.234 30 10 GBEE CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 429187859 KRXXTVNEVFOBJD-UHFFFAOYSA-N 395.489 -0.383 30 10 GBEE CC(C)CN(C(=O)CN(CC#N)S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 567402393 KTACTTAOMSXDBU-CYBMUJFWSA-N 394.519 -0.710 30 10 GBEE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 582014546 WCRZJPBDYGPEGU-UONOGXRCSA-N 389.455 -0.477 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C(=O)OCC 725825481 CMKGJPRPKYMVCD-STQMWFEESA-N 378.472 -0.619 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 806597558 IYTODUVPPYLZCI-UHFFFAOYSA-N 393.875 -0.160 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@]23CCOC3=O)c1 848954338 DIIIEGMJPFDGJO-HNNXBMFYSA-N 399.450 -0.041 30 10 GBEE C#CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CC1 848955236 YLAWFYUGEIQBMU-UHFFFAOYSA-N 396.494 -0.230 30 10 GBEE C#CCOc1ccccc1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 862150379 PCIVFWVECJSAKO-UHFFFAOYSA-N 380.426 -0.756 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)Cc2c(Br)cnn2C)CC1 878718671 JSKCRGKWMIPZDI-UHFFFAOYSA-N 382.262 -0.381 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 1118048099 QNFAWPPEYCGJNF-KRWDZBQOSA-N 394.516 -0.297 30 10 GBEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)c1 1185654356 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C#C[C@]1(O)CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282833272 WKXPPMBPCMLHDV-INIZCTEOSA-N 381.263 -0.522 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CC3(CNC(=O)CO3)C2)OC1(C)C 2289807274 IDTHRDPUPSIQJF-UHFFFAOYSA-N 379.247 -0.217 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H]1[C@@H]2CO 2359283154 MVDNKZNGYOJEJB-TUAOUCFPSA-N 383.279 -0.279 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 410498590 PAZVWHPLXOOGDR-INIZCTEOSA-N 377.489 -0.872 30 10 GBEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 539162090 SZSGPTZUKFRPJC-LLVKDONJSA-N 382.446 -0.402 30 10 GBEE N#Cc1ccc(OC2CCN(C(=O)C(=O)NCC(=O)N3CCNCC3)CC2)cc1 561267075 BQOUAXOEFUWVSF-UHFFFAOYSA-N 399.451 -0.524 30 10 GBEE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CCO1 600015148 DZNCMNBXZHJEMK-GFCCVEGCSA-N 375.385 -0.338 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)NC(=O)COC(C)(C)C)CC1 845432704 NBQOLAMJQMCRQB-UHFFFAOYSA-N 380.489 -0.410 30 10 GBEE 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391.833 -0.524 30 10 GBEE COc1cc(C#N)ccc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1539425594 XGINDYPELNWKKA-UHFFFAOYSA-N 386.408 -0.290 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](C)CCN1CCN(C)CC1)c1cc[nH]n1 1634535603 KPWXLCDJXOGKGT-CQSZACIVSA-N 394.476 -0.164 30 10 GBEE COC(=O)[C@@](C)(CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1638857707 RLKYUTLEUXHBDU-MRXNPFEDSA-N 383.426 -0.455 30 10 GBEE N#Cc1cn(C2CN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C2)c(=O)nc1O 1648028997 UYQKGNYDJGPFJP-UHFFFAOYSA-N 393.425 -0.838 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 1659298204 QCDYEUCOIAMIIO-HNNXBMFYSA-N 396.473 -0.321 30 10 GBEE N#CCNC(=O)CN1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 1674043520 HPUOZMGSQOGDMA-QILLFSRXSA-N 375.473 -0.730 30 10 GBEE Cc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726371127 SARYTEOQPUCVQB-NOTNZGAASA-N 385.428 -0.172 30 10 GBEE C#CCNC(=O)CN1CC2(CC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)O2)C1 1733790537 KSNGOENNGVVSLI-NBOOPKSLSA-N 375.469 -0.100 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(N)=O)C1 1749670502 SCNWWPAQRFGEDS-DIFFPNOSSA-N 375.433 -0.767 30 10 GBEE CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1770328122 GFHFZXSWCFXIMM-CYBMUJFWSA-N 396.473 -0.322 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1=O 1849369450 NAOUMEBQAQERMC-CQSZACIVSA-N 395.485 -0.106 30 10 GBEE C[C@@H]1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2281957390 LFWINOYRAHUZTJ-SNVBAGLBSA-N 384.267 -0.627 30 10 GBEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)C1CS(=O)(=O)C1 2282000910 UOXNHODBFFHFCR-UHFFFAOYSA-N 383.279 -0.103 30 10 GBEE CN(Cc1nn[nH]n1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282495457 MSFYKTJBFULOGT-UHFFFAOYSA-N 383.243 -0.947 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H]2CNC[C@@H]2O)OC1(C)C 2282835742 AVIPNYMFCLHAGV-GJZGRUSLSA-N 382.291 -0.262 30 10 GBEE CNC(=O)C(C)(C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282835881 BRUWJVWYEABROU-UHFFFAOYSA-N 386.283 -0.478 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H](C(=O)O)C2CC2)n1 2284399170 HEJFXWUHDTWNKC-NSHDSACASA-N 385.251 -0.139 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2C(=O)NC[C@H]2C(=O)O)OC1(C)C 2284486496 KGPARXNZNDKVGF-VXNVDRBHSA-N 381.219 -0.629 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@@]2(CN)C1 2288266149 IJYXIVYEAVXYTL-BDJLRTHQSA-N 382.295 -0.311 30 10 GBEE COc1cccc(C(=O)C=CC(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 2325238237 HMHVVTWWUKQYGO-UKRRQHHQSA-N 397.405 -0.495 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H]2[C@H](C1)CS2(=O)=O 2362346483 SIIPEYMJJABYMU-GHMZBOCLSA-N 381.263 -0.412 30 10 GBEE CN1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1=O 287007570 MOZTXDWCVSPFEJ-ZBFHGGJFSA-N 397.435 -0.093 30 10 GBEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 433878038 OOKUHXLNHHDTEG-ZDUSSCGKSA-N 375.360 -0.511 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccnc2OCC)CC1 569349375 SQEAJQDICZXAOS-UHFFFAOYSA-N 389.456 -0.457 30 10 GBEE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(Cl)cc2C#N)C1 599501891 ZZDLTYCARNKOQY-UHFFFAOYSA-N 378.863 -0.019 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)C1=O 656080953 LXNTYTADODKYRK-WCVJEAGWSA-N 380.489 -0.154 30 10 GBEE C#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 839194783 HOWYNRPGDUDDSW-INIZCTEOSA-N 395.456 -0.007 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C[C@H](O)C[C@H]2C1 848308155 ZPGHENGCXFHDPP-UONOGXRCSA-N 392.481 -0.217 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc(C(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 1117042036 HQISFQTZDHYEHG-HNNXBMFYSA-N 391.449 -0.689 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)C1=O 1120344199 NSSNVKNMIZIOKE-IFXJQAMLSA-N 392.456 -0.031 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@H]2CCCS2(=O)=O)cc1 1176235956 WTJHZEGYFYTLFE-CYBMUJFWSA-N 385.467 -0.080 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3oc(O)nc3c2)CC1 1248467321 DRAORCQJKQRZTN-UHFFFAOYSA-N 393.425 -0.172 30 10 GBEE CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1254883186 WSHZSTQZGKZZJK-OAHLLOKOSA-N 382.428 -0.561 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 1261396172 VUAIHWSMGGAZHS-IBGZPJMESA-N 384.480 -0.089 30 10 GBEE CN1CCC(C#N)(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1292879585 AWHVWLAWIGWHST-OAHLLOKOSA-N 389.431 -0.167 30 10 GBEE CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1322692413 DRQOMOKMUGAHEK-UIUQPETLSA-N 392.456 -0.116 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1336184669 ACIXIJJJHFIHEB-INIZCTEOSA-N 393.465 -0.445 30 10 GBEE C=CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1466425775 BTEDJHVAUMTVDP-UHFFFAOYSA-N 381.454 -0.136 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)cc1 1470302506 DQCRHFMTEKGIQM-HNNXBMFYSA-N 389.437 -0.269 30 10 GBEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@]12COCCN1C(=O)COC2 1535336734 SZTYIYAPMBLAGY-MSOLQXFVSA-N 381.429 -0.008 30 10 GBEE C#CC1(O)CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 1559296157 DWWOZGAYHVPNID-UHFFFAOYSA-N 380.426 -0.285 30 10 GBEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCNC(=O)C1 1595812006 KGGODDHBQQORKW-UHFFFAOYSA-N 390.469 -0.199 30 10 GBEE C=CCOC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)C(=O)OC 1617949664 HLYYBIIPNPWNJY-KBPBESRZSA-N 375.381 -0.012 30 10 GBEE N#Cc1cn(C2CN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1648787010 FYYIVKMXEGBVSX-HXUWFJFHSA-N 395.419 -0.159 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3nccn3)nc2)CC1 1668018511 JZLNZKIJIRHXNH-UHFFFAOYSA-N 390.429 -0.721 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1705495896 XHNFQWAHGOHXJR-QWHCGFSZSA-N 385.490 -0.160 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@@H]1O 1719310804 LKNZXMLIOVFPIL-MQYQWHSLSA-N 377.397 -0.712 30 10 GBEE CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1729227938 HWUIAZJBKGUPSJ-QWHCGFSZSA-N 384.462 -0.202 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCC(=O)NCC 1757814507 MSIPIPUDDQZTJY-KFWWJZLASA-N 376.457 -0.320 30 10 GBEE Cn1cnnc1CN1CC[C@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)C1 1854243146 FBKHPPJUICDGCW-INIZCTEOSA-N 394.439 -0.359 30 10 GBEE C#CCNC(=O)CCNC(=O)[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C 2205460865 WWGAXLMSZPEUKM-QEJZJMRPSA-N 383.445 -0.109 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCN)CCN)OC1(C)C 2267707964 AUGMIRHJOOMZHF-UHFFFAOYSA-N 390.340 -0.509 30 10 GBEE Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990650 POQJBRMMFNBVCR-NSHDSACASA-N 383.279 -0.055 30 10 GBEE C[C@@H]1CCO[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282322668 PIVHJLYOGBLRSP-GHMZBOCLSA-N 386.283 -0.182 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1COC[C@@H]1CO 2282330300 XUSDELXFCJORDQ-QWRGUYRKSA-N 387.267 -0.995 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(C)CC(=O)N2)n1 2282499638 FDSHBLGBEWJTRY-OAHLLOKOSA-N 384.267 -0.724 30 10 GBEE C[C@H]1CNC[C@@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505073 YGYWCLOTSKVBGQ-NWDGAFQWSA-N 384.311 -0.147 30 10 GBEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)[C@@H](O)[C@H]3C(=O)O)c2)OC1(C)C 2284453903 KTGSZVXGSFTUQA-ZMLRMANQSA-N 383.231 -0.322 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CC[C@@](O)(CO)[C@H](O)C2)OC1(C)C 2362504312 BGFGDPSLJCPTAG-BDJLRTHQSA-N 384.263 -0.628 30 10 GBEE C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@@](O)(CO)C[C@@H]21 257394395 CFELOEAQUHFCCH-DESMDCLRSA-N 394.420 -0.082 30 10 GBEE C/N=C(/NC[C@]1(N(C)C)CCSC1)N1CCN(c2nccn(C)c2=O)CC1 262825390 YAHOYZXNRTVZAT-GOSISDBHSA-N 393.561 -0.085 30 10 GBEE C#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 839194750 FKNIJLHCLKEJLL-OAHLLOKOSA-N 396.469 -0.542 30 10 GBEE C#C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 854763426 LZYHNFDQNXYSJS-HNNXBMFYSA-N 393.465 -0.590 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC(F)(F)C[C@@H]3CO)CC2)c1C#N 1117912072 LCCMJOVPCNIWMC-GFCCVEGCSA-N 396.398 -0.523 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)CC1 1286781434 YYFZPSMMMCHCRC-CYBMUJFWSA-N 385.490 -0.127 30 10 GBEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1292497047 INBMSYATVMLYGT-ISLYRVAYSA-N 399.407 -0.012 30 10 GBEE C#CCN(C(=O)C(=O)Nc1c(OC)ncnc1N(C)C)[C@H]1CCS(=O)(=O)C1 1320869306 VSZPOVQJBKPSNH-NSHDSACASA-N 395.441 -0.861 30 10 GBEE CCc1cnc(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 1322759704 GLSFNELFOUMHDF-BUHFOSPRSA-N 377.426 -0.036 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nnc(C)s2)n1 1323153674 XCQAZYPXDQSBSR-UHFFFAOYSA-N 376.442 -0.032 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 1326044392 IGFKGKUNUDAPDI-LBPRGKRZSA-N 391.405 -0.395 30 10 GBEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C[C@H](O)CC1(C#N)CCOCC1)C2 1328766947 JRZHTQVUFQEAAQ-CQSZACIVSA-N 392.460 -0.980 30 10 GBEE CCON(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1329864100 XUYUZGIJUSYDFH-UHFFFAOYSA-N 391.403 -0.128 30 10 GBEE COc1ccc(CC(=O)N[C@H](C#N)CO)cc1S(=O)(=O)N1CCOCC1 1330849070 SOIVUJFIQILAJV-CYBMUJFWSA-N 383.426 -0.741 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 1335583742 ISFFYKUNPFKTTR-NQIIRXRSSA-N 385.464 -0.058 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)C1 1346280009 CVWNOKZLHCAJFV-DZGCQCFKSA-N 393.440 -0.286 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc2ncccn2n1 1347775371 UBPNHMBVQMGMBY-NFAWXSAZSA-N 380.408 -0.270 30 10 GBEE CCN1CC[C@@H](N(CC)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1350750613 HCXSLZJXJPDTTG-UWZWCOGJSA-N 377.445 -0.428 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1[C@H](CO)CC[C@H]1CO 1469498377 QXJBFLFMWMQQNI-STQMWFEESA-N 381.454 -0.151 30 10 GBEE CN(C)S(=O)(=O)N1CC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1565158488 UUKITTYHWKNSEJ-UHFFFAOYSA-N 379.442 -0.179 30 10 GBEE N#C[C@@]12CN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)C[C@H]1CS(=O)(=O)C2 1645267442 DFKQRICKOJALBA-DZGFNVRVSA-N 380.426 -0.848 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CNS(=O)(=O)CC)C1 1719453258 IVBVKWUWHOIMNJ-YJNKXOJESA-N 387.502 -0.082 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN(C)C(=O)COC)C[C@H]2C1 1736234440 WNESQLGVLQIYRR-TWMKSMIVSA-N 393.484 -0.011 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1O 1739468439 BTGSPWMUYFFBRL-FPCVCCKLSA-N 388.424 -0.910 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)C[C@H]3CCCCO3)C(=O)C2)C1 1856835409 QEZYJMCGFCEVTC-LSDHHAIUSA-N 398.485 -0.456 30 10 GBEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CN3CCCC3=O)C2=O)C1 1857104937 YHPZSYPIRYLBEG-OAHLLOKOSA-N 383.408 -0.234 30 10 GBEE N#C[C@@H]1CNCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249437454 HLWSENKMLXUUAS-KGLIPLIRSA-N 396.425 -0.507 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(O)CS(=O)(=O)C1 2256082949 VBUJFXRBXDVKRH-NSHDSACASA-N 375.447 -0.151 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2267542425 RIZMWBXQZNXBBX-VHSXEESVSA-N 388.276 -0.670 30 10 GBEE CCC(CO)(CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282343108 CDCBGJWTRJAZAR-UHFFFAOYSA-N 389.283 -0.869 30 10 GBEE Cc1nc(C(=O)N2CCNC[C@@H]2C(N)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282512218 GYIMJZKVTFIXAW-SNVBAGLBSA-N 380.279 -0.350 30 10 GBEE CNC(=O)[C@H]1CNCCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282518465 XRHXXBNEONLSEQ-SNVBAGLBSA-N 380.279 -0.398 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1NC[C@@H](O)[C@@H]1O 2282595544 WAVJFUTVDPJWAF-HOSYDEDBSA-N 383.279 -0.826 30 10 GBEE C[C@@H]1[C@@H](NC(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCS1(=O)=O 2282693295 LDCUNLPOZJMDES-ZJUUUORDSA-N 384.267 -0.580 30 10 GBEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@H](CO)C(=O)O)cc2)OC1(C)C 2284411087 FZIXROMBPWXWQR-CYBMUJFWSA-N 385.247 -0.149 30 10 GBEE CC1(C)OB(c2occc2C(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)OC1(C)C 2360577603 VVLQBMMVGVWWHY-JTQLQIEISA-N 387.219 -0.194 30 10 GBEE CN1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1=O 287001555 MGDPGXCKKOWXAD-HZPDHXFCSA-N 397.435 -0.488 30 10 GBEE C[C@H](Oc1ccccc1C#N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 580780987 NNCORUAPYGXBHO-ZDUSSCGKSA-N 378.454 -0.229 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 635156641 MNBQMTRISOCWOM-NEPJUHHUSA-N 397.419 -0.344 30 10 GBEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2COCCOC2)cc1 645599986 VRWLWTVMNRMRNY-UHFFFAOYSA-N 397.453 -0.037 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2cnn(C)c2)n1 790104063 JKWUYSIXQZNXAG-UHFFFAOYSA-N 394.457 -0.797 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccn(C)n2)c1 791249079 MMVSPSOWDABXTA-UHFFFAOYSA-N 375.410 -0.300 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)n1 809441391 XCVRRGGNYDOXOG-WBVHZDCISA-N 391.472 -0.673 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCC(=O)OC(C)(C)C)CC1 831560623 CKYQREFWIFJTAL-UHFFFAOYSA-N 391.515 -0.327 30 10 GBEE C=CCO[C@@H](C)C(=O)OCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1082768002 YKOSKLIXWSYEDB-AWEZNQCLSA-N 381.429 -0.586 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C1 1117610321 BFZDEWZBQAJVJZ-LBPRGKRZSA-N 387.483 -0.054 30 10 GBEE N#C[C@]12CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1198337310 RYPZQXMYHJHQPS-JOYOIKCWSA-N 382.364 -0.365 30 10 GBEE C=CCO[C@@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 1258124216 LKLSXAXLDNMFEW-RSUGUSAISA-N 377.401 -0.781 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1301967354 BYZFBDKRAVCAMG-NWDGAFQWSA-N 378.462 -0.047 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 1327199355 FBXZGEJXGSANHQ-BPLDGKMQSA-N 375.429 -0.166 30 10 GBEE COc1ccc(CNC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C#N 1338144620 HGALHATZRNFGMR-UHFFFAOYSA-N 394.453 -0.277 30 10 GBEE C[C@]12COC[C@@]1(C)CN(C(=O)C(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)C2 1348209989 GFHAJVYMAORISC-HDICACEKSA-N 387.396 -0.911 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C(=O)NC 1359291330 MJEMOYSMSBLZDP-ZDUSSCGKSA-N 391.476 -0.365 30 10 GBEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)Cn1cnc(C#N)n1 1450268022 CGVIGICVFZGTKP-UHFFFAOYSA-N 377.430 -0.608 30 10 GBEE C=CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1488359506 BXJOLGUPQILGGT-GHJPUPADSA-N 375.429 -0.563 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)CCCC1=O 1544297088 LJFMDIGETAQBQC-UHFFFAOYSA-N 392.437 -0.230 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccc1F 1556947314 NXTRDNUKJMEGAM-GFCCVEGCSA-N 383.405 -0.328 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@]12COCCN1C(=O)COC2 1565223906 ZAHJHSOFWUHBOK-LPHOPBHVSA-N 388.424 -0.139 30 10 GBEE C#C[C@H]1COCCN1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565448807 BFWXIGUDCSOXBH-DLOXAQCQSA-N 384.454 -0.071 30 10 GBEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1587808061 MZXVNVKEJFHRST-STQMWFEESA-N 382.490 -0.031 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 1740609898 PRDKLGNOQKAAKE-YOEHRIQHSA-N 397.501 -0.159 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N[C@@H](CCS)C(=O)O)C1 2077115816 KSHYIMMHYXJZKW-UWVGGRQHSA-N 396.487 -0.090 30 10 GBEE Cc1sc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2281951955 PRGKGCSOSCDGRY-XWUBHJNHSA-N 383.275 -0.059 30 10 GBEE Cn1cc(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)nn1 2282288802 AHDZSCNAGGYERS-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H](O)C(C)(C)C 2282317406 QSQQCRURCNYTNF-JTQLQIEISA-N 388.299 -0.200 30 10 GBEE C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282326531 UKNRVBYBPHQYNJ-MNOVXSKESA-N 385.299 -0.657 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN[C@H]2C[C@H]21 2282334384 AMFWRIZFJYSPAF-TUAOUCFPSA-N 382.295 -0.252 30 10 GBEE CCS(=O)(=O)NCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282545211 WBTQUNIROWROED-UHFFFAOYSA-N 386.283 -0.612 30 10 GBEE CO[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284409967 PKFZCJPQIAJQDL-JTQLQIEISA-N 389.239 -0.903 30 10 GBEE C[C@@H](F)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284413921 NXGLQGKMJDWPJI-LDYMZIIASA-N 391.230 -0.191 30 10 GBEE C[C@H](C#CC(=O)O)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2318614077 KKBLJZFLVCZUMR-GHMZBOCLSA-N 376.431 -0.093 30 10 GBEE CC/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CCN(C2CC2)C(=O)C1 261688318 RMRHNRDIWFNNDT-UHFFFAOYSA-N 385.534 -0.070 30 10 GBEE N#Cc1ncccc1S(=O)(=O)N1CCN(CC(=O)N2CCOCC2)CC1 276944538 BBHDGDVFWZTBEW-UHFFFAOYSA-N 379.442 -0.882 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CO)C1 600766010 GUIMUNFEOVXWMN-MELADBBJSA-N 379.504 -0.368 30 10 GBEE C=CCOC(=O)[C@@H](N)CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 884213405 ACQRLHLJVYCWKN-INIZCTEOSA-N 380.489 -0.164 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1118098346 YWNFZCVMKVRKCL-CVEARBPZSA-N 385.420 -0.357 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2CC(N)=O)s1 1142402554 PSQSYJPIFZDLOL-LLVKDONJSA-N 387.483 -0.142 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(COC)CCOCC2)CC1 1229524248 PBUCDRFBGUIYCH-UHFFFAOYSA-N 388.490 -0.776 30 10 GBEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)C1 1255364913 TUCSEPKDRRZZLV-CQSZACIVSA-N 380.474 -0.477 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)c2c3c(nn2C)CCS(=O)(=O)C3)CC1 1272407929 COIUVVRPOZPEHY-UHFFFAOYSA-N 380.426 -0.190 30 10 GBEE CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1313544027 FOEPJJMPZGEGMH-RYUDHWBXSA-N 399.477 -0.905 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 1328596173 OIBIFMQFTVODKH-NEPJUHHUSA-N 375.347 -0.236 30 10 GBEE C=CCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1339197568 SHDDQRPAKXVDQM-PBHICJAKSA-N 398.533 -0.153 30 10 GBEE C#CCN(c1nnc(CN2CCC[C@@H](O)C2)n1CC)[C@@H]1CCS(=O)(=O)C1 1342872375 YSYAWSOSMQYPEG-HUUCEWRRSA-N 381.502 -0.119 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1359023941 BGSGNUQGVQMWST-CYBMUJFWSA-N 383.474 -0.598 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(CCCO)C1)c1cc[nH]n1 1449804921 WMYIPBVSPMXQDS-ZDUSSCGKSA-N 381.433 -0.344 30 10 GBEE CON(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1505090094 CCSWKJCSJYUWKD-QMLLPTRZSA-N 375.389 -0.247 30 10 GBEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@]12COCCN1C(=O)COC2 1535336735 SZTYIYAPMBLAGY-QZTJIDSGSA-N 381.429 -0.008 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](COC)[C@@H]2CCCOC2)CC1 1676114454 ZDTKQRIAQKVKLQ-HUUCEWRRSA-N 388.490 -0.777 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1722351943 MJMXRCNSFKSWJT-AWEZNQCLSA-N 393.473 -0.538 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)N1C(=O)CCC1=O 1757730753 CXUVOZXLNSXNMG-XGUBFFRZSA-N 375.425 -0.188 30 10 GBEE CN(C[C@H]1CC(=O)N(C(=O)[C@@H]2CCOC2)C1)C1CN(c2nccnc2C#N)C1 1856278347 KFZKLCQDIIHIPY-ZIAGYGMSSA-N 384.440 -0.120 30 10 GBEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2074723773 ZSUPMBUMPDXKBQ-PSASIEDQSA-N 375.447 0.000 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 2267375850 NEPKGELSGYSSBX-GHMZBOCLSA-N 375.231 -0.577 30 10 GBEE C=C(CS(=O)(=O)N[C@@H]1CNC[C@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2267470836 BNALEDWUISPXKT-VXGBXAGGSA-N 394.324 -0.522 30 10 GBEE CN(CCC1CNC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282839199 AFMBETQEZJLELL-UHFFFAOYSA-N 384.311 -0.051 30 10 GBEE CC[C@H](C(=O)O)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284415540 OXHUMAMEJCYECJ-SECBINFHSA-N 388.255 -0.402 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CC3(C2)OC[C@@H](O)[C@H]3O)OC1(C)C 2362504232 ALXUUEBGPROLID-GHMZBOCLSA-N 382.247 -0.611 30 10 GBEE C=CCn1c(N)nnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 192703178 GPPXTSXVLBHRJZ-UHFFFAOYSA-N 376.446 -0.024 30 10 GBEE CC/N=C(/NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(C(C)(C)C(N)=O)CC1 261851727 XKFNWCSTEYUKLL-HNNXBMFYSA-N 390.536 -0.004 30 10 GBEE CN(C)S(=O)(=O)NCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 404917825 QWGCEBKXWVKOKD-UHFFFAOYSA-N 384.267 -0.285 30 10 GBEE CN(C)c1nccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 563769312 DWXCTHTYVYXWFH-UHFFFAOYSA-N 394.439 -0.226 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)CC1 569243327 HVOSYAAERLYGQD-QGZVFWFLSA-N 385.468 -0.156 30 10 GBEE CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586860496 HPEILYYHYWINLA-HNNXBMFYSA-N 378.404 -0.535 30 10 GBEE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 593689687 PLEGDSLSVQJLHE-NWDGAFQWSA-N 387.371 0.430 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CC1 604209028 PDCRTQRABUYXCB-KRWDZBQOSA-N 392.548 -0.216 30 10 GBEE C=CCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 643697988 FSTZSJDNYZLMJH-FZKQIMNGSA-N 390.444 -0.737 30 10 GBEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)C1 798740934 FKUHAVASTKRXHY-KBPBESRZSA-N 378.433 -0.273 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 848955033 RZJPHBBNQDJFPE-CYBMUJFWSA-N 383.451 -0.099 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](CN)(C(C)(C)C)C2)CC1 868357207 QCCAEIJGELSIJM-FQEVSTJZSA-N 393.532 -0.344 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(CCOC)nn2)[C@H](OC)C1 941796130 SLHFHGIYLTXRDM-LUYZLQTOSA-N 393.444 -0.529 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3Cc4cccc(C#N)c4C3)C[C@@H]12 1118527125 JTUPLXNSQADQLD-XHSDSOJGSA-N 389.433 -0.329 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 1120320362 URXNBSXMOOCYGC-UHFFFAOYSA-N 378.473 -0.968 30 10 GBEE C#CCN(C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)[C@@H]1CCS(=O)(=O)C1 1125883608 LSWPXYLNYIRPPX-DOMZBBRYSA-N 389.433 -0.224 30 10 GBEE CC1=C(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H](C)n2ncnc2N1C 1157885316 PSDRKORAKVTVPL-BFQNTYOBSA-N 376.442 -0.040 30 10 GBEE COC(=O)C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 1261518008 HKXYHVVBGXJVGG-HZPDHXFCSA-N 389.408 -0.159 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1300716069 IPDVEJLQQWVRAU-AWEZNQCLSA-N 387.444 -0.459 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@H](C)N(CCOC)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1326247477 AIWKPTHCAILCEV-XHSDSOJGSA-N 399.513 -0.797 30 10 GBEE C#CCN(C(=O)C(=O)NCCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1326625729 ZCXOUJYUTOKUJF-HNNXBMFYSA-N 391.449 -0.220 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1)C1CCN(C)CC1 1335704839 STLVHXLJLHYTJO-GDBMZVCRSA-N 383.514 -0.034 30 10 GBEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1346256476 SCGHRGSNKOKAHV-OWCLPIDISA-N 389.408 -0.568 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)C1=O 1348294416 LKSFROBTNOIXPA-GJZGRUSLSA-N 392.456 -0.030 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CO)(CO)CC1 1455528886 FYCJETWPZMJGMB-CYBMUJFWSA-N 381.454 -0.182 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(C)=O 1507617149 RFLPQLGULAICPF-AWEZNQCLSA-N 398.489 -0.793 30 10 GBEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN4CCOC[C@@]4(CO)C3)CC2=O)cc1 1529084825 WIPMRIOJZPRURZ-JXFKEZNVSA-N 384.436 -0.183 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O 1540869507 OZJXDNSBSHIAJP-NSHDSACASA-N 384.462 -0.988 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1556504373 VIZWZUXJWZIJKZ-UHFFFAOYSA-N 384.444 -0.918 30 10 GBEE NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1626353920 IOAUXDFMQMPTFL-RMYFCYLKSA-N 389.456 -0.156 30 10 GBEE CO[C@@]1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCS(=O)(=O)C1 1638558702 FZPMREVHTWLVQW-QGZVFWFLSA-N 393.469 -0.011 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C 1686160891 KZYGWBCRAWWYBM-YJNKXOJESA-N 375.429 -0.382 30 10 GBEE C=CCCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1739041008 OFTWLZFRFPFCQE-UIWYYIFQSA-N 389.456 -0.173 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1 1749670096 QZQYQBUHNPUOEQ-ZDUSSCGKSA-N 383.474 -0.291 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1760522641 YBMPUGLIWKKWGO-UONOGXRCSA-N 397.501 -0.045 30 10 GBEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CN2CCCC2=O)C1)[C@H]1CCN(C)C1=O 1857253122 RKKYMTXUQWKCDG-GJZGRUSLSA-N 376.457 -0.297 30 10 GBEE CC1(C)OB(c2ccnc(N3CCS(=O)(=O)CC34CNC4)c2)OC1(C)C 2280759436 RCXHDTKJNLUUJW-UHFFFAOYSA-N 379.291 -0.042 30 10 GBEE C[C@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CO1 2282301613 GIKVFVBDHLGVRR-WDEREUQCSA-N 386.283 -0.040 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ccnnc1 2282343841 RXROJSKAXVTOJI-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNC[C@@H]3CO)cc2)OC1(C)C 2282353197 FTFKCIDAFDFHGZ-CQSZACIVSA-N 382.291 -0.059 30 10 GBEE CN1C[C@H]2C[C@H]1CN2S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282829529 GETGZLIYELIGQV-NWDGAFQWSA-N 382.295 -0.204 30 10 GBEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1ccc(F)cc1)n2C[C@H](O)CO 263628177 UXXZPZMYBIGQEB-NSHDSACASA-N 376.348 -0.226 30 10 GBEE CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 369221710 XXKJYLVQOABXLX-HNNXBMFYSA-N 385.424 -0.051 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN3CCCC[C@@H]23)CC1 577540157 JGFPIWRIUNWTLZ-CVEARBPZSA-N 377.489 -0.824 30 10 GBEE CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccsc2C#N)CC1 593536410 YUGYWJPANBLIBE-UHFFFAOYSA-N 378.501 -0.525 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1cc[nH]n1 772486004 BEOQAQVOQSSDJW-LLVKDONJSA-N 379.373 -0.253 30 10 GBEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 785288111 XFQMVGZNHSRFBX-AWEZNQCLSA-N 377.372 -0.124 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn(C(C)(C)C)c2=O)CC1 831583949 DCBIOXKFBCHHHI-UHFFFAOYSA-N 380.470 -0.171 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)NC)CCOCC2)c1 1177997839 KNYKCKPVTVTUIQ-UHFFFAOYSA-N 379.438 -0.377 30 10 GBEE N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cn1 1252237841 QDRVANWYXIZVCN-OAHLLOKOSA-N 391.453 -0.986 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1COCCN1CC(F)(F)F 1256737964 AHSXQURNFVYBDC-JMVABTLVSA-N 376.335 -0.108 30 10 GBEE N#CCCCCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1261547029 YQIHRYDHWQLBGW-CYBMUJFWSA-N 377.488 -0.269 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1323540995 RBSMMYBXTXEZMO-OLZOCXBDSA-N 383.470 -0.849 30 10 GBEE C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1327800687 YNIWALMLTIMZFB-AWEZNQCLSA-N 394.449 -0.164 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)CC1 1336522063 RTZCDWMSHKQXLD-DLBZAZTESA-N 391.468 -0.229 30 10 GBEE C#CCN1CCC[C@H]1c1nnc(N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)n1C 1338108485 YIUZWWOSEIRAEL-IHRRRGAJSA-N 375.429 -0.016 30 10 GBEE C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)[C@@H]1CCS(=O)(=O)C1 1352905518 QIRIUEWJGGRVDJ-SNVBAGLBSA-N 395.462 -0.439 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1357120248 ZOYHTNPVYRQWHD-JYJNAYRXSA-N 378.477 -0.067 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2CNC(=O)NC)c1 1455079623 QQWAGGDXDKJJKO-CQSZACIVSA-N 394.453 -0.632 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508073355 VZINQRBGVXKCNO-SFHVURJKSA-N 389.460 -0.565 30 10 GBEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1541907676 BQOBVIQJGPMLLS-WDEREUQCSA-N 381.466 -0.197 30 10 GBEE C[C@H](CC(=O)NCCCc1nnnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1558754458 MFXWJUMVWMPXNQ-LLVKDONJSA-N 391.457 -0.224 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1587990586 YXHKJXWIBYWAEG-CYBMUJFWSA-N 388.453 -0.208 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2[C@@H](c3cnn(C)c3)N(C)C(=O)[C@@H]2O)n1 1618758510 FNHXECHRHSUFKN-BRWVUGGUSA-N 384.440 -0.211 30 10 GBEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@@H]1CCN(O)C1=O 1636352648 KNLLSCDFLBUZGU-OAHLLOKOSA-N 398.485 -0.055 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 1636480028 JLZRPUAIOHOWCE-UHFFFAOYSA-N 393.469 -0.797 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1722436254 BAEPWMLBFNAGFD-ZRGWGRIASA-N 388.472 -0.476 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NC2CCN(CC#N)CC2)[C@@H](O)C1 2197490622 RLNJTIBLJCIKSO-KSSFIOAISA-N 382.461 -0.177 30 10 GBEE CN(C[C@@H](O)C1CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282288233 LVFYDICIXUZRTR-LLVKDONJSA-N 386.283 -0.494 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3COC[C@H]3CO)c2)OC1(C)C 2282353625 WJHMNHUJWHDBMH-RISCZKNCSA-N 384.263 -0.334 30 10 GBEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)CO 2282494634 AJZNCBKFUXTBPI-GFCCVEGCSA-N 387.263 -0.374 30 10 GBEE CN(C)S(=O)(=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282532008 RAAGBEXZLXDYGB-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE CN(CCS(=O)(=O)N(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2282578793 WKTKVELFWFKEKG-UHFFFAOYSA-N 386.283 -0.328 30 10 GBEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC[C@@H]1NC[C@H](O)[C@H]1O 2282652241 MLIHNMLHWDMJIR-AVGNSLFASA-N 382.291 -0.221 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCNC[C@@H]1C#N 2282849743 GHVLSQOWZIFVOK-NSHDSACASA-N 381.267 -0.795 30 10 GBEE N#Cc1c(F)cccc1N1CCN(C(=O)CN2CCN(CC(N)=O)CC2)CC1 193715825 JFXAGOUAPXNMSL-UHFFFAOYSA-N 388.447 -0.551 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 279468048 GFVWXTRWBOZTBF-PXAZEXFGSA-N 376.438 -0.036 30 10 GBEE CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1C 286694272 CHBKMWIBFKHGAT-UHFFFAOYSA-N 396.455 -0.282 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 292270210 GUZRIMIROPDTQD-WBVHZDCISA-N 380.489 -0.294 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)CCO1 410135075 LUWRDJDQNQJTGA-HUUCEWRRSA-N 386.474 -0.441 30 10 GBEE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 414582162 GSKGUVLNKQMASG-MAUKXSAKSA-N 386.452 -0.189 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)CC1 459890758 XKWQVSLNKYCEBE-INIZCTEOSA-N 379.505 -0.767 30 10 GBEE COCCOCCN1C(=O)C[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 489055344 SHOSGHJCKXWHRK-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE C[C@@H]1CN(CCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 545185010 JGGLOFIPUNSWGO-CYBMUJFWSA-N 383.412 -0.086 30 10 GBEE N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCC1COC1 600766587 MCBCLLLJELZBMX-GFCCVEGCSA-N 383.517 -0.787 30 10 GBEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H]3CCN(O)C3=O)CC2)c1 1141379963 BPVGEQCFCWQKTD-HNNXBMFYSA-N 396.469 -0.447 30 10 GBEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)[C@H]1CCOC[C@@H]1OC 1262944350 NXQUTCBVLXUIDU-KBPBESRZSA-N 390.444 -0.231 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1263805979 ZURIMPQRYLAMKC-UZVBGSJOSA-N 376.457 -0.046 30 10 GBEE C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(=O)(=O)NC)c1 1282685017 GMZOQXYZZNKJOJ-ILXRZTDVSA-N 376.438 -0.526 30 10 GBEE C=CCCOCC(=O)NC1(CCO)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1285947223 GUHVHJOQGHGITI-YQQAZPJKSA-N 382.457 -0.290 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCS(=O)(=O)C1CC1 1327015067 DWIDQYNDPBDSNW-HNNXBMFYSA-N 379.438 -0.257 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(CCOCCOC)CC2)CC1 1338143109 MDABTZDYBCJSJS-UHFFFAOYSA-N 381.473 -0.830 30 10 GBEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1440804452 OGGSVIBCKRYSPF-LBPRGKRZSA-N 386.391 -0.463 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 1565158232 LVRVUVCGOMKBPZ-OAHLLOKOSA-N 381.458 -0.276 30 10 GBEE COCCCS(=O)(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 1631371736 ZZVQEFFSXHPIEJ-UHFFFAOYSA-N 381.458 -0.124 30 10 GBEE 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10 GBEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1722422956 VYFRVNSINHSGTO-GFCCVEGCSA-N 396.477 -0.849 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)COCCO2)CC1 1722429168 HZICDDBIMVOZMV-IBGZPJMESA-N 390.488 -0.023 30 10 GBEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cc[nH]n1 1760464700 NBNDVRGJGIUJLB-GFCCVEGCSA-N 393.473 -0.045 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(=O)N(C)CC3)C2=O)CC1=O 1853651247 MMUSSPPJJDGGTF-GJZGRUSLSA-N 376.457 -0.297 30 10 GBEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1CCN1CCOCC1=O 1855213611 VNOULSHTIXIUTJ-UHFFFAOYSA-N 385.424 -0.125 30 10 GBEE C#CC(CO)(CO)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2245501497 CJCCIKSUYPFNOI-UHFFFAOYSA-N 380.422 -0.661 30 10 GBEE C=C(CS(=O)(=O)N1CC2(CNS(=O)(=O)C2)C1)B1OC(C)(C)C(C)(C)O1 2267467745 FTTBAKHCACKMGX-UHFFFAOYSA-N 392.308 -0.261 30 10 GBEE CC(C)C[C@H](N)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282307701 GYKBQOVCIWLMEQ-NSHDSACASA-N 387.315 -0.234 30 10 GBEE 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30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CCN1C1CC1 1119073647 HCQIJXKORJCMFH-QGZVFWFLSA-N 398.467 -0.267 30 10 GBEE C#C[C@H]1CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1119183764 WVQOCAKHMJTQHK-HDJSIYSDSA-N 387.527 -0.211 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1327294290 JTDBGRGFZJKBPT-YNEHKIRRSA-N 387.358 -0.284 30 10 GBEE C=CCN(C(=O)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1)[C@@H](C)COC 1335035150 LCRKBMSYCLQTOY-KXBFYZLASA-N 397.472 -0.488 30 10 GBEE C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1339068557 JLPIOPWWAQCYRY-KXBFYZLASA-N 391.520 -0.414 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnc(O)c3ccccc23)CC1 1471450749 JBPKLQCHLUHMBP-UHFFFAOYSA-N 375.410 -0.439 30 10 GBEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1490802699 DYNKDLFQBVCTKE-MQYQWHSLSA-N 378.429 -0.185 30 10 GBEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1520278249 HOAPHQDDBGBBCQ-HUUCEWRRSA-N 396.517 -0.013 30 10 GBEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)C[C@H]1CS(=O)(=O)C2 1685574819 QBOSTFIDWHUFLR-OZVIIMIRSA-N 392.441 -0.659 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1690033049 PDCIWZZORDHFLF-RHSMWYFYSA-N 395.485 -0.497 30 10 GBEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C1 1856233653 HPADILZCPHGVCB-GJZGRUSLSA-N 383.470 -0.362 30 10 GBEE CN(C[C@H]1CC(=O)N(C(=O)[C@H]2CCOC2)C1)C1CN(c2nccnc2C#N)C1 1856278345 KFZKLCQDIIHIPY-KGLIPLIRSA-N 384.440 -0.120 30 10 GBEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C(=O)C2)C1 1856840021 QVZJOIGPSDGVIQ-JKSUJKDBSA-N 398.529 -0.268 30 10 GBEE C#CCNC(=O)[C@@H](C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2019016372 DWUTVJPYGIJKIG-TZMCWYRMSA-N 396.421 -0.081 30 10 GBEE Cc1nc(C(=O)NCCS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2255684064 GEIPUAIVBBTWRN-UHFFFAOYSA-N 375.281 -0.231 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CNC[C@H]2S(C)(=O)=O)C1 2266490561 AZVVEKCFHITIMK-SBUZTJRASA-N 385.486 -0.206 30 10 GBEE C[C@@H](O)[C@@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267467103 LOXFPUVUMPQPQI-NXEZZACHSA-N 392.308 -0.397 30 10 GBEE COC(OC)[C@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282837371 UJNLPEIWGRABGU-VIFPVBQESA-N 390.271 -0.600 30 10 GBEE CNC[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282850150 LPLOYYNDRSYLHT-GFCCVEGCSA-N 384.311 -0.051 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@]2(CCN2)C1 2282855505 FPGFKCCLRCKVEA-MRXNPFEDSA-N 382.295 -0.154 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N[C@H](CCS)C(=O)O 2310486083 SROHCIHVGPPNSG-CHWFTXMASA-N 378.447 -0.393 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](Cn3cccn3)C2)c1=O 152800519 GJUAUUYWLBCLGJ-OAHLLOKOSA-N 388.428 -0.901 30 10 GBEE CC(=O)C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257631021 XTODSGVDHGMKSN-XUPMQOEZSA-N 386.441 -0.587 30 10 GBEE endogenous,in-man C/N=C(/NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(CC(=O)NC(C)C)CC1 262798649 QGIJPRHIDTYNPA-INIZCTEOSA-N 390.536 -0.133 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1=O 284487901 ZMFIRXICSALHQP-LSDHHAIUSA-N 386.456 -0.193 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)CC2)n1 595166140 NLBDOEMUIBBDAR-KRWDZBQOSA-N 398.467 -0.465 30 10 GBEE C#CCn1ccc(CN(CCOC)CC(=O)c2c(O)nc(=O)n(CC)c2N)n1 789323822 UEXKMXWGGZGKPY-UHFFFAOYSA-N 388.428 -0.288 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 839597558 KHCNYWSZKQFBHQ-BZUAXINKSA-N 397.431 -0.118 30 10 GBEE C#CCNC(=O)CN1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 851751615 VDDXOGPICLMXKD-INIZCTEOSA-N 380.489 -0.011 30 10 GBEE C#CCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C1CCN(C)CC1 886582246 LOJYMBMYAVBBRH-UHFFFAOYSA-N 381.502 -0.047 30 10 GBEE C#C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCOCC1 1118531912 RNEFQAMSNNDQOG-AWEZNQCLSA-N 399.407 -0.885 30 10 GBEE COC(=O)[C@@]1(O)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1153270754 YRQZGRVYYDJMHU-QGZVFWFLSA-N 395.437 -0.358 30 10 GBEE C=CCC1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)CCOCC1 1281919379 AHWLWIYNJXTYJB-QXSJWSMHSA-N 393.484 -0.051 30 10 GBEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286411408 SGLPKHLEOPJZNK-LJQANCHMSA-N 399.476 -0.114 30 10 GBEE CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H]1OC 1323762877 WHCQCDHGBLDTHT-OAGGEKHMSA-N 387.440 -0.090 30 10 GBEE C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)c1 1331572894 UITNBPOLSRFONV-BBWFWOEESA-N 382.420 -0.322 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@]2(CCSC2)C1)[C@H]1CCS(=O)(=O)C1 1332355326 FEGZQGABIXXEMM-XJKSGUPXSA-N 386.495 -0.630 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2(C)CC(F)(F)C2)CC1 1335070614 QUSZXQMSYQZSBT-UHFFFAOYSA-N 389.432 -0.302 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cnn(C)c3)CC2)c1C#N 1340116723 GEWZBWZWVZGKGK-UHFFFAOYSA-N 384.444 -0.659 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1345272725 IDZPIGQDCLKPJH-IRXDYDNUSA-N 398.463 -0.135 30 10 GBEE C[C@@H](CO)C1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1346360809 CPOYJVGAGQESTO-SUQMRRJOSA-N 378.429 -0.504 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2cncc(C(=O)NC)c2)CC1 1471451734 XMRYRTUSRJNMMO-SNAWJCMRSA-N 391.453 -0.934 30 10 GBEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507637721 MJVMJRSXMSROJF-UONOGXRCSA-N 395.485 -0.156 30 10 GBEE CN1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(=O)N1 1623963059 CSLPZISATGCKLU-OAHLLOKOSA-N 391.453 -0.580 30 10 GBEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCC#CCN(C)C)CCS2(=O)=O 1638897178 GZRGUHMCHCGATH-UUCFBXCCSA-N 385.486 -0.250 30 10 GBEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C[C@H]1CS(=O)(=O)C2 1684442149 WJYNBAVAJBEWLY-JDFRZJQESA-N 396.469 -0.654 30 10 GBEE C#CCO[C@H](C)C(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nn2)C1 1685897536 YFENKCFGSLVAFB-XTENKEOPSA-N 399.451 -0.261 30 10 GBEE C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1707160879 UKPNVAJQIVRESD-TWMKSMIVSA-N 392.500 -0.234 30 10 GBEE C=CCCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1735269738 WFGLBLMMAMAMQE-YAWIJTDMSA-N 375.429 -0.516 30 10 GBEE COc1cccc(C(=O)/C=C/C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 1866391947 HMHVVTWWUKQYGO-XPHWWTOTSA-N 397.405 -0.495 30 10 GBEE C#CCNC(=O)[C@H](C)S(=O)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2074763529 XLEVIJGCWFJNBF-WDEREUQCSA-N 376.431 -0.093 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](O)[C@H](O)C3)s2)OC1(C)C 2255749052 NAEGYPIMYPKVCV-NXEZZACHSA-N 375.277 -0.227 30 10 GBEE CC[C@@H](C[C@H](C)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282301744 RJZHIMHGHVYTMK-QWRGUYRKSA-N 388.299 -0.058 30 10 GBEE C[C@@H]1O[C@H](C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282318059 CKZVTDSZLWHCOE-OUAUKWLOSA-N 386.283 -0.042 30 10 GBEE Cn1nnc(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)n1 2282418008 GAETYDGJHQRPHU-UHFFFAOYSA-N 380.239 -0.617 30 10 GBEE Cc1nc(S(=O)(=O)N[C@@H](C)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282506478 SNRBNEVTHBNRPM-JTQLQIEISA-N 384.311 -0.086 30 10 GBEE C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282836374 IXCRYQFCEZJNGH-MNOVXSKESA-N 386.283 -0.182 30 10 GBEE CNC[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282841535 WDMHWCYUQSZGSO-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 2284393515 LWXMARMZZXKKIF-SNVBAGLBSA-N 385.251 -0.186 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)NC[C@H](O)C(=O)O)OC1(C)C 2284395138 IFVKITNQEJIXSH-ZDUSSCGKSA-N 385.247 -0.149 30 10 GBEE COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349459419 HNNSZQUVASSASM-OLZOCXBDSA-N 397.544 -0.302 30 10 GBEE CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)C1 410658832 XTUVNNDNUVIKFO-CQSZACIVSA-N 384.440 -0.319 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)N(C)C 593599658 XLDGBKCITGISDM-UHFFFAOYSA-N 375.428 -0.485 30 10 GBEE Cc1nc(=NC(=O)Cn2cnc3c(cnn3C)c2=O)n(-c2ccc(C#N)cc2)[nH]1 610110410 WYGWTQHXUWUDBV-UHFFFAOYSA-N 389.379 -0.049 30 10 GBEE COCCNC(=O)Cn1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 747573405 XNGPXBKMTNHCBC-OAHLLOKOSA-N 375.433 -0.150 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1=O 751089944 DXCWBGFAKKFHAI-UHFFFAOYSA-N 378.307 -0.558 30 10 GBEE C#CCN(C(=O)NCc1ccc(S(N)(=O)=O)cc1C)[C@H]1CCS(=O)(=O)C1 775202888 PUTJXAPVVCGOGB-AWEZNQCLSA-N 399.494 -0.026 30 10 GBEE C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 828881453 ARPXGLNKLIDKKS-OAHLLOKOSA-N 389.456 -0.474 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 854307720 TYCWDGUUKQLYED-RUZDIDTESA-N 384.424 -0.073 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)C1=O 880498003 FFPYRIMBFDDXOT-STQMWFEESA-N 378.429 -0.421 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)NC)CC1 1300700550 SIIKCPPQYXLJAY-AWEZNQCLSA-N 382.490 -0.914 30 10 GBEE CCC[C@@]1(CO)CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326595314 GFAVKOMQAPWAOE-OUFNUQFJSA-N 378.429 -0.217 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1327294287 JTDBGRGFZJKBPT-RWMBFGLXSA-N 387.358 -0.284 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCN1C1CC1 1329970424 QNWBQLLAFOKWEK-HNNXBMFYSA-N 390.465 -0.225 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359306954 WICYZDVSTAHISG-ZIAGYGMSSA-N 389.460 -0.012 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 1508058615 CHVZVZDGMNCPDU-LBPRGKRZSA-N 384.462 -0.877 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1508075172 UTZQZQTWKNMUHV-UHFFFAOYSA-N 375.477 -0.367 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)Cn2nccn2)C1 1515249808 BPSHFXXXYLNQLQ-LVQVYYBASA-N 377.445 -0.151 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)c2c3c(nn2C)CCS(=O)(=O)C3)CC1 1519095300 NEGAZFFQRUANIL-UHFFFAOYSA-N 378.454 -0.507 30 10 GBEE C#CCNC(=O)CC(=O)N(CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CC1 1529826332 DQJIHIIBWQXGBP-DHSIGJKJSA-N 377.441 -0.715 30 10 GBEE C=CCN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)[C@@H]1CCS(=O)(=O)C1 1530298218 WCGPMLWGYMIXQA-LLVKDONJSA-N 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C=C(CS(=O)(=O)N1CC([C@H]2NC(=O)NC2=O)C1)B1OC(C)(C)C(C)(C)O1 2282871968 OFJNIKMGBFSJGL-LLVKDONJSA-N 385.251 -0.356 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCOCC(=O)O)n1 2284418032 SVVKWEWLMZNPTR-UHFFFAOYSA-N 389.239 -0.901 30 10 GBEE CC1(C)OB(c2nc(=NS(=O)(=O)CCOCCF)s[nH]2)OC1(C)C 2317765494 TZWQIKBEDJYHEN-UHFFFAOYSA-N 381.260 -0.013 30 10 GBEE C#C[C@@H](C)N1CCN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 2362087441 MGNDMOMZSLINLN-ZRGWGRIASA-N 381.473 -0.115 30 10 GBEE COCCCn1c(=O)/c(=C\c2ccc3c(c2)OCO3)s/c1=C(\C#N)C(N)=O 12566824 YDPVGDZQLSCZIW-WKQNWUFWSA-N 387.417 -0.337 30 10 GBEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COCCO3)n2CC=C)CC1 508470230 BSNHSLUGNJHSJU-OAHLLOKOSA-N 376.461 -0.024 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)nn(CC)c2C)CC1 532832273 HJKLFBZWVOVTQT-UHFFFAOYSA-N 376.461 -0.095 30 10 GBEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CC#N)cc1 577609032 UURLBHSYDQLQPJ-OAHLLOKOSA-N 378.454 -0.091 30 10 GBEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 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30 10 GBEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC4(C3)NC(=O)NC4=O)CC2=O)cc1Cl 1607388031 YQBHCOZXNKWMSY-JTQLQIEISA-N 387.783 -0.015 30 10 GBEE C#CCCN1CCN(C(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)CC1 1627318153 CFJGZPRQKZWAMF-UHFFFAOYSA-N 398.467 -0.112 30 10 GBEE N#CCNC(=O)CN1CC2(CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)O2)C1 1724870627 PFGMCHSQKDLRGA-QSJFSLAZSA-N 376.457 -0.209 30 10 GBEE C#CCS(=O)(=O)CCNC(=O)c1cc2n(n1)CCC[C@@H]2N1CCOCC1 1850799395 PJROZBZOQGEJLG-HNNXBMFYSA-N 380.470 -0.172 30 10 GBEE Cn1cc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)nn1 1857071180 FHMOJDQTBDLFID-HNNXBMFYSA-N 380.412 -0.355 30 10 GBEE C#CCN1CCC(NC(=O)[C@@H]2[C@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CC1 2204054310 GHYADAZAUNXFQV-HRCADAONSA-N 381.473 -0.069 30 10 GBEE C[C@@H](CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2255645365 OUEVDABFKDTSAE-QMMMGPOBSA-N 375.281 -0.151 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CNC[C@@H]2S(C)(=O)=O)C1 2266490560 AZVVEKCFHITIMK-HASVCBABSA-N 385.486 -0.206 30 10 GBEE 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30 10 GBEE CC(C)(C)C#CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1141918340 WLKLZHWEGFEYTO-ZDUSSCGKSA-N 376.500 -0.303 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(O)CCOCC2)CCO1 1303003089 CIIMSTVKZTVPOO-UONOGXRCSA-N 390.444 -0.110 30 10 GBEE N#C[C@@]1(F)CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)C1 1335024462 BVCGSUDBMWYPBA-YJBOKZPZSA-N 375.404 -0.137 30 10 GBEE C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(c2nncn2C)CC1 1338831026 MRMCOAVEAVMNQP-OAHLLOKOSA-N 387.492 -0.124 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1348436324 TYUXDNLXFRKREX-CYBMUJFWSA-N 395.437 -0.968 30 10 GBEE COCCN(C)CCN1C[C@H](NC(=O)c2nc(O)c(C#N)cc2C)CC1=O 1468669155 HOUAUOCBYCSQNP-CQSZACIVSA-N 375.429 -0.124 30 10 GBEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507631380 CZTWDCUXCAUNGX-KGLIPLIRSA-N 395.485 -0.108 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(CCOC)C1 1507651502 BTWWHZHVZDPHSV-HOTGVXAUSA-N 398.467 -0.203 30 10 GBEE 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Cn1nccc1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849167 XJALLSQHDPOENT-UHFFFAOYSA-N 381.267 -0.069 30 10 GBEE C[C@@H]1C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CN1 2282850932 VFNQNPPLMCOOMM-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE CON1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282860471 ASPJFYLIUPNSNA-NSHDSACASA-N 386.283 -0.367 30 10 GBEE CN(C1(CCO)CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282865771 YQWBYBBUUWCIQX-UHFFFAOYSA-N 386.283 -0.350 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3C[C@H](O)[C@@H](O)[C@H]3C(=O)O)s2)OC1(C)C 2284454259 NDBVDCOCMJLBCY-KPXOXKRLSA-N 383.231 -0.322 30 10 GBEE CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 368151503 IYPIKXSNJGJUFS-UHFFFAOYSA-N 379.442 -0.163 30 10 GBEE CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 594634190 ABGIXJLHCDJWTE-ZDUSSCGKSA-N 386.455 -0.612 30 10 GBEE CN(C)S(=O)(=O)N1CC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 599774189 QYRABLGSMQHSHM-UHFFFAOYSA-N 390.429 -0.249 30 10 GBEE C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC 773349463 NACXVLBFMLVYPT-AWEZNQCLSA-N 386.408 -0.510 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)n1 809239822 PGKXZGMURBFELO-JKSUJKDBSA-N 389.456 -0.478 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)[C@@H]2CCCOC2)CC1 898460711 XRXBGMIICCFSCU-HZPDHXFCSA-N 380.489 -0.246 30 10 GBEE CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1297704140 DFUVTCCJIRNDQR-NWDGAFQWSA-N 382.446 -0.607 30 10 GBEE N#Cc1ccsc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1318963585 NKYVLGJVIRMSQD-CYBMUJFWSA-N 396.494 -0.319 30 10 GBEE C[C@]1(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO[C@@H]1C1CC1 1323418690 CDAGYIZXQPUSSA-LZHCIVQCSA-N 390.440 -0.050 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 1330936158 VKQKDEUSUDGIJR-CQSZACIVSA-N 399.455 -0.185 30 10 GBEE C=CC[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 1331629250 QDWIKUBJJGUIBB-AWEZNQCLSA-N 390.440 -0.769 30 10 GBEE C=CC[C@H]1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)C1 1335057928 ZUZIYSGBQKPNHR-HNNXBMFYSA-N 387.502 -0.079 30 10 GBEE C=C[C@H](O)c1nnc(N2CCN(CC(=O)NCC)CC2)n1C[C@@H]1CCCO1 1344629354 VQENXVYGIJMBCO-GJZGRUSLSA-N 378.477 -0.065 30 10 GBEE C[S@](=O)C1(C(=O)NCC(=O)NCC#N)CCN(C(=O)OC(C)(C)C)CC1 1347785854 RJABOGRUXKJOFR-SANMLTNESA-N 386.474 -0.109 30 10 GBEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1466801374 BSWZOWBIMBHSMD-NSHDSACASA-N 380.430 -0.305 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1OC 1489546276 HAKOQQCGKZRWPB-LVQVYYBASA-N 379.457 -0.164 30 10 GBEE N#CCNC(=O)CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1672532370 FFHSSUKWSQZMIS-VIFPVBQESA-N 381.190 -0.354 30 10 GBEE C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1726750552 AQOUYXSPVQZVCN-ILXRZTDVSA-N 389.460 -0.321 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1748962548 KWCPOWHWYXXQIE-WMLDXEAASA-N 398.485 -0.582 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)N(C)C)CC1 1748991179 RTDGXCWOIGNVBD-HNNXBMFYSA-N 387.488 -0.147 30 10 GBEE C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1757634354 ZFSHWHZLGQTOOF-KLHDSHLOSA-N 385.468 -0.126 30 10 GBEE C#CCNC(=O)[C@@H](C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019016371 DWUTVJPYGIJKIG-OCCSQVGLSA-N 396.421 -0.081 30 10 GBEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)O1 2282313528 MHQLZAQWGLJDPC-QWRGUYRKSA-N 386.283 -0.040 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@]2(CO)CCNC2)OC1(C)C 2282349439 YTZRFYXREURJPQ-QGZVFWFLSA-N 382.291 -0.012 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCn2cnnc2)n1 2282508163 RXAQCTAWQYHOJB-UHFFFAOYSA-N 382.255 -0.711 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](S(N)(=O)=O)C1 2282527302 AWZQEZISHGDUPI-JTQLQIEISA-N 384.267 -0.778 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1[C@H]2COC[C@H]12 2282854583 UBXSMRQIDHTRKP-VXGBXAGGSA-N 383.279 -0.110 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CNC[C@@H]3O)cc2)OC1(C)C 2282855799 JMVMUOOCGWQVQO-DOMZBBRYSA-N 382.291 -0.156 30 10 GBEE Cc1cc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)no1 2282868347 MCVYMMZAAGVSIY-UHFFFAOYSA-N 383.239 -0.111 30 10 GBEE CC#CCN(CC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)C(=O)OC(C)(C)C 2337857194 RGERNVRCBPUVOB-LBPRGKRZSA-N 388.442 -0.043 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N1C[C@H]2CCO[C@]2(C#N)C1 2358806870 VOCRNFGRGMKGEJ-KMYWOXPZSA-N 381.429 -0.141 30 10 GBEE C#CCNC(=O)CN[C@@]1(C(=O)O)C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 2376699163 CXEUQZCAJGWMEF-JCGVRSQUSA-N 381.429 -0.053 30 10 GBEE COC[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CCCO1 289776445 PXBKPYBKNVZHNY-HOTGVXAUSA-N 387.440 -0.088 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 349551088 JXHWEHMRYMWJFU-OLZOCXBDSA-N 381.476 -0.971 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 410498591 PAZVWHPLXOOGDR-MRXNPFEDSA-N 377.489 -0.872 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)C1 594636981 FYBOYHFSWSEWAK-CQSZACIVSA-N 379.504 -0.008 30 10 GBEE C#Cc1cccc(CNC(=O)C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)c1 829615223 RNWYUUCANITWAT-XHSDSOJGSA-N 376.434 -0.446 30 10 GBEE C#C[C@@H]1COCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 838480111 ASMQQOYCPOWAHO-GFCCVEGCSA-N 382.398 -0.083 30 10 GBEE C#C[C@@H]1COCCN1CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 839194872 LURFDNMLNQHSFW-AUUYWEPGSA-N 386.408 -0.173 30 10 GBEE C#CC[C@@H](COC)NC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 859034755 XBQHAMHPIBBCRX-ZDUSSCGKSA-N 382.442 -0.129 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nn(C)cc2C(F)F)CC1 867313015 LTSVIDLSJXCMKI-UHFFFAOYSA-N 398.414 -0.580 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3CN(C)C3)CC2)c1 1123934559 YSTGJFAFBJOJRA-UHFFFAOYSA-N 376.482 -0.330 30 10 GBEE CN1C[C@H](C(=O)NCCn2cnc(C#N)n2)N(C(=O)OC(C)(C)C)CC1=O 1128720299 NZRHDCMAAJEWGK-LLVKDONJSA-N 377.405 -0.656 30 10 GBEE C#CCN(C(=O)C(=O)NC1CCN(CC(=C)C)CC1)[C@@H]1CCS(=O)(=O)C1 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C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1 477745666 MEALOMDNPCNLQF-HNNXBMFYSA-N 388.468 -0.114 30 10 GBEE CCC(=O)N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 594630422 WXIVYISBGYHHJQ-UHFFFAOYSA-N 386.455 -0.311 30 10 GBEE CN1C[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CC1=O 594632616 KCOVHVSYKDBZCU-LLVKDONJSA-N 386.455 -0.660 30 10 GBEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 789324142 YXTHPBCXADEWKB-DOTOQJQBSA-N 396.513 -0.001 30 10 GBEE COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2Cl)c(=O)n1C 857226285 JYSNIMMDUQXXDI-UHFFFAOYSA-N 381.845 -0.901 30 10 GBEE C=C1[C@@H](C(=O)N[C@H](C)[C@H]2CN(C)CCO2)[C@H]1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 901141725 UOKWWJTVXURUID-OBRKIGFESA-N 394.516 -0.541 30 10 GBEE CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1117586119 ANDUMUYHZMXAKD-ILYKECGSSA-N 378.429 -0.195 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)N(CCO)C[C@@H]3C)CC2)o1 1171298282 SCFQSFSLIDBCOY-CABCVRRESA-N 390.488 -0.110 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](COC)C2CCOCC2)CC1 1230885176 OPRNVRXGCNJHJR-HNNXBMFYSA-N 388.490 -0.777 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)COC2CCN(C)CC2)C1 1281927594 ZTGLIEUXKDHITA-NCOADZHNSA-N 381.473 -0.624 30 10 GBEE C[C@@]12CN(C(=O)CCn3cc(C#N)c(O)nc3=O)C[C@]1(C)CS(=O)(=O)C2 1303344414 LKMZQODDIIERKP-IYBDPMFKSA-N 380.426 -0.506 30 10 GBEE C#CCC(CC#C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1322913276 XYHCGPXHAQGJPD-MRXNPFEDSA-N 379.482 -0.903 30 10 GBEE N#Cc1cccnc1NCCNC(=O)C(=O)NCC[S@](=O)CC(F)(F)F 1328264331 NDZKSFNSDXUVIU-SANMLTNESA-N 391.375 -0.091 30 10 GBEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)C1 1329139716 ANJPKHGRVBKDCM-HNNXBMFYSA-N 385.486 -0.631 30 10 GBEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1347840332 XWNFOGPEEKWOCZ-UTUOFQBUSA-N 379.442 -0.567 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1463727113 YSOVUWCOBUOTFW-VLUKHXRESA-N 396.469 -0.766 30 10 GBEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC(=O)NCCN1CCCCC1 1468041056 ADWOKPCTEJZBQO-ZCXUNETKSA-N 377.445 -0.379 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2nnc3ccc(Cl)cn23)C1=O 1470345288 MSOUPOZUNSTRPM-UHFFFAOYSA-N 376.760 -0.024 30 10 GBEE C#CCOc1ncccc1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1488056997 QTEVEQMXHNFXPY-JOWCLZMLSA-N 385.420 -0.276 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)[C@H]2OCCO[C@H]2C)C1 1509168166 FPWKDPNWOIHUTO-VGWMRTNUSA-N 382.457 -0.149 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN(C)C(=O)COC)[C@@H]2C1 1512814293 DLPFWFYDSRAEFB-JJXSEGSLSA-N 379.457 -0.258 30 10 GBEE N#Cc1cn(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(=O)nc1O 1540607721 XPEYTYGAJNYPRX-UHFFFAOYSA-N 381.270 -0.007 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCn1cc(CO)nn1 1740641588 LGTJXFFGXIYIPG-UHFFFAOYSA-N 396.455 -0.353 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1741679020 NNOWCUDJVMKBSS-GUYCJALGSA-N 378.433 -0.049 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CNC(=O)Cn2cncn2)[C@@H]1C 1772665718 NCFMGMBLMGLTDE-KBXIAJHMSA-N 390.444 -0.909 30 10 GBEE Cc1nn(C)cc1C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857146370 DSYPZZXYKOYJJJ-INIZCTEOSA-N 394.439 -0.048 30 10 GBEE CN1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(=O)N1 2267710831 BLYCVKHUERLADO-VIFPVBQESA-N 387.292 -0.329 30 10 GBEE Cn1nc(C(=O)N2CC(CO)(CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282542067 BVSJQQBDGBYCJU-UHFFFAOYSA-N 385.657 -0.201 30 10 GBEE Cc1ccc(S(=O)(=O)/N=C(\O)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 62064001 NCAPRKIAGNAAIQ-LLVKDONJSA-N 389.455 -0.509 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 433444640 SOMVJHLKJFSHDG-KRWDZBQOSA-N 392.437 -0.035 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 471619258 FVNFHIDFTZVAGC-IBGZPJMESA-N 376.457 -0.646 30 10 GBEE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)ccc21 573624473 MQJISLIDYKJJLU-UHFFFAOYSA-N 377.426 -0.376 30 10 GBEE C=CCCSCCNC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 599957304 RJNGNKHKQAFHJN-UHFFFAOYSA-N 383.518 -0.419 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cn([C@H]3CCCNCC3)nn2)CC1 662671285 SSCLCPYPCJNYGO-HNNXBMFYSA-N 375.477 -0.347 30 10 GBEE Cn1cc(S(=O)(=O)NN=Cc2cc(-n3ccnc3)cs2)c(=O)n(C)c1=O 783857270 YLBDJFTWTJCCAF-UHFFFAOYSA-N 394.438 -0.356 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 785425294 NDEPZFSNABSKJJ-UHFFFAOYSA-N 387.484 -0.185 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)n1 807001662 BBMXRMQTVSTAPO-CYBMUJFWSA-N 384.458 -0.959 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](OC)C1CCOCC1 827019200 JFCZSYRQWVKQFK-CABCVRRESA-N 379.500 -0.120 30 10 GBEE C#CCOCCC(=O)N1C[C@@H](C)N(C(=O)CCOCC#C)C[C@H]1C(=O)OC 839414838 OMGXWYSXQRQOGR-CVEARBPZSA-N 378.425 -0.333 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N2CCC(CO[C@H]3CCNC3)CC2)nn1 1118928277 KTCMROURFLOOFL-INIZCTEOSA-N 376.461 -0.303 30 10 GBEE C#CCN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[C@H]1CCS(=O)(=O)C1 1252614410 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CC1(C)OB(c2cccc(S(=O)(=O)N[C@H]3CCNC[C@@H]3O)c2)OC1(C)C 2282859902 RUEYEMJSTQVSNB-GJZGRUSLSA-N 382.291 -0.013 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCO)CC(F)F 2282860628 DKCRCIFJZOCJLK-UHFFFAOYSA-N 395.237 -0.033 30 10 GBEE COc1[nH]c(=NC[C@@H]2CCS(=O)(=O)N2)ccc1B1OC(C)(C)C(C)(C)O1 2365350758 RFRPFUCDJAHKJA-NSHDSACASA-N 383.279 -0.085 30 10 GBEE C[C@H](CN(C)C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2379822902 RGNFBJOEKIDYJA-LLVKDONJSA-N 387.315 -0.315 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOC)[C@H](C)C2)c1=O 117323027 PINFPOPTJNWDKZ-OAHLLOKOSA-N 379.461 -0.846 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN([C@H](C)CC)CC2)CC1 459890788 XOGHKIWYSKOMOK-MRXNPFEDSA-N 379.505 -0.625 30 10 GBEE CCOC(=O)c1c(NC(=O)CN2CCOCC2=O)c(C#N)cn1CCOC 562626813 GXLOUXYXWYMIJP-UHFFFAOYSA-N 378.385 -0.020 30 10 GBEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1COCCOC1 594633820 KTYRBXLBMLNDFB-UHFFFAOYSA-N 375.428 -0.818 30 10 GBEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCOCCCN)C2=O)cc1 599943520 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378.477 -0.208 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1CC(=C)C 1341977939 LJQLTRMOYDOJCL-OAHLLOKOSA-N 378.477 -0.042 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)CC2)cc1 1351381746 OSPBAOQBPRBEJT-IAGOWNOFSA-N 382.420 -0.166 30 10 GBEE CC(C)(C)n1cc(C(=O)C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cn1 1356017612 RPIGUKKEZPTOIH-LBPRGKRZSA-N 380.426 -0.213 30 10 GBEE N#C[C@]12CN(C(=O)CCCNC(=O)c3cccnc3)C[C@H]1CS(=O)(=O)C2 1439794828 IWIBSCOXRALAGH-WMLDXEAASA-N 376.438 -0.012 30 10 GBEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1520277880 CCUZSOYDLURUKU-CABCVRRESA-N 396.517 -0.013 30 10 GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC4(C3)NC(=O)NC4=O)C2=O)cc1 1564689398 GIGRWCANANJKLQ-CYBMUJFWSA-N 382.380 -0.737 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2NC(=O)CO3)CC1 1643372453 MJDXIPLMZXMUAK-UHFFFAOYSA-N 378.410 -0.757 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 1689945920 KXTLHIGJNNGEIK-RYUDHWBXSA-N 389.503 -0.608 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1748639651 KJQFFGYADJFXKI-MKBNYLNASA-N 382.490 -0.176 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H](C)S(C)(=O)=O)nn1 1757740862 JHQOLJDQFVOHRM-NMKXLXIOSA-N 381.458 -0.241 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(C)=O 1760209496 DWQQAQDTRVAUAD-AWEZNQCLSA-N 394.501 -0.123 30 10 GBEE Cn1nncc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856388158 AYWXSGQAENYWKC-GFCCVEGCSA-N 381.396 -0.166 30 10 GBEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CC(O)C3)ncnc21 1873593525 CXUSGDIIAGUPCQ-UHFFFAOYSA-N 386.456 -0.140 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)O 2200862212 NLHKGDHFIVPJPG-YVECIDJPSA-N 385.417 -0.019 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCO1 2249444171 ITTANLAHPPQFMT-KBPBESRZSA-N 397.409 -0.080 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CNC[C@H]3O)c(F)c2)OC1(C)C 2282309832 LJHZGBZLEQBXJT-CHWSQXEVSA-N 386.254 -0.264 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(C)CC(=O)N1 2282336779 HDFAODQVJWDATJ-OAHLLOKOSA-N 384.267 -0.724 30 10 GBEE COC(CN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)OC 2282495001 GESSPUQWDZUEAK-UHFFFAOYSA-N 389.283 -0.041 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(O)(CN)C3)cc2F)OC1(C)C 2282832171 KUDPTLCTEAMNTE-UHFFFAOYSA-N 386.254 -0.181 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCC[C@H]1CN 2282833939 MZWCFDCNTXQBRE-WDEREUQCSA-N 385.299 -0.480 30 10 GBEE CO[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H]1C 2282860922 IEUDBINYAKNMBJ-QWRGUYRKSA-N 386.283 -0.088 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)NC[C@@H](O)C(=O)O)c2)OC1(C)C 2284397696 OXSHHAKKYYGMNP-CYBMUJFWSA-N 385.247 -0.149 30 10 GBEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)C2CS(=O)(=O)C2)n1C 2362439659 FXNHLRMWJKUBJH-UHFFFAOYSA-N 383.279 -0.103 30 10 GBEE COc1ccc(C#CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 96345282 GWWRWNGHIOHPBH-UHFFFAOYSA-N 381.392 -0.390 30 10 GBEE O=C(CCn1ccc(=O)[nH]c1=O)NCC#Cc1ccc(N2CCNC2=O)cc1 96350935 OPPGUZQHPOLLEV-UHFFFAOYSA-N 381.392 -0.376 30 10 GBEE CCc1nc2n(n1)C[C@H](N/C(=N/C1CCOCC1)NCC(=O)N(C)C)CC2 262250048 BSRNIHLOUZSLQN-CQSZACIVSA-N 377.493 -0.042 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 425908520 IIPKCOZRQJVOPH-KBPBESRZSA-N 375.429 -0.159 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)CC2)n1 559894487 GOHQAQQINRMAJB-CQSZACIVSA-N 379.424 -0.001 30 10 GBEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1 582132483 OCTHDAFIDJMDHT-UHFFFAOYSA-N 398.466 -0.516 30 10 GBEE C=C1[C@H](C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]1C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 831225763 IATJVNCIAUMPNZ-DMSQCDIVSA-N 392.452 -0.371 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCn3c(CC4CC4)nnc3C2)c1=O 844720881 QMICAHCHGPCHED-UHFFFAOYSA-N 399.455 -0.439 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCOC[C@H]2CC2CC2)CC1 910882531 GMVCNTYQNNHSEQ-MRXNPFEDSA-N 378.473 -0.540 30 10 GBEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)cn1C)[C@H]1CCS(=O)(=O)C1 1116565771 HDRSCQYWXYJOBK-LBPRGKRZSA-N 387.483 -0.462 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1)C1CCN(C)CC1 1262274370 WJELVJKXJXFZID-INIZCTEOSA-N 378.473 -0.704 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 1262515858 MKQPEPJRHPXEJM-HNNXBMFYSA-N 397.497 -0.610 30 10 GBEE N#Cc1cn(CCNC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)c(=O)nc1O 1301212050 AMKURVAGDQCVEV-HNNXBMFYSA-N 381.392 -0.015 30 10 GBEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 1324901289 GMGYRCBMDWAORK-QGZVFWFLSA-N 390.421 -0.326 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1328723949 KWUJNYMYPRZMKT-FZMZJTMJSA-N 386.857 -0.017 30 10 GBEE COC1CC(CCNC(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1331446404 GXQNYSLYSJXWLN-UHFFFAOYSA-N 375.385 -0.865 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCO[C@@H](CNC(=O)NC)C1 1340347079 ZHQSDHHODFTCGV-KBPBESRZSA-N 379.465 -0.399 30 10 GBEE C=C[C@H](O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCOC 1341637481 UZGIVSILNRLELH-HNNXBMFYSA-N 378.477 -0.112 30 10 GBEE C#CCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2O)cc1 1343371513 MWUXJYLVNDTNHQ-TWMKSMIVSA-N 385.420 -0.488 30 10 GBEE CN(CCNS(C)(=O)=O)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1346245835 UKONRRLAHRIHGY-AWEZNQCLSA-N 382.442 -0.942 30 10 GBEE Cc1nc2cc(O)nn2c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439799496 ZISZIWVSVORLID-YVEFUNNKSA-N 389.437 -0.009 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 1463913469 BCXZERKOUWRQPZ-QWHCGFSZSA-N 397.419 -0.207 30 10 GBEE N#Cc1ccc(C(=O)NCC(=O)NCCS(=O)(=O)C2CCOCC2)cc1 1468208688 FUYYCEHTVSPUHI-UHFFFAOYSA-N 379.438 -0.002 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1 1508071527 ADLKJGGZZPAGRL-NEPJUHHUSA-N 386.478 -0.584 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)CCOc1ccc(S(N)(=O)=O)cc1 1623721230 HBPOIYUPIMQIOG-UHFFFAOYSA-N 376.456 -0.180 30 10 GBEE C#CCC1(O)CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1633141123 RUUMWGNDNKPANL-CYBMUJFWSA-N 381.454 -0.471 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)c1 1644940572 ZCITXERYVDRSOI-CYBMUJFWSA-N 399.494 -0.391 30 10 GBEE COc1cc(C#N)ccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1650748709 BWMFXMKFFMXRMR-GJZGRUSLSA-N 379.438 -0.517 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C1 1702193538 VCBDTDFUAPPZMJ-NHIYQJMISA-N 388.486 -0.520 30 10 GBEE C#CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C1 1733580865 IXMDGHLMNIYTAL-IYYNEKPFSA-N 375.469 -0.434 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC 1760206298 VVBMWJHMQBAEGV-OAHLLOKOSA-N 395.485 -0.280 30 10 GBEE Cn1c(=O)ccn(C2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)CC2)c1=O 1855682539 MADZZIGWTPWCJX-CQSZACIVSA-N 387.440 -0.137 30 10 GBEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CCn3cncn3)C2=O)C1 1857114099 GKRSGTOMZJFFID-OAHLLOKOSA-N 381.396 -0.174 30 10 GBEE C#CCN1CCC[C@H](NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2204037541 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30 10 GBEE CC(C)[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1CCCS1(=O)=O 530271824 MUBAWJCVLKBCBO-ZDUSSCGKSA-N 395.441 -0.736 30 10 GBEE COCCOCCN1C(=O)C[C@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 545501901 YQSXRTRFSILISQ-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cncc(C(=O)OC)c2)CC1 583602141 NULQTZSCXBAJNO-UHFFFAOYSA-N 382.442 -0.523 30 10 GBEE N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCO[C@H](CC(N)=O)C3)C2)nc1 599559197 RUPLFEOVXZQEJD-UONOGXRCSA-N 387.396 -0.964 30 10 GBEE C=CCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 616583331 PRSVMSRDBOXABR-JZAWBGDQSA-N 387.385 -0.155 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC(C)(C)OC[C@@H]2CC)CC1 652506958 PMVWHBULECUHSQ-HNNXBMFYSA-N 380.489 -0.151 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)c1 735431555 DPJHKORTACYRSO-ZDUSSCGKSA-N 378.414 -0.122 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1=O 754792111 AYFOXXLYNGMCFR-HRCADAONSA-N 392.456 -0.231 30 10 GBEE C#CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 774680656 YZFQRUHNSJZSAA-IAGOWNOFSA-N 380.514 -0.199 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnn2CC(F)(F)F)CC1 831579969 TUWROFXEGLMFBJ-UHFFFAOYSA-N 379.364 -0.329 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CC(=O)N(CC)C2)n1 846742238 PVZWRYRAKMOCHF-OAHLLOKOSA-N 389.456 -0.524 30 10 GBEE C#C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C1CCOCC1 1118467394 FFZLDBLQERAYBP-CQSZACIVSA-N 383.401 -0.044 30 10 GBEE C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 1121530780 PLZBPQVDNFKTTG-CQSZACIVSA-N 398.533 -0.109 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(C(=O)OC)o2)CC1 1152974526 VAARENGQXFHICO-ALCCZGGFSA-N 381.410 -0.309 30 10 GBEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(O)C2=O)C1=O 1159323285 AAASDWUTTPARGM-SGTLLEGYSA-N 390.396 -0.123 30 10 GBEE C#CCN(C)CCCNC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1160103566 NQYYCBIXMGRVFM-UHFFFAOYSA-N 386.456 -0.208 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 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PAMSTDIDDFSAGD-ZNMIVQPWSA-N 379.486 -0.172 30 10 GBEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNS(C)(=O)=O 1543315991 SRZYXHWRDCUUOA-UHFFFAOYSA-N 390.473 -0.271 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCC(=O)NC2=O)C1 1573199372 XXKUBTDEWIXXKZ-YJNKXOJESA-N 392.456 -0.080 30 10 GBEE N#CCc1ccccc1S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1661387497 HBHXTGUGFXTNPC-CYBMUJFWSA-N 385.467 -0.276 30 10 GBEE N#CCNC(=O)CN1CC[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C1 1671080351 IQIVNIAQXXQXOB-BVYOLEPJSA-N 376.457 -0.398 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C(C)(C)C 1686002695 UDENYCCIYYKMTJ-RDBSUJKOSA-N 376.457 -0.464 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1O 1702180804 SUZQSVBBGBZWKQ-YJNKXOJESA-N 379.457 -0.476 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1705494372 ZBSISMPXJIAEQY-CHWSQXEVSA-N 383.474 -0.252 30 10 GBEE C=C[C@](C)(O)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1718221122 YGPSKZPJXYUNPO-KMCQBPLKSA-N 382.457 -0.555 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]2C1 1739386147 UCBAFPZJVMUNMY-YJNKXOJESA-N 385.486 -0.472 30 10 GBEE CNC(=O)[C@@H](C)CN(C)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1769117893 KSYPSEFITPVUGB-QPQCVSCISA-N 375.433 -0.069 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C(C)(C)C2=O)CC1=O 1856752257 UQTCLDPDIRFBKA-ZIAGYGMSSA-N 397.497 -0.343 30 10 GBEE C=C[C@]1(CO)COCCN1C(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2199847079 BHRVZPFVAJNBSP-NPSOMJIGSA-N 386.445 -0.507 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)O 2200862210 NLHKGDHFIVPJPG-VOAKCMCISA-N 385.417 -0.019 30 10 GBEE CC1(C)OB(c2cnccc2C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2281798324 GYNSGVJZWKBFRH-STQMWFEESA-N 382.247 -0.732 30 10 GBEE CN(CCN(C)S(C)(=O)=O)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281927125 WABVUHLMPCATRO-UHFFFAOYSA-N 386.283 -0.328 30 10 GBEE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282034611 KPOSBVAFSLNSEO-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CC[C@H]1NCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282317671 UVTVNNJKXVHMMU-MNOVXSKESA-N 385.299 -0.467 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](F)[C@@H](CO)C1 2282333108 KRHNIHNUKUIJFZ-MNOVXSKESA-N 389.258 -0.330 30 10 GBEE COCCOCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282835771 BDAFWKWMADSAEQ-UHFFFAOYSA-N 390.271 -0.944 30 10 GBEE C[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@H](O)C(=O)O 2284396501 VTMDLJPPRCOSNF-CABZTGNLSA-N 386.235 -0.507 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC([C@H](O)CO)C2)OC1(C)C 2361916050 MXBJEWDOKDKXMQ-CQSZACIVSA-N 383.275 -0.041 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CS(C)(=O)=O)C1 2362343526 HMBZBLYCWBPJHI-UHFFFAOYSA-N 383.279 -0.164 30 10 GBEE CN([C@@H]1CNC[C@H]1F)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2369652216 JZOKCPIDUVBVOT-VXGBXAGGSA-N 388.274 -0.350 30 10 GBEE N#Cc1ccc(N2CCN(CCCO)CC2)nc1N1CCN(CCCO)CC1 276559460 ZMQXESPZKASNLC-UHFFFAOYSA-N 388.516 -0.038 30 10 GBEE C#CCNC(=O)C1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 368825087 TYTXZXMGYLOMKY-SFHVURJKSA-N 378.517 -0.079 30 10 GBEE C=CCOC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)OC 481591495 LOIBMLQFDYPKDF-CYBMUJFWSA-N 398.503 -0.678 30 10 GBEE CN(C)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1=O 593622707 SGYYCHKUKMPULV-UHFFFAOYSA-N 381.414 -0.139 30 10 GBEE C#CCN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 731213615 IJQNABQTLNEDNS-HNNXBMFYSA-N 398.506 -0.171 30 10 GBEE CN(C)S(=O)(=O)N1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 811863074 OXQNMJFNMOCREU-UHFFFAOYSA-N 387.487 -0.476 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC3(C2)OCCO3)c1 848954056 XDEFGMQBKBNEEK-UHFFFAOYSA-N 387.439 -0.374 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)CC1 1120333872 NINFWJPGDYHZSG-RBZJEDDUSA-N 391.501 -0.445 30 10 GBEE N#Cc1ccc(N2C[C@H](C(=O)NCc3nnc4n3CCNC4=O)CC2=O)cc1 1288370808 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DPLQXFOXASZPCV-HZPDHXFCSA-N 388.472 -0.160 30 10 GBEE C#CCN(C(=O)c1c2c(nn1C)CCS(=O)(=O)C2)[C@H]1CCS(=O)(=O)C1 1352905113 LLEKFKOESCDLQR-NSHDSACASA-N 385.467 -0.847 30 10 GBEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358962834 YCADYKVHVFTHJR-IHRRRGAJSA-N 395.485 -0.109 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)CC 1358981296 DNPXJTOEMYPXLM-UHFFFAOYSA-N 377.470 -0.092 30 10 GBEE C=CCOC[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OC 1448491927 CRKLFUMZLPPFIH-ZDUSSCGKSA-N 399.444 -0.074 30 10 GBEE C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1OCC 1479542750 QZNIVKUKGCFCNA-QKPAOTATSA-N 378.473 -0.910 30 10 GBEE C=CC1(CC(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 1557691705 BMHGANDQPMDMPQ-TXEJJXNPSA-N 380.445 -0.155 30 10 GBEE C#CCN1CCC[C@H](NC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)C1 1595789706 AGOHVUMDMIJJFG-VNHYZAJKSA-N 385.511 -0.010 30 10 GBEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OC 1638833078 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C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O 365560185 UMZUQXXROVJYNU-ZDUSSCGKSA-N 392.412 -0.939 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC(COC)CC2)CC1 422522179 VUPCJKOMCRHYAG-UHFFFAOYSA-N 380.489 -0.246 30 10 GBEE CN1CC[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 425899209 CDQWCMVKHZYNTC-CQSZACIVSA-N 384.440 -0.414 30 10 GBEE CCc1nn(C)c(OC)c1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 527840687 CGRGNRMAUXOLEV-UHFFFAOYSA-N 387.400 -0.108 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)c1 576359021 CLIJFOHOIFDZJO-CYBMUJFWSA-N 386.455 -0.660 30 10 GBEE CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CC1=O 577530157 DCTVQZJXXWOJET-UHFFFAOYSA-N 386.455 -0.707 30 10 GBEE CC1(C)OB(c2ncc(CNC(=O)CNS(C)(=O)=O)s2)OC1(C)C 718796996 KLODWFBZVNMJKG-UHFFFAOYSA-N 375.281 -0.392 30 10 GBEE C#CCN(C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)[C@H]1CCS(=O)(=O)C1 729333966 DOHADOBRDLAVMR-HIFRSBDPSA-N 388.449 -0.026 30 10 GBEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 803697669 NVUHFNCTYARGAP-INIZCTEOSA-N 380.466 -0.476 30 10 GBEE C#C[C@H]1COCCN1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 839195137 QBFFTLCFTORFBC-LPHOPBHVSA-N 399.447 -0.169 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1 1118919591 KSJAIZBRCSLDHR-PXDWDHHDSA-N 387.440 -0.915 30 10 GBEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1121511156 ZWQYXFJBCVSRHZ-HOTGVXAUSA-N 391.520 -0.152 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1194096087 BGPJXSIRAVFYDJ-UHFFFAOYSA-N 388.427 -0.631 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1COCCN1CC(F)(F)F 1256737970 AHSXQURNFVYBDC-XUXSRRMHSA-N 376.335 -0.108 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 1312055571 QZJNFCUGWLAWNB-GJZGRUSLSA-N 399.517 -0.429 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC1 1327391229 LZEZVCLFSKRIRN-CQSZACIVSA-N 389.412 -0.375 30 10 GBEE C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1CCCCC1 1327766165 GZJFCAKNAIDTPJ-UWZWCOGJSA-N 377.445 -0.380 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 1332645987 SNUJZTAYWUGUGZ-CABCVRRESA-N 375.381 -0.550 30 10 GBEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)C1 1333655445 NQIBIQAHAOPCDN-ZRGWGRIASA-N 388.472 -0.505 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCn1c(O)nnc1O 1347641841 JQAUOUHHMMYYSP-UPJWGTAASA-N 379.417 -0.080 30 10 GBEE C=CC(C)(C)CCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1348169448 WATQLBAFBZYTQS-UHFFFAOYSA-N 378.473 -0.002 30 10 GBEE CNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1472036767 YULMUHPTUYPDEX-WFASDCNBSA-N 383.451 -0.395 30 10 GBEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1507605644 UQOAQNQBZLUJHD-UHFFFAOYSA-N 391.457 -0.114 30 10 GBEE Cn1ncc(I)c1CNS(=O)(=O)N1CC(C#N)C1 1973122305 IKIGROFJWTVBGS-UHFFFAOYSA-N 381.199 -0.186 30 10 GBEE C=CCC[C@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282292261 SEJFWIWERSQCGN-LLVKDONJSA-N 386.283 -0.280 30 10 GBEE Cc1nc(S(=O)(=O)N[C@@H](CO)[C@H](C)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510955 GZVUPGACMSUVOD-ONGXEEELSA-N 389.283 -0.952 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H](N)CC1 2282867512 ABEYOEJGNOJQHA-LLVKDONJSA-N 385.299 -0.384 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](CC(N)=O)C(=O)O 2284451708 UZPVFVQAKLUNTP-MRVPVSSYSA-N 383.235 -0.191 30 10 GBEE CC#CC(=O)N1CCN(S(C)(=O)=O)C[C@H](Cc2cc(N(C)C)ncn2)C1 2296569581 LPBYEVHFSNFILM-CQSZACIVSA-N 379.486 -0.172 30 10 GBEE C#CCNC(=O)CCNC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2313908279 IWDWCADCXYJWNQ-LLVKDONJSA-N 375.447 -0.820 30 10 GBEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CCS(=O)(=O)N2)OC1(C)C 2337334563 OAIQXOGWJRACDO-SECBINFHSA-N 387.292 -0.136 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(CCN(C)C)CC2)CC1 114923077 XFWHCOAOOUZHMB-UHFFFAOYSA-N 380.537 -0.358 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@@]2(CCNC2)C1 423548343 QTDSPZQXEDKQQC-YWZLYKJASA-N 397.483 -0.013 30 10 GBEE CN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 533606203 JNUXNPQNHVHTPW-CQSZACIVSA-N 399.494 -0.433 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCNc2ccccn2)CC1 550916064 AWAMGNBNSHFYGE-UHFFFAOYSA-N 388.472 -0.554 30 10 GBEE Cc1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cc1S(=O)(=O)NCC#N 597993276 FNQFNKISHQXADJ-QGZVFWFLSA-N 397.453 -0.305 30 10 GBEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O 783955019 JNONQOSMMUYIHM-UHFFFAOYSA-N 382.430 -0.331 30 10 GBEE C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)O[C@H](C)C(=O)NCC#C)C1 840647107 XQVYWVBAEAMALZ-NMWPEEMBSA-N 376.409 -0.235 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCC(C)(C)O2)CC1 933889795 FJECPFUUKGHWEG-OAHLLOKOSA-N 380.489 -0.103 30 10 GBEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1134645862 XNSVOAXSZNVGOR-BNIMDDLWSA-N 393.465 -0.053 30 10 GBEE C#CC1(O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1167535180 LTXLMPWFNCASFV-HNNXBMFYSA-N 375.400 -0.285 30 10 GBEE N#Cc1cccnc1NCCNC(=O)C(=O)NCCN1C[C@@H]2CCCCN2C1=O 1261685037 ZEAMEUKURSKWRV-HNNXBMFYSA-N 399.455 -0.112 30 10 GBEE C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1261767894 PEFLIIHCWGXURS-CYBMUJFWSA-N 378.404 -0.110 30 10 GBEE CC(=O)N[C@H](CCC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC(C)C 1282627248 URHDGUFDZGTJAT-WCVJEAGWSA-N 376.457 -0.336 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 1322604552 FFARAQBPVPIPDV-INIZCTEOSA-N 380.489 -0.151 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@H](N2CCCC2)C1 1323418700 CEHVVPHQUKKMKM-VUAZUDAXSA-N 389.456 -0.284 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cn2cc(C)ccc2n1)[C@@H]1CCS(=O)(=O)C1 1327761845 QYNFDKSZFHQTQH-OAHLLOKOSA-N 388.449 -0.092 30 10 GBEE N#CC1(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCOCC1 1327860914 ZVGMUUSUQQDJMF-UHFFFAOYSA-N 376.413 -0.483 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC(C)(C)O1 1329874000 OVPLLWAWTOZZGO-JTQLQIEISA-N 375.385 -0.770 30 10 GBEE CS(=O)(=O)CCn1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 1335851657 NEGLEAAFLGDKSB-ZDUSSCGKSA-N 394.457 -0.935 30 10 GBEE C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1344225745 ZJCRCJWNYGZETQ-PYOGLGTISA-N 377.441 -0.812 30 10 GBEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358910466 QCPWCEYQTDPMOZ-CQSZACIVSA-N 394.439 -0.314 30 10 GBEE C=CCOCCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1470446721 WLFHQEWAOKZKCC-UHFFFAOYSA-N 376.456 -0.313 30 10 GBEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1526903103 BOFYQGMAAUEDCS-HNNXBMFYSA-N 378.454 -0.638 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595555957 LFSFMQLHHGJGQO-LBPRGKRZSA-N 375.433 -0.385 30 10 GBEE C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1689684075 OWBYOLSNQWKVKV-QSAAJNHFSA-N 385.464 -0.016 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690669277 ZYKNKJFHZBLBQB-GFCCVEGCSA-N 391.457 -0.339 30 10 GBEE C#CCN(c1nnc(COCC)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1740628944 WSAOVROIZIBTIR-CQSZACIVSA-N 397.501 -0.080 30 10 GBEE N#CCC(=O)N1CC[C@@H](N2CCN(c3nnnn3-c3ccccc3)CC2)C1=O 1855619285 IYKOJFPLTPEELQ-OAHLLOKOSA-N 380.412 -0.175 30 10 GBEE CN(C[C@H]1CC(=O)N(C(=O)C2CC(=O)C2)C1)C1CN(c2nccnc2C#N)C1 1856241267 DLPJFOHQGYRSOX-GFCCVEGCSA-N 382.424 -0.177 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N[C@H](CS)C(=O)O 2059668577 WKJSSHJBXSMZRS-NXEZZACHSA-N 396.487 -0.090 30 10 GBEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NS(=O)(=O)N1CC[C@H](C#N)C1 2126801777 MVDPDTZNLDCAJX-SNVBAGLBSA-N 385.450 -0.236 30 10 GBEE CC(C)(C)OC(=O)N1CCC(c2nc(=NC(=O)C(=O)NCC#N)[nH][nH]2)CC1 2185279616 MXNDACUAVGKJJV-UHFFFAOYSA-N 377.405 -0.081 30 10 GBEE N#C[C@H]1CNCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249450689 HLWSENKMLXUUAS-KBPBESRZSA-N 396.425 -0.507 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]43)[nH]n2)OC1(C)C 2281981553 ZLQIZEPUXROUGH-PWSUYJOCSA-N 381.263 -0.032 30 10 GBEE 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C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)CC1 874382630 IEEVCVXUEYKWAP-JKSUJKDBSA-N 379.457 -0.229 30 10 GBEE C=C1[C@H](C(=O)N2CCO[C@@]3(CCOC3)C2)[C@H]1C(=O)N1CCO[C@]2(CCOC2)C1 907438420 OIQHYOMGDLQCKQ-CPLUKWAASA-N 392.452 -0.176 30 10 GBEE C#CCN(C(=O)c1cn(CC(=O)OC(C)(C)C)nn1)[C@H]1CCS(=O)(=O)C1 1125954556 YODFWAZJBASJPU-LBPRGKRZSA-N 382.442 -0.118 30 10 GBEE C=C(C)C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1153313009 FJOQORCMFHPGPM-CQSZACIVSA-N 381.454 -0.136 30 10 GBEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCC(=O)NCC#N)CC1 1248537561 SOIBTCDEBMQCNF-UHFFFAOYSA-N 382.465 -0.086 30 10 GBEE C[C@]1(C2CC2)CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1261697543 PHCMSLFNILQMJE-LGHUBQEGSA-N 376.413 -0.344 30 10 GBEE C#CCN(C(=O)C(=O)N1CC[C@@H](C(=O)OC)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1327272547 LPHJRWIEFFQJIU-MELADBBJSA-N 384.454 -0.707 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1328597200 YVONIQFKQRDDFF-QGZVFWFLSA-N 399.447 -0.231 30 10 GBEE 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C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCNC(=O)CC1 1722727033 FJUUCNNELBVMDH-CYBMUJFWSA-N 383.474 -0.291 30 10 GBEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)C1 1740992912 VTJYHHPSPDMYLG-ZDUSSCGKSA-N 383.474 -0.339 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O 2060136426 ZJMGEYBETFHBNK-UTUOFQBUSA-N 375.447 -0.152 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N[C@@H](CCS)C(=O)O 2064114220 SROHCIHVGPPNSG-NAKRPEOUSA-N 378.447 -0.393 30 10 GBEE Cn1cc(C(=O)NC2[C@H]3CS(=O)(=O)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2282046914 RMNWDUNBJJKENR-UWVGGRQHSA-N 381.263 -0.508 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CNC(=O)O1 2282338507 RNVDTSPKCDJAFD-VIFPVBQESA-N 386.239 -0.894 30 10 GBEE CN(Cc1ncon1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282855134 ZUFSMRQMTGFNJY-UHFFFAOYSA-N 383.239 -0.077 30 10 GBEE CN(C1(C(=O)O)CC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2284409298 HKMJDOLTBCVJLQ-UHFFFAOYSA-N 385.251 -0.043 30 10 GBEE CC1(C)OB(c2cnc(N3CCN(CCO)[C@H](C(=O)O)C3)nc2)OC1(C)C 204879736 RYQFJEFVUSHEAI-ZDUSSCGKSA-N 378.238 -0.657 30 10 GBEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 273407800 KCASKLWXCCGFFO-JSGCOSHPSA-N 399.469 -0.009 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 279535218 QKAREVQKUQXFPC-QGZVFWFLSA-N 390.421 -0.588 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(CS(C)(=O)=O)c2)C1=O 299504928 HJRINGOQMVHVMQ-UHFFFAOYSA-N 393.421 -0.176 30 10 GBEE CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 368149342 ARNSYUJJIYXWOM-UHFFFAOYSA-N 397.432 -0.023 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3C[C@@H](O)C34CCC4)n2)cc1 595181722 HAIDMNHKPQDPCL-HUUCEWRRSA-N 380.408 0.556 30 10 GBEE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)Cc1ccc(CC#N)cc1 599506746 KGEUONNYVZLYJL-HNNXBMFYSA-N 387.483 -0.168 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 658446942 JSWJTLGALMZXEN-UHFFFAOYSA-N 393.444 -0.225 30 10 GBEE CC(=O)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2C#N)CC1 742405847 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30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(F)F)[C@H](CC)C1 1327401980 DYBMCXYGEXKVOR-GFCCVEGCSA-N 381.445 -0.109 30 10 GBEE C#CCN(C(=O)C(=O)NCCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1327457830 DQQQUTNOQHQWNE-CQSZACIVSA-N 388.449 -0.199 30 10 GBEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1338895568 QPNQQIOLAPMBQN-BFHYXJOUSA-N 384.506 -0.328 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)CC1 1455115142 MROUJXNWCQFVGQ-UHFFFAOYSA-N 395.470 -0.918 30 10 GBEE N#CCNC(=O)CN1CCOC2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1485009889 MPFQJHKLMYUCRO-OAGGEKHMSA-N 376.457 -0.113 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1490720525 UTJRCQHNTDYSNH-RDBSUJKOSA-N 378.429 -0.279 30 10 GBEE N#Cc1cn(CCC(=O)NCC(=O)N2CCc3ccccc3C2)c(=O)nc1O 1611118932 FTPZUUPVTAJNRH-UHFFFAOYSA-N 381.392 -0.088 30 10 GBEE N#Cc1cn(CC(=O)NCc2ccncc2OC[C@H]2CCOC2)c(=O)nc1O 1625574270 COUXAWATCJARLA-LBPRGKRZSA-N 385.380 -0.053 30 10 GBEE 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N#Cc1cn(C2CN(C(=O)CCNC(=O)Cc3ccccc3)C2)c(=O)nc1O 600832078 UKFPRUHVCOMYPS-UHFFFAOYSA-N 381.392 -0.047 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC23COCCN2CCOC3)c1 820370796 OIHDROPSVWTYOJ-UHFFFAOYSA-N 393.465 -0.571 30 10 GBEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3c2CCC3)c(=O)n1C1CC1 853455610 FIOMJJPVUXPTSO-UHFFFAOYSA-N 399.476 -0.347 30 10 GBEE C=CCc1ccc(OC[C@@H](O)CN2CCN3[C@H](CNS3(=O)=O)C2)c(OC)c1 933104747 WZNLIOOHOKVYIQ-CVEARBPZSA-N 397.497 -0.002 30 10 GBEE CC(C)(C)C(=O)Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1 1134429046 MDTSOWILHOHITQ-MEDUHNTESA-N 379.442 -0.096 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1O 1281672155 AXNVDZUVVFQVIP-LHHMISFZSA-N 393.484 -0.038 30 10 GBEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@@]4(CO)C3)C2=O)cc1 1323412680 CQKCKJJCZCWKIM-FTRWYGJKSA-N 382.420 -0.384 30 10 GBEE COC(=O)[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1328361049 AMQZTPBWLPOQNG-DOHQZPLHSA-N 378.385 -0.961 30 10 GBEE C=CCn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CCN([C@@H]2CCOC2)CC1 1339138660 ZQPMXFNHMPWZFL-CHWSQXEVSA-N 375.433 -0.402 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 1342919600 OTBGCHLXIFMERY-ARKGTOAJSA-N 387.436 -0.287 30 10 GBEE C=CCn1c(Cc2ccnc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1356111151 ASYJWJMQHOPGLB-OAHLLOKOSA-N 381.440 -0.095 30 10 GBEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ncn(C)n1 1359240541 RAPWQJCMDCYEMV-GFCCVEGCSA-N 396.477 -0.590 30 10 GBEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCNS(C)(=O)=O 1539378007 ZJOIZTGTRJOEOF-UHFFFAOYSA-N 382.490 -0.201 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540868818 SSPQOPJQZVPDMU-TZMCWYRMSA-N 384.444 -0.304 30 10 GBEE N#C[C@@]12CN(C(=O)NCCN3CCC4(C3)OCCO4)C[C@H]1CS(=O)(=O)C2 1565385496 JTSAPIRJMYBQLL-ZFWWWQNUSA-N 384.458 -0.985 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1586759808 WPDWULDOFZQTCY-ZNMIVQPWSA-N 385.486 -0.975 30 10 GBEE CC(C)(C)C(=O)Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1 1626655834 MDTSOWILHOHITQ-ZBEGNZNMSA-N 379.442 -0.096 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 1636475837 ZEJFXEKCLFTXFC-UHFFFAOYSA-N 392.437 -0.443 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 1640201374 DORXCIJFHINTIT-UHFFFAOYSA-N 383.452 -0.175 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1O 1735783829 CPEAPPISAINNNF-TUVASFSCSA-N 378.429 -0.020 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)CC 1748825373 VOBDHWBGWHAKDA-UHFFFAOYSA-N 380.474 -0.572 30 10 GBEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2S(=O)(=O)CCC#N 2063604598 APYQBSMBPNLKIG-UHFFFAOYSA-N 393.487 -0.050 30 10 GBEE CC1(C)OB(c2cccnc2C(=O)NC[C@H]2CCS(=O)(=O)N2)OC1(C)C 2282190381 PYHROSJXBAYKIW-LLVKDONJSA-N 381.263 -0.198 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(O)C1CCOCC1 2282320116 DBGJOLLWXHFNIV-UHFFFAOYSA-N 388.255 -0.327 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]3(CO)CCNC3)cc2)OC1(C)C 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390.444 0.140 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)C(=O)C3)CC2)c1 459894514 FLOBNQUQIKSLIZ-UHFFFAOYSA-N 382.424 -0.565 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 570127564 ZYCXDSLVKWTWPN-GJZGRUSLSA-N 377.489 -0.826 30 10 GBEE C=C(CNS(=O)(=O)[C@H]1CCO[C@@H]1C)CNS(=O)(=O)[C@@H]1CCO[C@@H]1C 660129330 PYYONZROQRQBEW-SYQHCUMBSA-N 382.504 -0.264 30 10 GBEE Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nc2c1c(=O)n(C)c(=O)n2C 737555224 OJDJXWBPOQMCGN-CYBMUJFWSA-N 382.424 -0.247 30 10 GBEE C#CCN(C(=O)NCCCN1CCC[C@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 774220834 WBZUZDQGNGJPTA-LSDHHAIUSA-N 384.502 -0.594 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](CC)O[C@]3(CCOC3)C2)c1=O 794692462 GGECZRUBLMXFPQ-HNAYVOBHSA-N 392.456 -0.229 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(C(=O)CC)C2)n1 807840373 AOWLOTYMVMYNGW-OAHLLOKOSA-N 389.456 -0.382 30 10 GBEE C#C[C@H]1COCCN1C(=O)CSc1n[nH]c2nc(NCC)nc(=NCC)n12 838271372 STZBJDQMPBDAJD-NSHDSACASA-N 390.473 -0.243 30 10 GBEE 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377.441 -0.763 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1301967805 HDBXATHPDSVTPH-CKEIUWERSA-N 396.517 -0.157 30 10 GBEE C#CCN(C(=O)C(=O)NCC1(CN(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1323358851 XADDNELUEUSHAA-OAHLLOKOSA-N 383.514 -0.127 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1326694069 QSXCCKWZTPBDCI-CQSZACIVSA-N 396.469 -0.506 30 10 GBEE Cn1cc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1327077090 GZPYIXBMXOWSCT-KRWDZBQOSA-N 394.435 -0.132 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1327295672 UEQZCEDMEQFMEG-UONOGXRCSA-N 383.412 -0.978 30 10 GBEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1331569431 GBLHBYJQIZGJSC-HOCLYGCPSA-N 388.490 -0.338 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(C2CS(=O)(=O)C2)C1 1332590247 APVWIGRJQVKIHO-LLVKDONJSA-N 397.478 -0.272 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)NCC)CC2)n1C[C@H]1CCCO1 1344629355 VQENXVYGIJMBCO-HUUCEWRRSA-N 378.477 -0.065 30 10 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10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301498255 MENNCPFHPQQNMF-SGTLLEGYSA-N 389.460 -0.506 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 1325211249 UEXNVPDHLAZTDO-QGZVFWFLSA-N 399.447 -0.095 30 10 GBEE C#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 1337896112 TXSLKMDLFYRUBE-UHFFFAOYSA-N 384.436 -0.391 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CO)(CO)CC3)CC2)o1 1460743089 GUOPRGISFSJRTF-UHFFFAOYSA-N 377.445 -0.430 30 10 GBEE C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191423 FIUDECOAUDOIHS-LRCAOYNASA-N 383.470 -0.561 30 10 GBEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)C1CCOCC1 1538760817 HKDOONNLMUMIMA-SLEUVZQESA-N 390.483 -0.635 30 10 GBEE COC(=O)C1CCN(C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1560168367 JEUBXXPSHVIKSO-JDFRZJQESA-N 383.470 -0.343 30 10 GBEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1625174084 BMMUAFCCPGXGCE-UHFFFAOYSA-N 385.380 -0.599 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 1633712746 ICWOALHSOJTVGY-GDBMZVCRSA-N 386.474 -0.881 30 10 GBEE CN1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)C1 1696875250 CDLMOXHKIAAOPN-OAUYIBNBSA-N 377.424 -0.262 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccoc2C)C[C@H]1O 1735784355 QLSWJMMKCHTWTL-FPCVCCKLSA-N 391.424 -0.403 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N(C)C)CC1 1760251604 CYEBKTZVYTUMHL-UHFFFAOYSA-N 387.488 -0.252 30 10 GBEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cn(C)nc2OC)C1=O 1854240863 HOOYCMFGCGSHQS-KBPBESRZSA-N 375.429 -0.112 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(S(C)(=O)=O)C2)n1 2282035241 SJJAKMHCNFDVGF-UHFFFAOYSA-N 384.267 -0.907 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](O)(CO)[C@H](O)C3)s2)OC1(C)C 2282205184 ODOOZUPHXJWNTD-SJKOYZFVSA-N 383.275 -0.023 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1N 2282309582 HREVUGJQJVLXAK-QWRGUYRKSA-N 385.299 -0.338 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@H](O)[C@@H](O)C3)c2)OC1(C)C 2282347097 SSLAIJJVZZXFBZ-KBPBESRZSA-N 384.263 -0.503 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCNC(=O)C1 2282350751 RIRYIICZJDRUDH-SNVBAGLBSA-N 384.267 -0.724 30 10 GBEE CC[C@@](C)(NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282502590 NIDVJKUBGVZLMB-OAHLLOKOSA-N 386.283 -0.348 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N[C@H]2C(=O)NC[C@H]2C(=O)O)OC1(C)C 2284488402 UOZATRQFCDELIX-VXNVDRBHSA-N 381.219 -0.629 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@H](CCS)C(=O)O 2299059950 ISJQDZGECDDFHF-BDAKNGLRSA-N 384.476 -0.186 30 10 GBEE C[C@@H](O)CN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 329463513 UJTONXXNYJPILG-CYBMUJFWSA-N 380.536 -0.723 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)CC1 349486502 VWUYTQXBKJYAKA-AGIUHOORSA-N 377.488 -0.473 30 10 GBEE CN(C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 582244494 CXVPZXVYMJSCOO-OAHLLOKOSA-N 375.414 -0.329 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CNc1ccc(C#N)cc1 598909801 GBZFXOXGJYRQOA-KBPBESRZSA-N 385.380 -0.336 30 10 GBEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 788694958 ABBXJHYMCTYIAB-UHFFFAOYSA-N 379.442 -0.209 30 10 GBEE C[C@H](C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1)n1cnc(C#N)n1 798746256 ZBTLVLSCKAJPJF-GFCCVEGCSA-N 386.368 -0.168 30 10 GBEE O=C(C#CC1CCNCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 852843156 RQZWZUVCGVSVFU-UHFFFAOYSA-N 380.426 -0.008 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 875359080 JDPNQYRNLYIYIW-AWEZNQCLSA-N 378.404 -0.172 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](c3nccs3)C2)CC1 910551252 WJRNIKSJDYEBSO-AWEZNQCLSA-N 391.497 -0.095 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C2CC2)[C@H]2CCCOC2)CC1 932788774 JKKOCRLINKYZQA-WMZOPIPTSA-N 392.500 -0.246 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1OC 941975014 CVQMPZHBLAKDGS-HWMZRRJGSA-N 377.445 -0.009 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1nc2c(s1)CCC2)[C@H]1CCS(=O)(=O)C1 1119843103 KSYAZERKMZFVFT-LBPRGKRZSA-N 395.506 -0.061 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12)[C@@H]1CCS(=O)(=O)C1 1119909314 UEQZGDXCTTYUKW-RBSFLKMASA-N 399.538 -0.669 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@]1(C(F)(F)F)CCCN1)[C@H]1CCS(=O)(=O)C1 1262550693 ALOLBVHOBNPXTC-FZMZJTMJSA-N 395.403 -0.564 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCOCC(F)(F)F 1321433089 GAPORAOSJVJRFY-KHPPLWFESA-N 378.307 -0.676 30 10 GBEE Cn1c(=O)oc2ccc(CNC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc21 1329406963 OTOOBVXCZWQTJH-CQSZACIVSA-N 383.408 -0.054 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1331313404 ZXERZSLKIYUXKZ-IAGOWNOFSA-N 390.484 -0.608 30 10 GBEE CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](C#N)CO)(S(C)(=O)=O)CC1 1347796756 NYYBUDJJXWPALR-LLVKDONJSA-N 375.447 -0.199 30 10 GBEE COC(=O)[C@H]1CCCN(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 1585297671 WNADJAWOKMLIKJ-AKCBPTIMSA-N 378.385 -0.959 30 10 GBEE C#CC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1620645762 HXCRYSACETXFMF-UHFFFAOYSA-N 397.884 -0.147 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 1644285113 IOGMQBDNRHAYBQ-AWEZNQCLSA-N 385.490 -0.819 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 1666369045 FKPAJQFOWOCSLI-DOMZBBRYSA-N 390.462 -0.583 30 10 GBEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 1683177443 XSMASVOVORPHTB-UHFFFAOYSA-N 399.448 -0.166 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCNS(C)(=O)=O 1705900987 WWDRMNCUGBZNCR-UHFFFAOYSA-N 394.461 -0.977 30 10 GBEE C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCN1C(=O)CNC1=O 1736467936 MBQKDJAEDRDRSL-RDBSUJKOSA-N 378.429 -0.231 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1OC 1739593307 CWTIYHUPAVCGRU-HGTKMLMNSA-N 391.424 -0.058 30 10 GBEE C=CCCN1CC[C@H](N2CCN(C(=O)CN3CCCS3(=O)=O)C(=O)C2)C1 1854354261 HYUYVIMOMKBMKM-HNNXBMFYSA-N 384.502 -0.657 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCN3C(C)=O)CC2=O)CC1=O 1854764316 XVFOXMRKJMNWTJ-HOTGVXAUSA-N 376.457 -0.297 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@](C)(N)CO)OC1(C)C 2267469790 ZZAODJNIBDUOQW-AWEZNQCLSA-N 391.324 -0.429 30 10 GBEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NC(CN)CN)OC1(C)C 2282420931 HAZIHHUKDSRVPV-UHFFFAOYSA-N 391.249 -0.172 30 10 GBEE Cn1nc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282543909 MEAFYRRJLPXJLY-ZJUUUORDSA-N 385.657 -0.060 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)OC1(C)C 2282616937 GPHYWXOMNWDVBL-IUCAKERBSA-N 377.231 -0.213 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]12CNC[C@@H]1C2 2282833570 IVHRJSYDYOCFTC-BONVTDFDSA-N 383.283 -0.998 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@@H](C)N1 2282835031 ZRPHYZDANBMQHO-PHIMTYICSA-N 385.299 -0.515 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CNC[C@H]3O)cc2)OC1(C)C 2282855801 JMVMUOOCGWQVQO-SWLSCSKDSA-N 382.291 -0.156 30 10 GBEE Cc1nc(S(=O)(=O)NCc2ncon2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282883095 VUWCZGTZSHINFZ-UHFFFAOYSA-N 383.239 -0.111 30 10 GBEE CC/N=C(/NCc1ccc(C(N)=O)o1)N1CCN(c2nccn(C)c2=O)CC1 262459361 XFVPJSFFCCXLAE-UHFFFAOYSA-N 387.444 -0.240 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CCN1Cc1ccccc1 410594554 VTLWYOKYNHUOTA-RTBURBONSA-N 397.479 -0.234 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 492394519 IDKQHVMBSYPXCR-UHFFFAOYSA-N 379.461 -0.457 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC[C@]1(OCCO)CCOC1 594816060 DMEKDSBTSDAFJF-MRXNPFEDSA-N 384.410 -0.209 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(OCCO)CCOC1 597991197 OPGIDMXCTYYDDT-DYVFJYSZSA-N 397.453 -0.491 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)C1=O 623001397 ARUFCKDQAIHZIV-CYBMUJFWSA-N 391.405 -0.251 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C 849433783 JTAUGCYJGAQQTA-UHFFFAOYSA-N 382.504 -0.125 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)N1CCC[C@H]1C(=O)OCC 850828924 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GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@](O)(Cc2nc(CC)no2)C1 1329294259 MQHMZBMNCJOOPY-UGSOOPFHSA-N 376.413 -0.611 30 10 GBEE CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1332355401 GAQOPGAMDFZTSQ-SFHVURJKSA-N 391.449 -0.067 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CCN1C1CC1 1332600142 ICRZFDNVGFPGNI-KZNAEPCWSA-N 389.500 -0.055 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 1335017799 NBNXFFYOKWMLEK-GFCCVEGCSA-N 389.374 -0.110 30 10 GBEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1450161302 ZXAJTQNTCIUZHW-LBPRGKRZSA-N 391.833 -0.015 30 10 GBEE C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCO[C@@H](CNC(=O)NC)C1 1515209899 MBVIGDVXUWIKGQ-STQMWFEESA-N 377.449 -0.408 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1O 1682468334 RTAHJQSYDHBXNZ-HWMZRRJGSA-N 379.457 -0.476 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690074235 VVVLCRWEYFMFDI-KBPBESRZSA-N 394.501 -0.030 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnnn1 1705478267 YURNBUMCOIYUET-NEPJUHHUSA-N 381.466 -0.577 30 10 GBEE C#CCN(C)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1722349994 ITNNWXIAPCZKPA-UHFFFAOYSA-N 376.442 -0.256 30 10 GBEE COCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1730923342 VRSFCBGRBIINSV-AWEZNQCLSA-N 378.433 -0.094 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1740294579 RVXZMTGIWBNUFR-WCVJEAGWSA-N 379.457 -0.068 30 10 GBEE CC[S@@](=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267375231 DPYKERYTJQZTJY-XMMPIXPASA-N 391.324 -0.234 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(=O)NC(=O)C3)c2)OC1(C)C 2267718268 QQQKDIXMNAHTED-UHFFFAOYSA-N 386.260 -0.306 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CC[C@](O)(CO)[C@@H](O)C2)OC1(C)C 2282032512 HCPMTNMOMYEOAB-QFYYESIMSA-N 384.263 -0.628 30 10 GBEE C[C@H]1[C@@H](N)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282289752 HSOGVWLGYXDSQF-QWRGUYRKSA-N 385.299 -0.385 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H](N)C[C@@H](O)C3)c2)OC1(C)C 2282301961 INLYIBXCDPDGAR-QWHCGFSZSA-N 383.279 -0.537 30 10 GBEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)CN(C)C 2282834060 ORQJFSJJUSPHDK-NSHDSACASA-N 387.315 -0.410 30 10 GBEE CON(C)C(=O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282850397 OLCYHKXHRSGCSU-UHFFFAOYSA-N 388.255 -0.983 30 10 GBEE C[C@H]1C[C@@H](C(=O)O)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2284396204 BLOYRVWYVQTWDQ-ONGXEEELSA-N 385.251 -0.045 30 10 GBEE CC1CCN(C[C@H](O)C/N=C(/O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 328688011 ZLOKYDLKXKZDAZ-CYBMUJFWSA-N 392.460 -0.517 30 10 GBEE C[C@H](C/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)N(C)C1CC1 329116755 NNMOYCVYZHSMFL-CQSZACIVSA-N 389.522 -0.422 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1 349609054 HQVMMOPTZFYQIW-CHWSQXEVSA-N 379.504 -0.273 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2)CC1 491222343 GRUOZVGZDDRNBZ-UHFFFAOYSA-N 388.424 -0.142 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 499261808 RGRPUGUVOWGMIJ-AWEZNQCLSA-N 380.489 -0.105 30 10 GBEE CNC(=O)NC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 528627108 GLNZDOJECOQQAJ-HOTGVXAUSA-N 380.493 -0.691 30 10 GBEE CO[C@@]1(CNS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CCOC1 563429811 DWSLQIVXZGZWIF-CQSZACIVSA-N 389.455 -0.428 30 10 GBEE C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1CN(C)CCO1 589139319 SBACIEGWUYPXKW-ZBFHGGJFSA-N 386.456 -0.563 30 10 GBEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 647368563 RIRLZVVVYQMPRR-MRXNPFEDSA-N 383.474 -0.004 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 665757739 VASJAOZPILZEDD-UHFFFAOYSA-N 382.442 -0.900 30 10 GBEE COC(=O)N(C)CCN(C)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 850700207 VDIVQWPVRUEMHG-UHFFFAOYSA-N 388.428 -0.242 30 10 GBEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 854766879 XGNIJPJHLPCYCI-CQSZACIVSA-N 394.449 -0.031 30 10 GBEE C#C[C@@H](NC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1)C1CCOCC1 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394.516 -0.650 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](CO)Cc1ccncc1)c1cc[nH]n1 1467245853 SDVBQURNDGGKNK-ZDUSSCGKSA-N 375.385 -0.192 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1 1470888176 KOEQIZWCIZBWJR-RYUDHWBXSA-N 395.437 -0.606 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]21 1489672022 GCDVIWSYJIMVAL-TUVASFSCSA-N 385.486 -0.472 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)NC 1489699261 OEFYLYLUAHPBDI-SYQHCUMBSA-N 388.490 -0.825 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1596831237 KQPJGNPYZFQUAK-CHWSQXEVSA-N 398.489 -0.268 30 10 GBEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)c2C#N)C1 1618705549 GORZOGDBAILIJF-NSHDSACASA-N 396.450 -0.624 30 10 GBEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 1722537769 QNBKOWFILXUAQM-CYBMUJFWSA-N 383.474 -0.291 30 10 GBEE CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1729740080 AZCYSKFLALYMFU-OLZOCXBDSA-N 384.462 -0.202 30 10 GBEE COCCN1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1771133725 OQFTVBROBLSVDZ-WUKNDPDISA-N 389.460 -0.119 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1=O 1857144551 TUVWNSMYLIMWCG-INIZCTEOSA-N 394.439 -0.428 30 10 GBEE N#C[C@@H]1CN(C(=O)C[C@H]2CNCCS2(=O)=O)CCN1Cc1ccccc1 1914881169 FSMSIFAKRQDLTE-SJORKVTESA-N 376.482 0.000 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCO1 2249446237 ITTANLAHPPQFMT-KBPBESRZSA-N 397.409 -0.080 30 10 GBEE C[C@H](N)[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282325244 BMPBEEVYZATTRH-QWRGUYRKSA-N 385.299 -0.528 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1CN 2282329836 RYPRGNWVSGDYPK-NEPJUHHUSA-N 384.311 -0.065 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1OCC[C@H]1F 2282838035 ZGTRQHGAKYOVOJ-ZJUUUORDSA-N 390.246 -0.480 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]2C[C@@]2(O)C1 2282852265 NBRGKLXXIBTVBE-BDJLRTHQSA-N 383.279 -0.135 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNC[C@H](O)C3)cc2)OC1(C)C 2282858460 XKGXVOSABYHCNL-AWEZNQCLSA-N 382.291 -0.059 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2284468779 GFIVNBYEVSAOSS-HBNTYKKESA-N 383.231 -0.322 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3C(=O)NC[C@@H]3C(=O)O)s2)OC1(C)C 2284483946 CYASHLROAHBAQA-KWQFWETISA-N 380.231 -0.024 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@H]3[C@@H](O)CO)c2)OC1(C)C 2286231435 ZBKOUAFTCHNLRA-KBPBESRZSA-N 384.263 -0.503 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2C[C@H](O)[C@@H](O)[C@H](CO)C2)OC1(C)C 2289484674 COSXTJMVJKHLLS-DRZSPHRISA-N 383.275 -0.167 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 2357887084 XHPJJXXUAFSVGM-LJISPDSOSA-N 380.445 -0.474 30 10 GBEE COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 286547030 KYCQZLIZOWYISU-INIZCTEOSA-N 386.456 -0.561 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 349478533 SLBXWJBLWFPWJB-JTQLQIEISA-N 393.409 -0.509 30 10 GBEE CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cc(C)nc2C1 349485410 ALJVBOBDUMTODR-ZDUSSCGKSA-N 389.503 -0.051 30 10 GBEE C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 420023311 AOSNHELKRVYTKN-HIFRSBDPSA-N 386.456 -0.169 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(F)cc2)CC1 549865292 WPEVFLYBQBEKHM-UHFFFAOYSA-N 376.432 -0.069 30 10 GBEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 563423023 KITUJROGEWEMIH-LLVKDONJSA-N 387.439 -0.328 30 10 GBEE Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)n(CCC#N)n1 588709389 ORMXVVYOCKQFCI-ZDUSSCGKSA-N 396.473 -0.026 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@]2(C)COC[C@@]2(C)C1 595961520 QTUVAIUNYJARQH-MELADBBJSA-N 379.504 -0.104 30 10 GBEE C=CCCn1cc(CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)nn1 655494152 XHAVXPOFCQGCSK-UHFFFAOYSA-N 376.417 -0.133 30 10 GBEE C#CCN(CC#C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 784868995 QLRGMNYJEUXRAX-HUUCEWRRSA-N 385.424 -0.448 30 10 GBEE C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 847518048 JSFFKRKUJYLSAO-AUUYWEPGSA-N 386.408 -0.088 30 10 GBEE Cn1cc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c(Br)n1 867472327 OHHRDNCJYNSMEF-UHFFFAOYSA-N 376.236 -0.071 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1)c1cc[nH]n1 1156736992 QRCWKMNEKSXPPO-QWRGUYRKSA-N 386.430 -0.225 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)CC)CC1 1286481799 XTMHGUSCHYHYBU-OAHLLOKOSA-N 396.517 -0.524 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1300664755 FGMDRVXHDIKEOW-ZDUSSCGKSA-N 383.474 -0.250 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCC[C@H]1C1OCCO1 1322960920 BHFMIXVNTFARDK-TZFAWSOVSA-N 392.412 -0.617 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)nn1 1332059112 ZFUITCWKBQJRBY-UHFFFAOYSA-N 386.416 -0.772 30 10 GBEE C#CCNC(=O)CCNC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1346326448 PLUHGJCIVCLNAX-MRXNPFEDSA-N 386.500 -0.438 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CCCOCC 1346817484 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30 10 GBEE C[C@H](CC(=O)N[C@@H]1CCN(O)C1=O)NS(=O)(=O)c1cccnc1Cl 1637457692 CLJAZAZQPIEFFE-RKDXNWHRSA-N 376.822 -0.102 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)CCO1 1637664448 QAONERLKYKCBSF-NSHDSACASA-N 387.439 -0.586 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)c1 1648703558 FQFBXANWQXTRAS-SJORKVTESA-N 389.433 -0.183 30 10 GBEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn3c2OCCC3)CC1 1661769631 CGDIWUDEZBXDRY-UHFFFAOYSA-N 381.458 -0.889 30 10 GBEE C=CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CO2)C1 1700212137 BUCIABSHQITQNR-QBYUYEEZSA-N 379.457 -0.700 30 10 GBEE N#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 1717040713 DGCOTZUGIYWCES-YXISZKLHSA-N 376.457 -0.400 30 10 GBEE C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CNC(=O)NC)nn1 1719899891 LZMYUNIHQYVAGW-BZPMIXESSA-N 375.433 -0.355 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CCC(F)(F)F)C(=O)C2)C1 1856849876 IGCPNOXPMRYWRJ-NSHDSACASA-N 396.391 -0.073 30 10 GBEE 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C#CCN(C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1)[C@@H]1CCS(=O)(=O)C1 1117361030 GTFOEOSKHZTDME-KGLIPLIRSA-N 384.454 -0.563 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)N(CCC(N)=O)Cc2ccccc2)c(=O)n1C 1189868757 AOWIQNZYPGSIOG-UHFFFAOYSA-N 383.408 -0.369 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn2ncccc12 1282751676 VJVXQBGUBAVLEN-XPKDYRNWSA-N 380.408 -0.270 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nnn(C)n2)CC1 1286492565 LZNBIUBAOCNCII-UHFFFAOYSA-N 387.448 -0.648 30 10 GBEE N#Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 1318870059 FJVCUAVNUOJPBG-OAHLLOKOSA-N 392.437 -0.559 30 10 GBEE COCCOc1ncccc1CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329968834 DQARMEWBLNRCEM-MRXNPFEDSA-N 387.440 -0.078 30 10 GBEE CCN1CCN(CCCCNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1330377223 KLSFAKBIJSCJFW-GOSISDBHSA-N 390.532 -0.281 30 10 GBEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)C1 1333655439 NQIBIQAHAOPCDN-SPYBWZPUSA-N 388.472 -0.505 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1540868732 PLYMZWVOJSPKCG-MRXNPFEDSA-N 399.455 -0.016 30 10 GBEE C#C[C@@H]1COCCN1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565448808 BFWXIGUDCSOXBH-YRTQGLMCSA-N 384.454 -0.071 30 10 GBEE N#Cc1cn(CCC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c(=O)nc1O 1627722631 FJCMRORPXJBFCA-INIZCTEOSA-N 380.426 -0.362 30 10 GBEE C#CC[C@@H](CO)NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1641749647 PAYQHNVDZQJKIL-IIYDPXPESA-N 386.470 -0.232 30 10 GBEE C#CC[C@H](CO)NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1678669500 PBPKOADZYGOVDW-MRXNPFEDSA-N 394.497 -0.194 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 1683696049 SXXFTWFRLCGQMD-UHFFFAOYSA-N 391.453 -0.138 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCS(C)(=O)=O)CC1 1740696194 OBGGDBCXIGRZFV-HNNXBMFYSA-N 381.502 -0.028 30 10 GBEE C#CCN(c1nnc(CC)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1748817015 CHQUXWROOLDOIY-YOEHRIQHSA-N 381.502 -0.466 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1760203270 ZFAPDGSRZRRSHM-CYBMUJFWSA-N 378.458 -0.807 30 10 GBEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)CN3CCOC3=O)C2=O)C1 1857108727 ZZECHAIXNKVXBV-AWEZNQCLSA-N 385.380 -0.404 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@H](CCS)C(=O)O)[C@H](O)C1 2076826020 KIIYALXAYVOWBS-IQMDTDKHSA-N 378.447 -0.392 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CC(C#N)C3)C[C@@H]2[C@@H]1CO 2227320164 ZTQFCMOWNQEMSH-IHRRRGAJSA-N 386.474 -0.154 30 10 GBEE COC(=O)[C@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267715402 WXYIBDIBTRBTFE-SECBINFHSA-N 391.276 -0.141 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC[S@@](C)=O 2267718221 PWZXWPVMHUZQCZ-XMMPIXPASA-N 392.312 -0.839 30 10 GBEE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282030746 JWJAILMKZOCQPR-CKYFFXLPSA-N 384.263 -0.365 30 10 GBEE CO[C@@H]1CC(=O)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282419045 MFMXHAXJIKXQSH-SNVBAGLBSA-N 385.251 -0.345 30 10 GBEE C[C@@H]1CNC[C@@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505075 YGYWCLOTSKVBGQ-VXGBXAGGSA-N 384.311 -0.147 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](O)[C@H](O)C3)cc2F)OC1(C)C 2282828567 QNQPMBFITHIYAG-ZIAGYGMSSA-N 387.238 -0.149 30 10 GBEE CCOC(=O)[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282832645 BIMBZUMAAKBUQE-SECBINFHSA-N 388.255 -0.656 30 10 GBEE CN1CC2(C1)CN(S(=O)(=O)c1c(B3OC(C)(C)C(C)(C)O3)cnn1C)C2 2282852264 NATCCPULJKJUGY-UHFFFAOYSA-N 382.295 -0.345 30 10 GBEE CC[C@@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(N)=O 2282856286 QEQZXLTYCVLHFH-OAHLLOKOSA-N 386.283 -0.348 30 10 GBEE CC[C@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CO1 2282868316 LSMAHRDPALNZSV-QWRGUYRKSA-N 386.283 -0.040 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCS(N)(=O)=O 2362347507 GRSNTHVTMHEGCT-UHFFFAOYSA-N 386.283 -0.482 30 10 GBEE C/N=C(\NCC1CCN(S(C)(=O)=O)CC1)NC[C@@H](C)N1CCOCC1 261599121 ATADMZUGVLAVBG-CQSZACIVSA-N 375.539 -0.456 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1=O 284874904 BDMIESBKUMVLSF-OAHLLOKOSA-N 393.465 -0.178 30 10 GBEE CN1CCO[C@H]2CCN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21 328998117 WVNSTJLJBPGNRN-CVEARBPZSA-N 392.460 -0.308 30 10 GBEE CO[C@H]1C[C@H](/C(O)=N/C[C@@H]2CC[C@H](C(=O)N(C)C)O2)N(S(C)(=O)=O)C1 329899665 NDGCDKHFMDPFAR-WUHRBBMRSA-N 377.463 -0.372 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 423552518 VFYJXUUQXFMQNT-SOUVJXGZSA-N 383.456 -0.262 30 10 GBEE C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2CCOCC2)CC1 501810825 SVCDZHPGTPWCIS-INIZCTEOSA-N 386.518 -0.230 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 578787333 LNPRENMHDFGYFU-ZLKJLUDKSA-N 389.455 -0.743 30 10 GBEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(C(=O)CC#N)CC1 580913340 MCZFDUJAFQHPMY-KRWDZBQOSA-N 391.428 -0.814 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCCC3)CC1 635075358 XEUZPKXTJFPDRD-UHFFFAOYSA-N 388.472 -0.316 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 800053649 JAWHRBAVFTXPTP-GJZGRUSLSA-N 384.502 -0.125 30 10 GBEE CN(C)S(=O)(=O)n1ccnc1C=NNC(=S)NCCc1ccccn1 814828365 ZEBQPTAVYLCGGH-UHFFFAOYSA-N 381.487 -0.027 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CNCC3(CCOCC3)C2)C1=O 911392464 REFGYVRBUIUYDZ-CABCVRRESA-N 378.473 -0.493 30 10 GBEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(O)C2=O)CC1 1159324771 NCFQZGBUAKFMJE-LBPRGKRZSA-N 385.446 -0.466 30 10 GBEE C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1257552720 ORXKQDNWIZBTGH-CHWSQXEVSA-N 383.416 -0.818 30 10 GBEE CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 1261353905 HPMSQCOYOFJJEX-INIZCTEOSA-N 389.456 -0.154 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286787168 QAHXBXBALSTUCY-CQSZACIVSA-N 384.444 -0.208 30 10 GBEE CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1289518824 QJUUMYOFHAGHKN-LVQVYYBASA-N 377.441 -0.445 30 10 GBEE 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C=C(C)Cn1c(N2CCN(CC(=O)N3CCOCC3)CC2)nnc1C1(O)CC1 1515587130 ASLUONJOLDVZID-UHFFFAOYSA-N 390.488 -0.184 30 10 GBEE CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 1522281548 TVXXPIXSFBUUTF-BNOWGMLFSA-N 379.442 -0.313 30 10 GBEE C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1573917758 IHRZBPJFJGBWBA-APIJFGDWSA-N 376.457 -0.762 30 10 GBEE CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1587525512 GLAVBDQKUNGJNS-LBPRGKRZSA-N 379.442 -0.021 30 10 GBEE CNC(=O)NC[C@@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1636363722 XGPCDYBEQUTGAZ-OAHLLOKOSA-N 394.453 -0.371 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2N)CC1 1640202355 ZIWLTIXWGQQNLC-UHFFFAOYSA-N 378.454 -0.821 30 10 GBEE N#C[C@@]12CN(C(=O)CCCCCCS(N)(=O)=O)C[C@H]1CS(=O)(=O)C2 1645269665 AMBCREVIKPPKBC-JSGCOSHPSA-N 377.488 -0.378 30 10 GBEE C#CCN1CCN(C(=O)CN2CCC(C(=O)OCC)([S@@](C)=O)CC2)CC1 1645698324 QPXHRBSCQJEAGA-AREMUKBSSA-N 383.514 -0.460 30 10 GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC(S(N)(=O)=O)C3)C2=O)cc1 1682022014 RHLHBGACDFCOTQ-CQSZACIVSA-N 377.426 -0.659 30 10 GBEE C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](CCC(N)=O)NC(C)=O 1702905125 UJIUBYILKGNIOX-UGUYLWEFSA-N 376.457 -0.192 30 10 GBEE CNC(=O)[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCO1 1711361775 KVOXZRZUAUCYQZ-ZIAGYGMSSA-N 399.411 -0.307 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CCC)NC(N)=O 1736503903 XXUHIYRNDPYFFL-MQYQWHSLSA-N 377.445 -0.789 30 10 GBEE CN(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1768521469 PESWXVUCRURZHE-OAHLLOKOSA-N 391.476 -0.293 30 10 GBEE C#CCNC(=O)CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1963705281 BXKSAJTYKXUBFE-GFCCVEGCSA-N 387.458 -0.724 30 10 GBEE C#CCCN1CCN(C(=O)[C@@H]2[C@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CC1 2184052405 RGFUHQRQSPAIAT-HRCADAONSA-N 381.473 -0.115 30 10 GBEE C[C@@H]1[C@@H](O)CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282321437 XDFMQBMJMRCIPV-MNOVXSKESA-N 386.283 -0.352 30 10 GBEE CC[C@@H](CCCO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282321845 CAEFTIQCLBKPHQ-NSHDSACASA-N 388.299 -0.056 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2[C@H](CO)[C@@H]2C1 2282349832 DKYSLCVGILQFKW-ZSBIGDGJSA-N 383.279 -0.422 30 10 GBEE CC1(C)OB(c2sncc2C(=O)NCc2noc(C(N)=O)n2)OC1(C)C 2362571124 ISEDXCBWSLOAKJ-UHFFFAOYSA-N 379.207 -0.146 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 273372586 CJQRFYXPCFORPG-LLVKDONJSA-N 385.442 -0.063 30 10 GBEE CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349481127 MFFRQHZMLGDULE-LLVKDONJSA-N 386.455 -0.755 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)C1=O 568098031 XSBISDPRENXQIU-CQSZACIVSA-N 389.412 -0.283 30 10 GBEE C=CCn1c(Cc2nc(C)cs2)nnc1N1CCN(CC(N)=O)C(=O)C1 570801734 ZEVNJNNSRSGVFI-UHFFFAOYSA-N 375.458 -0.046 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3C[C@H](O)C34CCC4)n2)cc1 595181720 HAIDMNHKPQDPCL-CABCVRRESA-N 380.408 0.556 30 10 GBEE C#C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 784848909 NGJPJCLANHOEJL-ZDUSSCGKSA-N 378.454 -0.301 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCCO1 862082541 ZNLHBFAKNBEGRD-UHFFFAOYSA-N 380.426 -0.215 30 10 GBEE C=C1[C@@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 900945900 KJLYHSJQZNMWLW-KZBLUPIWSA-N 386.452 -0.452 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)CC(=O)C=CO3)c1=O 902600621 XKKGDPDYJJIXJL-UHFFFAOYSA-N 388.424 -0.161 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1)C1CCN(C)CC1 910886282 LKYRXHNQEPEPBR-IRXDYDNUSA-N 393.484 -0.079 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C)c1cc[nH]n1 1136874314 LCJOFHOMHOTWBU-OCCSQVGLSA-N 380.449 -0.556 30 10 GBEE CC(C)(C)OC(=O)NCCOCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157884268 GIXJCNNVMRAQOI-BLLLJJGKSA-N 387.458 -0.076 30 10 GBEE CS(=O)(=O)CC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC1 1312876051 OTFQWKKYJQCJGX-SWLSCSKDSA-N 389.499 -0.219 30 10 GBEE 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384.267 -0.642 30 10 GBEE C[C@H](F)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284398401 XQMHHNBXWJOYNI-JGVFFNPUSA-N 392.218 -0.796 30 10 GBEE CC[C@@H](C#N)N1CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 2357915997 NHZPXQLISBWAMI-AJNGGQMLSA-N 382.461 -0.226 30 10 GBEE C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)NC[C@@](C)(O)c1cnn(C)c1 261680591 QNYFDJWHYRSOSI-MRXNPFEDSA-N 386.522 -0.536 30 10 GBEE C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410995234 FZSZWEMQXVKVGK-ZBFHGGJFSA-N 387.440 -0.400 30 10 GBEE COCCN(CCOC)S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546893175 HWCVEDOFXDJRHA-UHFFFAOYSA-N 383.474 -0.085 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC)CC1 571293284 KXALJJKBVWHZSH-INIZCTEOSA-N 379.505 -0.577 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 593546161 CXPITKBZCGLOCB-NSHDSACASA-N 387.439 -0.343 30 10 GBEE COC[C@@]1(C)CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 599381846 CKIVTEHIIIOWPC-QGZVFWFLSA-N 378.433 -0.482 30 10 GBEE 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10 GBEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H](O)[C@H](O)C3)CC2)cc1 1155983250 CJCMNPUVZOEVKT-XGBSXSJOSA-N 393.465 -0.041 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1286786982 NSERUDBDSCADAU-SFHVURJKSA-N 387.444 -0.024 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 1289745490 PKWSQPGVFOQUTB-CRWXNKLISA-N 388.486 -0.521 30 10 GBEE C=CCCSCCNC(=O)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1328170487 ASCDHJUNKHKLRT-OAHLLOKOSA-N 376.500 -0.172 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC(N3CC[C@H](O)C3)CC2)C1=O 1328217628 DRLQWISWLVFKLN-JKSUJKDBSA-N 378.473 -0.711 30 10 GBEE CC(C)[C@@]1(CO)CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1328848689 PGHBIBKFCOLAKR-SFHVURJKSA-N 389.412 -0.929 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1 1341635120 WNRDQFMYGXLQKN-FPCVCCKLSA-N 381.473 -0.038 30 10 GBEE C#Cc1cccc(NC(=O)CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)c1 1355307629 JTVLNTYHGXNCHM-UHFFFAOYSA-N 387.421 -0.133 30 10 GBEE 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C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 595167149 RXKFKIZLIMSOND-INIZCTEOSA-N 395.441 -0.589 30 10 GBEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1CN(S(=O)(=O)N(C)C)C1 600709369 JUMNXLVEPXDVCV-UHFFFAOYSA-N 381.458 -0.185 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCN[C@@H](C(C)C)C2)n1 817984285 PUOZBAOVZQBGEW-QGZVFWFLSA-N 375.473 -0.052 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](N)C2)C1=O 903756715 PZHGPFUDFRSWSY-TUAOUCFPSA-N 376.379 -0.030 30 10 GBEE COCCCOC1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1117893126 MORXPHNOXYQVNQ-UHFFFAOYSA-N 387.440 -0.134 30 10 GBEE C#CCN(C(=O)[C@@H]1CCC(=O)N1C)C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 1261914000 PFXINTYYJQFTHZ-HOTGVXAUSA-N 388.468 -0.319 30 10 GBEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC#Cc1ccccc1 1321400093 QADLRRSCGXWPJI-JKSUJKDBSA-N 377.466 -0.012 30 10 GBEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)C1 1326824659 TXTURBZEMVKWLR-AWEZNQCLSA-N 398.481 -0.173 30 10 GBEE 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10 GBEE C=C(Br)Cn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760301449 BIXONSDVRIVMRV-UHFFFAOYSA-N 396.253 -0.170 30 10 GBEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(C)(=O)=O 1761216990 BVOCEYIOOQKGBT-AWEZNQCLSA-N 387.441 -0.593 30 10 GBEE N#CCC(=O)N1C[C@@H](CN2CCN(c3ccc4nncn4n3)CC2)CCC1=O 1856952243 MXNYCKLQFHKUPU-CQSZACIVSA-N 382.428 -0.075 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](O)C(N)=O)OC1(C)C 2255770299 SQYMRGYGRVIWNB-SECBINFHSA-N 376.265 -0.828 30 10 GBEE C[C@@H](ONS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2269040207 LIPJCICADAOOJU-MRVPVSSYSA-N 375.212 -0.598 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1NCC1(C)C 2282302246 KZRCUXCEPPKDJP-SNVBAGLBSA-N 385.299 -0.609 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CN 2282424002 WFZLTRDHKQOBPE-GVXVVHGQSA-N 382.295 -0.313 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCNC[C@@H]3O)c2)OC1(C)C 2282862446 CPEBPLHQWFQUBK-KGLIPLIRSA-N 383.279 -0.618 30 10 GBEE 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30 10 GBEE N#C[C@H]1CN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(=O)O)CCN1Cc1ccccc1 1924772322 MWVGTKNENZRYNZ-HRCADAONSA-N 391.449 -0.032 30 10 GBEE C=C(CS(=O)(=O)N1CC(CS(N)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2255797057 ZDZZPUWKMTVXBV-UHFFFAOYSA-N 380.297 -0.276 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](O)C(=O)O)OC1(C)C 2256909851 HJUFSOPJRYDKES-SECBINFHSA-N 377.249 -0.229 30 10 GBEE Cn1nc(C(=O)NCC[C@H](N)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282061145 HEBASVPVNUCMBR-QMMMGPOBSA-N 386.645 -0.096 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](CCN)C1 2282304273 IPQJBVYHFBSNME-LLVKDONJSA-N 385.299 -0.526 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](N)C2(CC2)C1 2282323781 HAVWXTUGLHSBQB-SNVBAGLBSA-N 383.283 -0.774 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1[C@H]2CNC[C@H]21 2282340506 GSKQAJXMGYYWFF-ZSBIGDGJSA-N 382.295 -0.537 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)OC1(C)C 2282487480 DNFKZUDIHKNWBX-FOUMNBMASA-N 383.275 -0.120 30 10 GBEE CN(CCOCCO)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508047 PZURUHHERMTORH-UHFFFAOYSA-N 389.283 -0.651 30 10 GBEE Cc1nc(S(=O)(=O)NC2(C(N)=O)CC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282509330 JEAZKHQPCIYHGQ-UHFFFAOYSA-N 384.267 -0.676 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)CCN1 2282537528 RWBXPEQNYGUIOV-UHFFFAOYSA-N 384.267 -0.906 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H](N)C[C@H](C(N)=O)C2)OC1(C)C 2282611183 HXBPEKNSLDXKDO-UWVGGRQHSA-N 380.279 -0.283 30 10 GBEE CN(C)S(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2282658677 ZXBRZQVXJXCQEG-UHFFFAOYSA-N 385.295 -0.055 30 10 GBEE CC1(C)OB(c2ccc(NC(=O)NCCNS(N)(=O)=O)cc2)OC1(C)C 2282759070 NWRBSHHJRKYVHO-UHFFFAOYSA-N 384.267 -0.100 30 10 GBEE CC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC 2282833379 HOHFRGBKKOVZCT-VIFPVBQESA-N 388.255 -0.656 30 10 GBEE C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849483 BUJPFAXNJUSNJO-YPMHNXCESA-N 384.311 -0.004 30 10 GBEE 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C=CCNC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 517724584 TVGGZAQDRMSNTD-UHFFFAOYSA-N 383.430 -0.334 30 10 GBEE N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 577077164 HQMUVBASBDEHPB-HNNXBMFYSA-N 398.466 -0.611 30 10 GBEE N#Cc1ccc(N2CCN3C[C@H](O)C[C@H]3C2)nc1N1CCN2C[C@H](O)C[C@H]2C1 594604569 YOVRURYVESBXEP-WNRNVDISSA-N 384.484 -0.536 30 10 GBEE Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NCC2COC2)ccc1C#N 600767516 RBTIMRMGHOBWOB-UHFFFAOYSA-N 388.471 -0.041 30 10 GBEE N#CCCN1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC1 601534403 UCQJNBURSDDLCT-UHFFFAOYSA-N 375.351 -0.723 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3nncn3C[C@H]2C(=O)O)c1 643972562 UMPNBYBSLCDRFY-ZDUSSCGKSA-N 391.409 -0.148 30 10 GBEE COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccn(C)n1 787806981 HCKCMFAOWCIGFD-CQSZACIVSA-N 391.409 -0.511 30 10 GBEE C#CCN(C(=O)C(=O)NCCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1116979170 IASPZWPHQCWLRK-LSDHHAIUSA-N 386.470 -0.663 30 10 GBEE C#CCN(C(=O)C(=O)NCc1c(O)nnc(C)c1C)[C@H]1CCS(=O)(=O)C1 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386.478 -0.584 30 10 GBEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)C2 1557600990 FJBUONKKPJBFNC-DRZSPHRISA-N 375.385 -0.196 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 1574443118 UDTSHUPPIFSIGX-SDFXEEBMSA-N 378.429 -0.544 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 1587989084 GPTWRELNEIVHFF-ZDUSSCGKSA-N 395.485 -0.468 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnn2C2CCOCC2)CC1 1673626518 VZVMCZKKFAZXLM-UHFFFAOYSA-N 396.473 -0.148 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1686150578 DECWTBMOZZPZBV-ZUMXRPEOSA-N 377.445 -0.453 30 10 GBEE CC(=O)N[C@@H](CCC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC(C)C 1702988623 URHDGUFDZGTJAT-QXSJWSMHSA-N 376.457 -0.336 30 10 GBEE C#CCN1CCC(C(=O)NC[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1704943906 FNVOZRGYQWCPSB-RFSXOUPVSA-N 375.469 -0.652 30 10 GBEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1760177898 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10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1O 2282657843 PAWFHYXFAXCIDH-LIOSHXBBSA-N 384.182 -0.420 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H](F)C[C@@H](O)C2)n1 2282831646 BXJGNOBWJCKHGK-WDEREUQCSA-N 389.258 -0.187 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H](CN)C(F)(F)F)n1 2282839535 FPHMRLQHCGGCMR-SECBINFHSA-N 398.216 -0.113 30 10 GBEE C#C[C@@H]1COCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282861215 LJNSRFNJQHOCBX-LLVKDONJSA-N 382.251 -0.863 30 10 GBEE CC1(C)OB(c2cnc(C(=O)N3C[C@@H]4CS(=O)(=O)[C@H]4C3)nc2)OC1(C)C 2361655895 ZCZMTZWMARHJRS-PWSUYJOCSA-N 379.247 -0.355 30 10 GBEE CCN1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)CC1=O 349455036 QUWROJCKVLGQQQ-UHFFFAOYSA-N 398.466 -0.169 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCSC1 349557331 YNYWCJVVQLVXSK-STQMWFEESA-N 397.544 -0.254 30 10 GBEE CN(C)S(=O)(=O)N1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 365688940 NMBIHNYKUXJNFZ-UHFFFAOYSA-N 393.469 -0.371 30 10 GBEE N#CCCn1ccc(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)n1 427685853 BVFTXYFBBPKCBS-DALZZNEMSA-N 381.436 0.360 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 526044805 NCQUVPHGYNVWPY-UHFFFAOYSA-N 386.456 -0.922 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nccn2C(F)F)CC1 557199439 RCHSWHGTAUEFRH-UHFFFAOYSA-N 384.387 -0.659 30 10 GBEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccnn1C 592171078 RLBHBIFOMHRGMX-RDJZCZTQSA-N 376.461 -0.084 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN3C(=O)NC[C@@H]3C2)s1 820662219 FXUWBXAMASHRFD-LLVKDONJSA-N 384.483 -0.009 30 10 GBEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 850121077 CLLCLMZLJLYCHX-BYCMXARLSA-N 390.396 -0.077 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCO[C@@](C)(COC)C2)n1 859372645 YVLKRBDFOMCIAO-LJQANCHMSA-N 392.456 -0.245 30 10 GBEE C#CCCCc1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1C[C@@H]1CCCO1 909773900 AIFKYDOTUPECPH-CABCVRRESA-N 394.501 -0.248 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CC2)CO[C@H](CN)C3)C1=O 926357956 SVVKMHRTNVKKFP-LSDHHAIUSA-N 378.473 -0.412 30 10 GBEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)N[C@@H]1CCN(CCN3CCOCC3)C1)C2 1118345148 WKRWCURJKKJJPV-LJQANCHMSA-N 397.479 -0.077 30 10 GBEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCN(C(COC)COC)CC1 1121509813 JNGSXJXXQFYIDR-IRXDYDNUSA-N 394.520 -0.015 30 10 GBEE C#CCN(c1nnc([C@@]2(C(C)C)CNC(=O)C2)n1C)[C@@H]1CCS(=O)(=O)C1 1262905435 SMUBMULPVYAOTC-CXAGYDPISA-N 379.486 -0.145 30 10 GBEE CCc1nnc(N(C)CCS(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1292867534 LJHWAEVYSHGXSH-CCEZHUSRSA-N 396.473 -0.152 30 10 GBEE N#Cc1ncn(CCNC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)n1 1312660565 FQKKCRVUIDXJTO-ILXRZTDVSA-N 389.460 -0.009 30 10 GBEE C=C[C@H](O)c1nnc(N2CCN(CC(=O)NCC)CC2)n1C[C@H]1CCCO1 1344629353 VQENXVYGIJMBCO-CABCVRRESA-N 378.477 -0.065 30 10 GBEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1521128334 BDKWEGKBHOCFBC-WBMJQRKESA-N 392.441 -0.448 30 10 GBEE CC(C)(C)OC(=O)C1(C(=O)N[C@H]2CCN(O)C2=O)CCS(=O)(=O)CC1 1641379235 RRWBHWGNOOKDOJ-JTQLQIEISA-N 376.431 -0.371 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1702907103 ATROUSYZMRTIMO-MQYQWHSLSA-N 378.429 -0.185 30 10 GBEE CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1711423497 CWUUFBYLSOCJSZ-CQSZACIVSA-N 391.457 -0.458 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCS(C)(=O)=O 1719837795 BNIJXCLNHIHBGZ-UGUYLWEFSA-N 381.498 -0.233 30 10 GBEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1736560267 NUOWVAFTSZTPOY-MQYQWHSLSA-N 378.429 -0.185 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749669344 GXPIPCIPAPSXFZ-SGTLLEGYSA-N 387.444 -0.752 30 10 GBEE C=CCN([C@H]1CCCN(C(=O)CN2CCCC2=O)C1=O)[C@@H]1CCN(C)C1=O 1856735285 HMXVAXKHSVQMMB-LSDHHAIUSA-N 376.457 -0.155 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC2(C1)OCCO2 2255693873 JNCBVDXVTYAECH-UHFFFAOYSA-N 378.238 -0.003 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H]1CCO 2282312224 SIMIOPDFWQMIOK-LLVKDONJSA-N 386.283 -0.350 30 10 GBEE COC(=O)C(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331404 MXPKATLVWWCGIX-UHFFFAOYSA-N 387.267 -0.051 30 10 GBEE Cn1ccnc1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868665 QTJRKJZEOVOKMZ-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H]3[C@H](C2)CS3(=O)=O)n1 2361543720 JYYUPOVSKUFZCQ-ZYHUDNBSSA-N 381.263 -0.412 30 10 GBEE CN1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1=O 287001558 MGDPGXCKKOWXAD-JKSUJKDBSA-N 397.435 -0.488 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCc3ccnc(O)c3C2)CC1 411003465 UDJLYTYJBKMRAW-UHFFFAOYSA-N 387.440 -0.882 30 10 GBEE CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3ncccc3C#N)CC2)n1 475855378 YKVKUGQBPYKFNM-UHFFFAOYSA-N 383.416 -0.013 30 10 GBEE COCCCN1CCC(NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 527766557 AKPCMZWSUNLWCU-UHFFFAOYSA-N 390.444 -0.112 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)CC2)c1C#N 592440991 YKIOYCOXNIYFOI-QWHCGFSZSA-N 388.428 -0.382 30 10 GBEE CC(C)(C#N)c1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 593565035 GMCJMJCOUIHFKU-ZDUSSCGKSA-N 376.438 -0.181 30 10 GBEE N#Cc1cn(CCC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c(=O)nc1O 1137648646 DLGHYDSWUCYKKS-JTQLQIEISA-N 387.318 -0.120 30 10 GBEE C#CCNC(=O)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1284686474 KPMVRVHDEBQETA-JTOWHCCKSA-N 377.441 -0.715 30 10 GBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286815739 ABTPHBMBDCMQRZ-LBPRGKRZSA-N 391.519 -0.343 30 10 GBEE C#CCN(C(=O)C(=O)NCCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1323442717 WCIBHTYTMJGJRG-HNNXBMFYSA-N 397.497 -0.410 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)n1 1323642420 TWDJBYUAPZXRTM-OAHLLOKOSA-N 384.440 -0.181 30 10 GBEE C=CCN(C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CNC[C@H]32)C1)[C@@H](C)COC 1330568186 PZKDETQPZMJMJO-XQLPTFJDSA-N 380.445 -0.571 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)C1 1332963544 OSTMNSKYEJNUJS-MRXNPFEDSA-N 399.513 -0.243 30 10 GBEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 1333290404 RYQJUFLPJVTENP-FTRWYGJKSA-N 391.468 -0.229 30 10 GBEE N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)c1 1360139804 SNHMNORRRYHSMJ-HNNXBMFYSA-N 377.422 -0.159 30 10 GBEE O=C(NCC#CCO)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1471151808 DTJUJIKYWUSEMF-UHFFFAOYSA-N 381.410 -0.874 30 10 GBEE N#CCNC(=O)CN1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1502098921 GJHKCZLWYXBEEF-PITCONLNSA-N 387.484 -0.732 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595530120 UGBARTPXKQGPJM-GFCCVEGCSA-N 391.457 -0.339 30 10 GBEE CN1CC[C@@H](N2CCC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1=O 1627090266 ITHCOEHOQDSTBY-MGPWXQLLSA-N 389.456 -0.286 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(O)(c3ncnn3C)C2)s1 1633367499 LYYJJPYYGMPBHX-UHFFFAOYSA-N 397.482 -0.387 30 10 GBEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CC(O)(CC#N)C3)C2=O)cc1 1654251105 AZJQFMFMLTUDNP-QGZVFWFLSA-N 387.396 -0.546 30 10 GBEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC2CC2)CCO1 1698490384 ARIJDWZPABAMBS-CQSZACIVSA-N 387.444 -0.231 30 10 GBEE C[C@H]1C(=O)N(C(=O)c2cc(=O)n(C)c(=O)n2C)CCN1Cc1ccc(C#N)cc1 1855553040 RROIDLQKGYIOHD-ZDUSSCGKSA-N 395.419 -0.171 30 10 GBEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cn2ncccc2=O)C1)[C@@H]1CCN(C)C1=O 1857298553 CBKAXAZBNUNIMS-HUUCEWRRSA-N 387.440 -0.663 30 10 GBEE C#CCN1CC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 2139344774 BYORNJOWKLXUNY-KGLIPLIRSA-N 385.486 -0.252 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)CN 2255739587 MXOZQNGOAZEZLI-JTQLQIEISA-N 376.309 -0.046 30 10 GBEE C[C@@H](ONS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2269031885 LIPJCICADAOOJU-MRVPVSSYSA-N 375.212 -0.598 30 10 GBEE C#CCN(CCOC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282349854 DQVXACLAHKAICF-UHFFFAOYSA-N 383.279 -0.010 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CC(F)(CN)C2)n1 2282416446 WDSASRVFYTZUKD-UHFFFAOYSA-N 388.274 -0.173 30 10 GBEE Cn1ncc(C(=O)N2CCCS(=O)(=O)CC2)c1B1OC(C)(C)C(C)(C)O1 2282562730 VAIHHPCMLZMWJG-UHFFFAOYSA-N 383.279 -0.020 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCO)CC(F)F 2282838172 KETQZBSOSYNTPR-UHFFFAOYSA-N 396.225 -0.638 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)ns2)OC1(C)C 2284431563 LRNMZKVXLYMJHA-QMMMGPOBSA-N 383.235 -0.109 30 10 GBEE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2286749624 REBBLWXWCNOMBM-KWBADKCTSA-N 387.267 -0.854 30 10 GBEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 288197861 SJNOUXAXIUVHIO-UHFFFAOYSA-N 394.453 -0.191 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)[C@H]2CCCCO2)CC1 656350214 HPUOXZXJOJDXKW-HZPDHXFCSA-N 380.489 -0.103 30 10 GBEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1=O 735072784 HXUQJRIWOIWYJI-YOEHRIQHSA-N 391.453 -0.094 30 10 GBEE 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383.430 -0.284 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOCCCO)CC1 1507716348 QECWJLXTBSZROM-UHFFFAOYSA-N 378.477 -0.430 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccn(C)n2)CC1 1690122577 VZTDCGNVJAAGDE-INIZCTEOSA-N 382.472 -0.039 30 10 GBEE CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 1719926095 OUIGEJIRQFDWDL-BNOWGMLFSA-N 379.442 -0.361 30 10 GBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(=O)NCC)CC1 1722723677 CAYSDMLCUDLOLU-UHFFFAOYSA-N 384.506 -0.555 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCS(C)(=O)=O)CC1 1740696195 OBGGDBCXIGRZFV-OAHLLOKOSA-N 381.502 -0.028 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O 1740957839 BTXBAIIVLAOIRS-LBPRGKRZSA-N 398.489 -0.598 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N=c2nc[nH]cc2C#N)C1 1892771748 VWBGIZURNASNIU-LLVKDONJSA-N 381.414 -0.257 30 10 GBEE C=C[C@]1(CO)COCCN1C(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2199847077 BHRVZPFVAJNBSP-COJSNBRMSA-N 386.445 -0.507 30 10 GBEE C#C[C@H](CO)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2244220943 JFCIDSQERPSMQF-KGLIPLIRSA-N 384.410 -0.632 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@](C)(O)CO)OC1(C)C 2267466493 BFTMWLLVRUBYQX-AWEZNQCLSA-N 392.308 -0.395 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@]1(C)CCO 2282318685 JBBUNKLVIMMLTF-OAHLLOKOSA-N 386.283 -0.350 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(CCNC2)C1 2282850806 TVEINSXVUIEJPL-UHFFFAOYSA-N 382.295 -0.297 30 10 GBEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)CCS(=O)(=O)C1 2368805331 ZATCLBLJUDMKSV-AHIWAGSCSA-N 398.485 -0.123 30 10 GBEE N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCSCC1 349517549 LOPSWZLEYANPBP-UHFFFAOYSA-N 380.517 -0.176 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 374720080 WZLXSIBTAJSFAC-UHFFFAOYSA-N 379.504 -0.203 30 10 GBEE Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)C2=O 530268100 SMVKYFUSUWBJKH-UHFFFAOYSA-N 393.359 -0.192 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 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C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410995232 FZSZWEMQXVKVGK-GOEBONIOSA-N 387.440 -0.400 30 10 GBEE COCCOCCN1C(=O)C[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 489055345 SHOSGHJCKXWHRK-MRXNPFEDSA-N 387.440 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 511566474 MNQRVUQRPLSYFZ-UHFFFAOYSA-N 386.518 -0.169 30 10 GBEE COc1cc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1C#N 571333380 BZWFMTIYNNKOPU-UHFFFAOYSA-N 388.471 -0.522 30 10 GBEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 596747322 GAHAWCPWTYRVBE-ZIAGYGMSSA-N 379.442 -0.403 30 10 GBEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCN(O)C3=O)CC2)cc1 816692514 PSCGVUDZHMHCPE-HNNXBMFYSA-N 396.469 -0.592 30 10 GBEE C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 848954048 WLUBYQLFQKTLJJ-NSHDSACASA-N 386.455 -0.660 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C1 1117610320 BFZDEWZBQAJVJZ-GFCCVEGCSA-N 387.483 -0.054 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccnn2C)CC1 1118327604 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-0.269 30 10 GBEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439616209 QGNHRMYAZZKGSY-HZMBPMFUSA-N 384.439 -0.801 30 10 GBEE CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1556603031 TWHPNHAHGWCETL-UHFFFAOYSA-N 399.494 -0.239 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1572824603 MWFZXZOTPHYJIL-FPCVCCKLSA-N 391.424 -0.403 30 10 GBEE CCS(=O)(=O)N1CCC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1628386284 SIHGEYMPZCMUMT-PEZBUJJGSA-N 384.458 -0.309 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 1636475574 NYEQOZVLAAAKLB-UHFFFAOYSA-N 382.398 -0.415 30 10 GBEE COCc1ccccc1CNC(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1652167819 VDCITJACTXPBFG-UHFFFAOYSA-N 386.408 -0.355 30 10 GBEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC 1740716805 AFMAFAAHYJPFJE-GFCCVEGCSA-N 389.503 -0.025 30 10 GBEE C=CCCN(C)[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 1857483350 OUJKCKKTOZXFSB-LBPRGKRZSA-N 388.428 -0.931 30 10 GBEE Cn1cc(S(=O)(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c(=O)n(C)c1=O 1890852363 LEJVFNPPHAJPFH-GFCCVEGCSA-N 391.409 -0.807 30 10 GBEE CC1(C)OB(c2csnc2C(=O)NCCCNS(N)(=O)=O)OC1(C)C 2267000826 CPMICQVHOSWTRM-UHFFFAOYSA-N 390.296 -0.645 30 10 GBEE CO[C@@H]1C[C@H]1CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282319332 RMCGOUPSMLKLMK-WDEREUQCSA-N 386.283 -0.230 30 10 GBEE C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282326530 UKNRVBYBPHQYNJ-GHMZBOCLSA-N 385.299 -0.657 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CCS(=O)(=O)C2)OC1(C)C 2283057520 ARSNKOORNHOHMJ-LLVKDONJSA-N 381.263 -0.060 30 10 GBEE CN(C)S(=O)(=O)CCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2367629306 ZQFXMCDRMZIYHK-UHFFFAOYSA-N 386.283 -0.280 30 10 GBEE C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@@H]2O 238775831 BTWFVPFIPDEZTE-LOBSRDPBSA-N 380.437 -0.306 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 265879288 BLQMEYYAMMIREJ-PXNSSMCTSA-N 397.479 -0.115 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@](O)(C(F)F)C1 349471276 UOOHOVGHARTMPG-ONGXEEELSA-N 375.419 -0.760 30 10 GBEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1 509976023 YUXBUXRNJIAYOC-CQSZACIVSA-N 379.442 -0.116 30 10 GBEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CC1 553397157 MPUKIMXBNONXKG-UHFFFAOYSA-N 380.489 -0.150 30 10 GBEE C=CCNC(=O)C(C#N)=c1sc(=Cc2nn(C)c(C)c2Cl)c(=O)n1C 583018209 WGYRSQACKRELFV-UHFFFAOYSA-N 377.857 -0.053 30 10 GBEE N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 599891702 WDDVLFJDEBEJTK-UHFFFAOYSA-N 388.403 -0.195 30 10 GBEE CNCCOCCN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 599894348 XFRKVNQWVMZZBP-UHFFFAOYSA-N 388.403 0.516 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 656869170 YBEJDAKRCDRNEU-CABCVRRESA-N 375.491 -0.713 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ncc(CC)s2)CC1 673334617 LIEYFFOEOFEIOP-UHFFFAOYSA-N 379.486 -0.232 30 10 GBEE Cn1cc(/C=C/C(=O)N2CCN(c3cnccc3C#N)CC2)c(=O)n(C)c1=O 814146312 WNPSTZBQGLJSJC-ONEGZZNKSA-N 380.408 -0.287 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)n1 850653828 DKGVYCQBWJRCSA-OAHLLOKOSA-N 398.423 -0.345 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 855823731 KRLXKWVNUDFYAS-CYBMUJFWSA-N 399.494 -0.296 30 10 GBEE NC(=O)C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 863486836 GIGMPGUEDUEUSF-NSHDSACASA-N 380.426 -0.782 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1117307194 WQPZOIIQLORVNE-OAHLLOKOSA-N 393.421 -0.098 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 1120341577 KCJUKKIVILWVAI-UHFFFAOYSA-N 375.404 -0.359 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1F 1141204144 OTRWANUSAYDQRR-PHIMTYICSA-N 381.385 -0.365 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)NCC[C@@H]3CCCOC3)C2)c(=O)nc1O 1328925149 VCHAYRIILMDFFQ-NSHDSACASA-N 375.385 -0.863 30 10 GBEE CCNC(=O)CN1CCN(C(=O)C(=O)N2CCc3c(CC#N)cccc3C2)CC1 1335085842 RCMXKGSRBYLENP-UHFFFAOYSA-N 397.479 -0.082 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC(=O)N1C 1348368793 ZWPRJKAEZROGRE-QWHCGFSZSA-N 385.428 -0.926 30 10 GBEE Cc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1492823628 XJRLVIYWDCBRMB-WBYGGXTKSA-N 385.428 -0.028 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccn(C)n2)CC1 1690122578 VZTDCGNVJAAGDE-MRXNPFEDSA-N 382.472 -0.039 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)OC)C1 1690669693 MJHYRYDVXZUYDA-NEPJUHHUSA-N 376.417 -0.469 30 10 GBEE C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](CCC(N)=O)NC(C)=O 1702974329 UJIUBYILKGNIOX-FPCVCCKLSA-N 376.457 -0.192 30 10 GBEE CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1O 1735744037 PXXWLNMWYZMXEL-TVFCKZIOSA-N 393.484 -0.787 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncnn1C 1736480050 HWUFCXVBDLVCFH-XGUBFFRZSA-N 375.429 -0.382 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@@H]1O 1739632732 KIQLRWIZDLPIPX-CRWXNKLISA-N 382.461 -0.637 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1741679018 NNOWCUDJVMKBSS-CXAGYDPISA-N 378.433 -0.049 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnnn1CC1CC1 1760175813 RZUWBOKSWHGWKP-ZDUSSCGKSA-N 390.473 -0.306 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCN(C)C1 1760225572 TVICKSVZGDOSHB-CJNGLKHVSA-N 384.506 -0.586 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnnn1CC1CC1 1760248921 SKJDPRFPYJTAEW-CQSZACIVSA-N 399.459 -0.240 30 10 GBEE CN(CCS(N)(=O)=O)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255807031 NVDVTDFJYSRZJC-UHFFFAOYSA-N 375.281 -0.197 30 10 GBEE Cc1cc(C(=O)NCCNS(N)(=O)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282126125 GIBWUGLPUDBBBG-UHFFFAOYSA-N 383.279 -0.183 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1[C@H]2COCC[C@H]21 2282321996 DVCGUWJDPVIEKN-OUAUKWLOSA-N 384.267 -0.573 30 10 GBEE O=C1CC[C@@H]2CN(/C(=N\C[C@@H]3CCCO3)NC[C@@H]3CCS(=O)(=O)C3)CCN12 262353982 FQDPORNBJDLHTB-XHSDSOJGSA-N 398.529 -0.148 30 10 GBEE C=CCN(CC=C)C(=O)CN1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 262733557 BISXWLOZFMYINO-AWEZNQCLSA-N 389.474 -0.766 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](O)(C(F)F)C1 349468440 PIRGWUFOOMOJPC-JQWIXIFHSA-N 389.446 -0.418 30 10 GBEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 364739803 PCJOCXNFLQWBOL-NUEKZKHPSA-N 393.465 -0.060 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 441623985 QAFJCZSUUZCLFL-UHFFFAOYSA-N 397.501 -0.157 30 10 GBEE Cn1cnc2c1c(=O)n(CC(=O)NCCOc1ccc(C#N)cc1)c(=O)n2C 460278178 AAHZGKZGJNUTTD-UHFFFAOYSA-N 382.380 -0.499 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)C1=O 564104909 LNNUMYDMRVPRPL-BZPMIXESSA-N 375.385 -0.305 30 10 GBEE Cn1cc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2=O)cn1 586863871 CJXIFCKXDITVEC-UHFFFAOYSA-N 384.371 -0.078 30 10 GBEE Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 599891214 OPFCQNYXADYCPS-UHFFFAOYSA-N 384.440 -0.025 30 10 GBEE CCCn1c(NN=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(O)nc(=O)n2C 606630638 OYDBSJALMKPHCJ-UHFFFAOYSA-N 390.360 -0.936 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)C1CCN(C)CC1 910885659 MMBPXLMCXCGBAH-GOSISDBHSA-N 376.501 -0.134 30 10 GBEE CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116252437 CYGPXECAXYRFGJ-FUOHODRYSA-N 384.458 -0.263 30 10 GBEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1118949333 ZCCKGUMAGDZVIZ-ZBFHGGJFSA-N 375.473 -0.052 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1312353239 DNHGVEJIFZBAEQ-UHFFFAOYSA-N 377.463 -0.132 30 10 GBEE CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 1326165745 LNFCDABISWBOKY-UHFFFAOYSA-N 399.451 -0.434 30 10 GBEE N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1327172475 WVDIODNJSRUYQL-KRWDZBQOSA-N 377.422 -0.296 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1333789450 LPRWRPLGJUPZJR-OWCLPIDISA-N 382.482 -0.043 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)C1CCN(C)CC1 1335779871 GJLFWFRMLKZBEF-INIZCTEOSA-N 386.456 -0.802 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC[C@H]2CC(=O)N(C)C2)n1 1337932877 SYFPQLAQKVGVNR-HNNXBMFYSA-N 389.456 -0.524 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 1343753783 RVFKUZIAQPTJHM-NCOADZHNSA-N 393.484 -0.038 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC)C1CCN(C)CC1 1351387262 LAALIXFGZOCHPP-SJORKVTESA-N 381.473 -0.521 30 10 GBEE C=C1[C@@H](C(=O)N2CC3(CN(C)C(=O)O3)C2)[C@H]1C(=O)N1CC2(CN(C)C(=O)O2)C1 1354073902 UUDRDVCIJJEVAF-TXEJJXNPSA-N 390.396 -0.885 30 10 GBEE Cc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cnn1CCC#N 1443005793 RPDYUPVMAHLJLR-LSDHHAIUSA-N 381.458 -0.667 30 10 GBEE Cn1cc(I)c(CNc2[nH]c(=O)n(C)c(=O)c2C#N)n1 1458377120 DFWJOTJSBZYRNY-UHFFFAOYSA-N 386.153 -0.105 30 10 GBEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1539370356 VXVPEEQPAYGWRV-WMLDXEAASA-N 381.502 -0.294 30 10 GBEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1556749787 PTBHWBGOAXZTKI-CYBMUJFWSA-N 387.389 -0.434 30 10 GBEE 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CN([C@@H]1CCC[C@@H]1O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282859946 SQLHKXCHNWFGIK-MNOVXSKESA-N 386.283 -0.352 30 10 GBEE Cc1nc(S(=O)(=O)N[C@H]2CNC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282882379 KUDYHOJGHNAXEI-PWSUYJOCSA-N 384.311 -0.086 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC=C[C@@H]1C(=O)O 2284414728 JIKIXBXMLFYINS-SECBINFHSA-N 384.223 -0.872 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOC)[C@@H](C)C2)c1=O 117323029 PINFPOPTJNWDKZ-HNNXBMFYSA-N 379.461 -0.846 30 10 GBEE C/N=C(/NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCN(Cc2ccon2)CC1 261745802 LFVIFJMMAWQASJ-CQSZACIVSA-N 384.506 -0.351 30 10 GBEE CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 268412554 OWJKNCSXQINBQJ-UHFFFAOYSA-N 392.485 -0.821 30 10 GBEE C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 420023312 AOSNHELKRVYTKN-UKRRQHHQSA-N 386.456 -0.169 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 459812950 KQPPOQVBRYBHIQ-OAHLLOKOSA-N 394.472 -0.766 30 10 GBEE 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392.499 -0.387 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 1261537947 BLAWOVCWUAPCBZ-OAHLLOKOSA-N 393.465 -0.009 30 10 GBEE C[C@]12CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C[C@]1(C)C(=O)NC2=O 1302285098 IQEMWNCMUJTMGL-IAGOWNOFSA-N 390.421 -0.764 30 10 GBEE CCN(CCC#N)C(=O)CN1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1483872359 AZEOPZXIWRCNKG-QILLFSRXSA-N 378.473 -0.057 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(F)ncn3)CC2)C1=O 1556702970 HCBRFSFJUHQVQA-UHFFFAOYSA-N 376.348 -0.759 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1588645678 BBGZEOWQHMOUQF-RHSMWYFYSA-N 398.485 -0.582 30 10 GBEE N#Cc1cn(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(=O)nc1O 1631051807 FUOXKFAUXBACJS-INIZCTEOSA-N 379.442 -0.855 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)C1=O 1636306897 AVZXNCOKLNDTDW-ZIAGYGMSSA-N 378.429 -0.543 30 10 GBEE N#Cc1cn(CC(=O)NCCCn2cc(Br)cn2)c(=O)nc1O 1637002720 LUSFJMOULVNOOS-UHFFFAOYSA-N 381.190 -0.014 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](CCO)C1CCOCC1)c1cc[nH]n1 1638133687 UQRGXZWGLHPHJY-CYBMUJFWSA-N 382.417 -0.013 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCC(=O)NCCC)C[C@H]1O 1682669997 KYSZEMLGLRKIJQ-FPCVCCKLSA-N 381.473 -0.038 30 10 GBEE C#CCN(c1nnc(C)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 1722364170 JQJQKFQKKOGYBW-ZDUSSCGKSA-N 391.457 -0.634 30 10 GBEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cn2ncccc2=O)C1=O 1853804498 KTQBXSVPWSDAPB-CABCVRRESA-N 387.440 -0.520 30 10 GBEE C#CCNC(=O)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019099571 FMVRZNPAWPWSLM-AWEZNQCLSA-N 396.421 -0.080 30 10 GBEE COc1ccc(C=CC(=O)[C@H](C#N)C(N)=O)cc1S(=O)(=O)N1CCOCC1 2042452861 DWXJUCNVDQQJPV-ZDUSSCGKSA-N 393.421 -0.077 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)[C@H](O)[C@@H]1CO 2281969605 BJCMAICBQNBKKK-SGMGOOAPSA-N 383.275 -0.106 30 10 GBEE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282029452 SCLOQADIXWGFPT-WOPDTQHZSA-N 384.263 -0.365 30 10 GBEE C[C@@H]1OC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H]1C 2282291977 OSXBDNMKUQYYAY-DCAQKATOSA-N 386.283 -0.184 30 10 GBEE Cc1csc(C(=O)N2C[C@H](O)[C@H](O)[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282609471 JAGLZVCADAHOHG-GMXVVIOVSA-N 383.275 -0.106 30 10 GBEE COC(=O)[C@@H](CO)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282827919 GOEIQIICNZHJPN-GFCCVEGCSA-N 386.235 -0.807 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2[C@H]3CCCN[C@@H]32)n1 2282839115 ZBXFBJWSCLAXCD-WCFLWFBJSA-N 382.295 -0.252 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H](N)C(F)(F)F 2282839452 DOGCHSIYMQKQSF-SSDOTTSWSA-N 399.204 -0.718 30 10 GBEE C=C[C@@H]1COCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2285359328 SBJOWRAPWLIIEF-LLVKDONJSA-N 384.267 -0.310 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1ccc(C#N)nc1 2358559789 XUIKAKAPJJUDGN-MJBXVCDLSA-N 398.441 -0.427 30 10 GBEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2359266639 LHLFBHWQCSPTNK-XQQFMLRXSA-N 383.275 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O=C1N=C(NN=Cc2ccc(OCCN3CCOCC3)c(Cl)c2)NC1=O 765591159 IZDVNMHZPAMULY-UHFFFAOYSA-N 379.804 -0.013 30 10 GBEE C#CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774168935 QARSETOFZSXVNW-LBPRGKRZSA-N 379.504 -0.464 30 10 GBEE Cn1cc(/C=C\C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c(=O)n(C)c1=O 781601566 IEZOOJLOFQEELI-SREVYHEPSA-N 392.368 -0.387 30 10 GBEE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCN(O)C1=O 816690927 HBFYRIRHAPEXBS-OAHLLOKOSA-N 397.453 -0.254 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 839594981 FEMHKVJTPHLMEE-CQSZACIVSA-N 391.449 -0.313 30 10 GBEE C#CCOCCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 1117391341 PNAAQZJHBZDBTK-UHFFFAOYSA-N 378.473 -0.845 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)c(Cl)c1 1128546298 JRXAKPBIRSEDTP-ZDUSSCGKSA-N 396.856 -0.227 30 10 GBEE COC1(OC)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O 1162894800 AJHSPTYQESATFN-IUODEOHRSA-N 397.453 -0.193 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1176421643 FZKLLGLSFAKQLE-BQFCYCMXSA-N 393.513 -0.451 30 10 GBEE N#Cc1ccnc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1259858062 OTHCWRWRVABUCW-AWEZNQCLSA-N 391.453 -0.986 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([S@](C)(=N)=O)CC1 1303354377 RFHPICTZVVBLGL-VDBVYFBLSA-N 399.498 -0.039 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1303412443 YAEXABHXWWBNJX-SJKOYZFVSA-N 375.433 -0.377 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cn2cc(C)ccc2n1)[C@H]1CCS(=O)(=O)C1 1327761844 QYNFDKSZFHQTQH-HNNXBMFYSA-N 388.449 -0.092 30 10 GBEE CCn1nc(C)c(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1 1328096258 VBVZJEKXOOBNJS-UHFFFAOYSA-N 382.428 -0.162 30 10 GBEE CCC1(CO)CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1331628435 IMJLOKQXEZFNNN-UHFFFAOYSA-N 389.412 -0.785 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CCN1C1CC1 1336125829 PURSQZPUMGVDJO-KRWDZBQOSA-N 389.500 -0.054 30 10 GBEE 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C#CCN(C)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1722356494 HAPITCNLBXWUBJ-UHFFFAOYSA-N 380.474 -0.495 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1749650130 KRTOYKSUIRSHIN-GFCCVEGCSA-N 377.449 -0.580 30 10 GBEE C#CCN(C)CCCNC(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 1890722569 UWNSPZSNVLZQTE-CQSZACIVSA-N 387.502 -0.004 30 10 GBEE N#C[C@H]1CN(C(=O)C[C@@H]2CNCCS2(=O)=O)CCN1Cc1ccccc1 1914881162 FSMSIFAKRQDLTE-DLBZAZTESA-N 376.482 0.000 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H](O)CN)OC1(C)C 2255795829 JZZLMCMYFJPZHV-VIFPVBQESA-N 377.297 -0.819 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2COC[C@H]2F)n1 2267705559 JFKBCQSTBTXGKF-MNOVXSKESA-N 375.231 -0.266 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NS(=O)(=O)C1CC1 2269030987 HSJKCFRXCOQPIR-UHFFFAOYSA-N 391.280 -0.510 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@H]1CN 2282350780 RTEKFHVSKWSBPH-VXGBXAGGSA-N 384.311 -0.065 30 10 GBEE COC(=O)C1(NC(=O)c2nc(C)sc2B2OC(C)(C)C(C)(C)O2)CNC1 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Cc1nn(C)c(N2CCN(C(=O)[C@](C)(O)Cn3ccccc3=O)CC2)c1C#N 548064060 MNVSEQDATLWOSP-LJQANCHMSA-N 384.440 -0.138 30 10 GBEE CCCN(CC#CCN(CCC)[C@@H]1CC(=O)N(C)C1=O)[C@H]1CC(=O)N(C)C1=O 551448699 OTXBRFCHEJTFCU-IYBDPMFKSA-N 390.484 -0.072 30 10 GBEE C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 561715461 AQQLVGQOJKUXKL-GDBMZVCRSA-N 387.440 -0.088 30 10 GBEE N#C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 597749623 LTLWPIFLDMJQGT-AWEZNQCLSA-N 394.453 -0.700 30 10 GBEE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 598007343 QGPMURQSSAXXQE-UONOGXRCSA-N 381.410 -0.061 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 659734361 CIAJHLALGPUJIN-HZPDHXFCSA-N 393.488 -0.558 30 10 GBEE C=CC[C@]1(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CCCN1 662739308 OFCSERKFXLQAEJ-CRAIPNDOSA-N 398.529 -0.868 30 10 GBEE C#CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 729330652 CPBFMOFTWVQHIS-PLPKTUSISA-N 376.434 -0.558 30 10 GBEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)c1cc[nH]n1 841456534 IGHVZQLYEQZEEJ-STQMWFEESA-N 381.433 -0.393 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC2Cc3ccccc3C2)CC1 872514848 AXSHDLPHYFIZSJ-UHFFFAOYSA-N 397.522 -0.184 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 875607901 PTKGVEZQHMYSIE-MRXNPFEDSA-N 378.473 -0.847 30 10 GBEE C#CCC1(O)CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 883349366 ZPDLJOMBGXTUGS-UHFFFAOYSA-N 375.516 -0.075 30 10 GBEE C#CCN(C(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1117846969 LKJORGSYJDZJOU-AWEZNQCLSA-N 397.497 -0.507 30 10 GBEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1261731774 FCCPCRPSKAMCSA-ZWKOTPCHSA-N 385.468 -0.330 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)c2ccnc3c(C(N)=O)cnn23)n1 1321006792 LELNTROOSUOASX-UHFFFAOYSA-N 381.396 -0.053 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 1328335149 WVQOEHXHIPGPOK-INIZCTEOSA-N 381.498 -0.278 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC(OC)(C(F)(F)F)C2)CC1 1335152920 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UMQLTMIRWJSKMY-BARDWOONSA-N 398.485 -0.631 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1705495895 XHNFQWAHGOHXJR-OLZOCXBDSA-N 385.490 -0.160 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C 1705904817 ZIXRDWWAKOYDMB-CHWSQXEVSA-N 383.474 -0.293 30 10 GBEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cn2)C(=O)C1 1854617621 QDDDLWUJTLKEDC-UHFFFAOYSA-N 387.215 -0.018 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[S@@](C)=O 2255948691 OOIOPWUWPVQHGA-HSZRJFAPSA-N 377.297 -0.624 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@]3(CO)C2)n1 2282505893 KQUUKMZSHIYQBP-MEDUHNTESA-N 383.279 -0.278 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CCOC[C@@H]2[C@@H](O)CO)OC1(C)C 2282511538 CHIZLHUGMSZNDV-MNOVXSKESA-N 384.263 -0.364 30 10 GBEE COC[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)OC 2282842380 XKQSXHDBQAEEMR-NSHDSACASA-N 389.283 -0.341 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccc(O)nn1 2282867988 GYYFZHCTBPFWKL-UHFFFAOYSA-N 382.211 -0.589 30 10 GBEE N/C(CN1CCN(c2nc[nH]c(=O)c2I)CC1)=N\O 168372290 JITZWAGABUTCBI-UHFFFAOYSA-N 378.174 -0.757 30 10 GBEE O=C1CN(/C(=N\C[C@H]2CCCO2)NC[C@@H]2CCS(=O)(=O)C2)CCN1C1CC1 262453931 WLQLXOPUFCXFQE-GOEBONIOSA-N 398.529 -0.148 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCC2(CS(C)(=O)=O)CCC2)CC1 413847304 RKBMNLHSMOVZHO-UHFFFAOYSA-N 386.518 -0.169 30 10 GBEE COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 570053359 IOJVLRFAORFOCK-SJORKVTESA-N 391.447 -0.033 30 10 GBEE CNC(=O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 579613606 WBWQOXVVWABNDB-UHFFFAOYSA-N 386.455 -0.612 30 10 GBEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)nc1 594620504 IRQGLPOFEMEROY-DLBZAZTESA-N 398.467 -0.684 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[C@H](Cn4ccnn4)C3)CC2)n1 595164752 FTVLYCWWAIKEFT-HNNXBMFYSA-N 394.439 -0.258 30 10 GBEE CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1 595952079 WPIKUROWHWQKPB-ZDUSSCGKSA-N 386.455 -0.612 30 10 GBEE Cc1cc(N2CCC[C@@H](N3CCN(CC(=O)NCCC#N)CC3)C2=O)n(C)n1 780565514 LBEQDJBBLXINAT-MRXNPFEDSA-N 387.488 -0.129 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 812536007 MYSUFKWSEHVWTI-QGZVFWFLSA-N 389.477 -0.016 30 10 GBEE C#CCN(CC(=O)N1C[C@H]2COC[C@]2(C)C1)CC(=O)N1C[C@@H]2COC[C@]2(C)C1 824561742 XZFZOVNHOXJCSD-JWWGGVBKSA-N 389.496 -0.089 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 861887191 XRWYFYMPKAWHOF-AWEZNQCLSA-N 395.437 -0.590 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc[nH]n1 863050018 SBCWYRACTMQNEP-NEPJUHHUSA-N 398.441 -0.128 30 10 GBEE C#CC[C@@H](COC)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 863793899 MMXNTZAJMJLAMN-AWEZNQCLSA-N 381.454 -0.179 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1120514440 VZEYEFZFKZALBF-CVEARBPZSA-N 399.513 -0.100 30 10 GBEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1148392655 CXXMDICBDINPOX-GFCCVEGCSA-N 377.401 -0.790 30 10 GBEE C#CCNS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 1207300996 ACQCFDXMFPSTFG-UHFFFAOYSA-N 384.414 -0.106 30 10 GBEE C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1291828354 SLLCBXPHNGXTBD-RFGFWPKPSA-N 378.429 -0.185 30 10 GBEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1300596856 XNRVNNWWTZNFOQ-QGZVFWFLSA-N 395.485 -0.477 30 10 GBEE CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1323387182 CRLWSPSGDAJPNP-INIZCTEOSA-N 398.467 -0.023 30 10 GBEE CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1328730366 ZOSFVLBGVFFVJW-GWQKEKGPSA-N 378.458 -0.730 30 10 GBEE C=CCN(C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CNC[C@H]32)C1)[C@H](C)COC 1330568184 PZKDETQPZMJMJO-BARDWOONSA-N 380.445 -0.571 30 10 GBEE C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(c2nccnn2)CC1 1338831504 WQGGCIIYHVMBHZ-OAHLLOKOSA-N 385.476 -0.068 30 10 GBEE CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1 1347749357 KBOPJLYCIOFEBR-MCIONIFRSA-N 379.442 -0.361 30 10 GBEE N#Cc1ccc(CNC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1349165382 MQDNMBAUMQDYIT-KRWDZBQOSA-N 377.422 -0.409 30 10 GBEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC(C)C 1507605091 MSTKGBIBCJYPGM-UHFFFAOYSA-N 382.490 -0.089 30 10 GBEE N#Cc1cc(Br)ccc1CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1557692650 ZUCGGPGBZYHIFB-RYUDHWBXSA-N 379.214 -0.092 30 10 GBEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@]34COCCN3C(=O)COC4)CC2=O)cc1 1595390135 WOWFFYXJOMSHHN-YWZLYKJASA-N 398.419 -0.345 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 1622726674 GEKGOTGZCCSVMW-UHFFFAOYSA-N 390.429 -0.721 30 10 GBEE COC(=O)c1ccn(CCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1626655306 CLKLXOCDMPJTTI-LRDDRELGSA-N 380.426 -0.153 30 10 GBEE N#C[C@]12CN(C(=O)NC[C@H]3CCCCS3(=O)=O)C[C@H]1CS(=O)(=O)C2 1680943380 DILMYMNCLZJNKC-OUCADQQQSA-N 375.472 -0.467 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)COCc3ncnn3C)C[C@H]21 1682305630 AVIMTLJSGHVJJH-JJXSEGSLSA-N 389.456 -0.018 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)CNC(N)=O)C1 1684643243 RHSINCYPYVVNLX-CTASWTNQSA-N 382.461 -0.384 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)CN(C)C2=O)CC1 1722441994 VPYADPDHCITWPV-FQEVSTJZSA-N 399.499 -0.366 30 10 GBEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1770783300 XXBXJPFFGCDSSK-UTUOFQBUSA-N 390.441 -0.398 30 10 GBEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)C1 1854642513 RCXFSWQJUXCXLC-HUUCEWRRSA-N 385.486 -0.138 30 10 GBEE CN(CCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C1=O 1856488707 KGRLFJVRVLEDOU-ZBFHGGJFSA-N 386.456 -0.030 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1=O 1872917633 HHJIYCSJPCZIBE-GJZGRUSLSA-N 397.497 -0.437 30 10 GBEE CN1CCN(CC#CCOC2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1889210620 KPFATMUOSUVZMT-UHFFFAOYSA-N 376.501 -0.133 30 10 GBEE C#CCN(CC(=O)N(CC(=O)O)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 2123552294 KREGSWYFTBCMHU-LBPRGKRZSA-N 388.442 -0.043 30 10 GBEE CC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282325355 DHVDDUVNVAEQCE-GHMZBOCLSA-N 388.299 -0.200 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CN2CC[C@H]1C2 2282347564 ZNBBSAPVEOXEDI-RYUDHWBXSA-N 382.295 -0.298 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCn2ccnc2)n1 2282498709 IEGKPODOXPKANE-UHFFFAOYSA-N 381.267 -0.106 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1CC(N)C1 2282834269 RGBIZDULFWCVBQ-UHFFFAOYSA-N 385.299 -0.480 30 10 GBEE C[C@H](CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)C 2282838925 WLKMZRCTZPBAIT-LLVKDONJSA-N 387.315 -0.267 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@](C)(O)C1 2282846477 KKWFLRDRNKEUES-OAHLLOKOSA-N 386.283 -0.350 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC23CC(CN2)C3)n1 2282846652 MOMOCWNSNCFFLB-UHFFFAOYSA-N 382.295 -0.250 30 10 GBEE Cn1nc(C(=O)NC[C@H](O)CC(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284420978 IQJKMBASHCGGLM-MRVPVSSYSA-N 387.629 -0.062 30 10 GBEE C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)O 262991736 LLPODHAWOPMNHZ-MWLCHTKSSA-N 375.403 -0.270 30 10 GBEE COCCCN(CCO)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 297778336 IVSVKIOHPMGIEI-UHFFFAOYSA-N 375.429 -0.541 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1[nH]ncc1C(=O)OCC 324639700 UDZUGKJDJBKXQY-SNVBAGLBSA-N 375.428 -0.603 30 10 GBEE CN(C[C@H]1CCCN(/C(O)=N/[C@H]2COC[C@H]2n2ccnn2)C1)S(C)(=O)=O 329443893 KNBPZJDACWRTGA-HZSPNIEDSA-N 386.478 -0.265 30 10 GBEE N#Cc1ncn(CCNC(=O)NC[C@@]2(CO)COCCN2Cc2ccccc2)n1 596598303 KPLZVWNZZAIHIY-LJQANCHMSA-N 399.455 -0.288 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(=O)c(O)cn2C)c1 750011960 SGMHRICEHMAXJW-UHFFFAOYSA-N 375.406 -0.068 30 10 GBEE C#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 839796501 FIMRLBNOVBWEJG-ZDUSSCGKSA-N 380.422 -0.013 30 10 GBEE Cn1c(=O)c2c(ncn2CCOC(=O)CC2(C#N)CCOCC2)n(C)c1=O 850297690 BBNSJMQYIRDBAT-UHFFFAOYSA-N 375.385 -0.313 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 929568067 RAIZAQJBWNXHSN-HNNXBMFYSA-N 388.472 -0.391 30 10 GBEE COC(=O)[C@]1(OC)CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1118890662 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GBEE CN1CC[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H](c2cnn(C)c2)C1 1470360108 CPUICYKAAKEJKC-CABCVRRESA-N 385.428 -0.594 30 10 GBEE CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1503835731 GEUYZZYDQDDGIF-CQSZACIVSA-N 380.409 -0.274 30 10 GBEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1522220370 NIOYVNRZKNZQSQ-MQYQWHSLSA-N 376.413 -0.833 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C3(CS(C)(=O)=O)COC3)CC2)c1C#N 1556217240 UHANAEDPPOMJCW-UHFFFAOYSA-N 381.458 -0.690 30 10 GBEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)CN1CCCCC1)c1cc[nH]n1 1570544028 TUZOQHBWPOVELY-CYBMUJFWSA-N 381.433 -0.344 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1cncn1C 1585907351 UFGABBGDWDOBOU-RISCZKNCSA-N 377.426 -0.192 30 10 GBEE N#C[C@]12CN(C(=O)CCOc3ccc(C(N)=O)cc3)C[C@H]1CS(=O)(=O)C2 1648156122 WLNNKBHBUXQHLR-SUMWQHHRSA-N 377.422 -0.049 30 10 GBEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1705843579 IZMCOXVAMSMFLH-ZDUSSCGKSA-N 383.474 -0.339 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCO[C@@H]1C 1722384087 SXQLCKFSNOPQBS-IIDMSEBBSA-N 392.481 -0.207 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1748959945 BFNHKJOABZRJCO-RDTXWAMCSA-N 376.461 -0.618 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC 1760116430 HETBPYAQWDTEOS-VXGBXAGGSA-N 389.503 -0.813 30 10 GBEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(=O)N(C)CC3)CC2=O)CC1=O 1856182609 JJTAWIXIMFOXCH-HUUCEWRRSA-N 376.457 -0.440 30 10 GBEE C#CC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)O 2059687497 NXHRPQDDXGGRAK-MNOVXSKESA-N 376.431 -0.093 30 10 GBEE COC[C@H](CF)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267719365 BISZXUVEJHZHAB-JTQLQIEISA-N 377.247 -0.018 30 10 GBEE Cc1cnc(C(=O)NCCNS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2281949488 KGEVXWJEFMCXLS-UHFFFAOYSA-N 383.279 -0.032 30 10 GBEE CN(C[C@H]1CCNC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282307601 FMHBTTAQICVXNE-NSHDSACASA-N 385.299 -0.656 30 10 GBEE C#CCC[C@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282409126 MXDGQKHMHVQOHA-LBPRGKRZSA-N 383.279 -0.228 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2282537682 UQFZTIXNLUEERM-PEGIJTEDSA-N 381.263 -0.508 30 10 GBEE C[C@H]1CN(C)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282835895 ZNMNAMJKLQFCQV-NSHDSACASA-N 385.299 -0.561 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC[C@@H]2C(N)=O)n1 2282843336 LVXMCSCEIRMDEM-LLVKDONJSA-N 384.267 -0.642 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@]2(CO)C1 2282868228 KTAFEUSNMNXBPH-ZUZCIYMTSA-N 384.267 -0.883 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H](CO)C(=O)O)OC1(C)C 2284411064 YYVAZLROTNFJOZ-NSHDSACASA-N 389.210 -0.151 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCN[C@@H]3C[C@H]23)n1 2359277261 YZHBDUMJISFNBW-KGYLQXTDSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CCOC[C@H]2[C@H](O)CO)OC1(C)C 2362499304 RVUUXMCDDNELKV-NWDGAFQWSA-N 384.263 -0.364 30 10 GBEE Cn1nccc1[C@H]1[C@H](N/C(O)=N/[C@H]2CCS(=O)(=O)C2)CC(=O)N1C1CC1 329000379 VPVWVEJHDYLLSD-JVLSTEMRSA-N 381.458 -0.085 30 10 GBEE CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CCCO1 349472591 WTBAFOLNAMKXRT-UHFFFAOYSA-N 377.448 -0.126 30 10 GBEE C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H](C)CO 410863573 IWIPQJRIHIFGAX-ZIAGYGMSSA-N 375.429 -0.808 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 492322464 ZQCNZWQVSLLMKL-IYBDPMFKSA-N 390.484 -0.002 30 10 GBEE C#CCNC(=O)CN1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 728572611 LRZWWNWCNRYHGK-UHFFFAOYSA-N 394.479 -0.145 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)cc1 735432795 VSNGXFGRTPJWBM-ZDUSSCGKSA-N 378.414 -0.122 30 10 GBEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCN1C1CC1 742665835 QWGDTNRWVRTJFS-AWEZNQCLSA-N 376.438 -0.242 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cnc(C)s2)CC1 807937396 CBSLJGWQDFDLGY-UHFFFAOYSA-N 379.486 -0.443 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1 931879925 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10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1 1623498919 JIDDJEKGVMZQFP-UHFFFAOYSA-N 382.420 -0.003 30 10 GBEE C#CCN(C(=O)c1cnn(-c2ccc(O)nn2)c1C)[C@@H]1CCS(=O)(=O)C1 1626434348 IAHZCNAPTHKPTK-GFCCVEGCSA-N 375.410 -0.061 30 10 GBEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1690527756 SRQYGWCONFCZKX-GFCCVEGCSA-N 391.519 -0.306 30 10 GBEE C#CCNC(=O)[C@@H](C)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1724972366 SVXJFXJSQBLCGL-MATIZBOZSA-N 386.496 -0.624 30 10 GBEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1748052579 MKGVJPCBYPIAKS-LJQANCHMSA-N 381.440 -0.180 30 10 GBEE C[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1751304213 IIWZHGFGBZDQLM-IGCXYCKISA-N 376.417 -0.237 30 10 GBEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 1852363580 GGKTUHRSJAQBSJ-INIZCTEOSA-N 376.438 -0.190 30 10 GBEE Cn1cc(C(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c(=O)n(C)c1=O 1854999056 YCXLNPVTHBXICJ-DZGCQCFKSA-N 399.451 -0.159 30 10 GBEE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281960331 YCYHNZXUJDNXDO-JQWIXIFHSA-N 383.279 -0.118 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](S(C)(=O)=O)C1 2282189278 HWXPKLGJOHRQPK-JTQLQIEISA-N 384.267 -0.627 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC12CC(O)C2 2282325889 LDQZTHYIHLJIEF-KGXJWFGYSA-N 384.267 -0.694 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)C(F)(F)C1 2282351267 YJQUJRHFNKBVLN-SNVBAGLBSA-N 393.221 -0.280 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3C[C@@H](O)[C@H]2C3)n1 2282505809 JMAWXUYNKOYSKF-RAIGVLPGSA-N 383.279 -0.137 30 10 GBEE CNC(=O)C[C@@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282510200 VRNCLVJDECPVHJ-SNVBAGLBSA-N 386.283 -0.478 30 10 GBEE Cn1ncc(C(=O)NCC2(S(N)(=O)=O)CC2)c1B1OC(C)(C)C(C)(C)O1 2282566536 AAHHNWOYPKDEDD-UHFFFAOYSA-N 384.267 -0.730 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@]3(O)C[C@@H]3C2)n1 2282836076 FNGNTLYOKSNKES-BDJLRTHQSA-N 383.279 -0.135 30 10 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CO[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCOC1 595132748 WCFNQWQEHKJPNW-JKSUJKDBSA-N 387.440 -0.230 30 10 GBEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1COCCN1C 600050469 KRZOJZYMIQDXRC-AWEZNQCLSA-N 376.413 -0.031 30 10 GBEE C#CCN1CCN(C(=O)CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 748809634 DQIUNZVCLGOJHG-AWEZNQCLSA-N 376.482 -0.138 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@](O)(C(F)(F)F)C2)c1=O 762169247 KATMRNPGXYTGCY-AWEZNQCLSA-N 376.335 -0.500 30 10 GBEE C#CCN(CC#C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 848959175 DINDHNPLVCLYCQ-AWEZNQCLSA-N 389.524 -0.455 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N(C)C[C@@H]2COCCO2)n1 850664431 WNFAINZXBVUQAD-MRXNPFEDSA-N 378.429 -0.635 30 10 GBEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(C#N)cc1 854382231 VJTVIDWOVLDGKF-GOEBONIOSA-N 375.381 -0.502 30 10 GBEE C=C1[C@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 900945899 KJLYHSJQZNMWLW-CMKMFDCUSA-N 386.452 -0.452 30 10 GBEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)N(C)C 1286269744 HNWPTIDYWQJEGD-ZDUSSCGKSA-N 382.490 -0.137 30 10 GBEE CN(C)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1297973009 ANZRFBSDQRKLRX-STQMWFEESA-N 375.433 -0.174 30 10 GBEE C#CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)C(=O)OC 1299179072 MSKBARDQAXLVHG-JTQLQIEISA-N 375.366 -0.608 30 10 GBEE CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1299295207 BOJZJQUKSDEPOT-HNNXBMFYSA-N 399.452 -0.495 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc(-n2ccnn2)c1)[C@@H]1CCS(=O)(=O)C1 1343279696 GUAOTDVVYSOBLB-OAHLLOKOSA-N 387.421 -0.145 30 10 GBEE C#C[C@H](NC(=O)C(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1)[C@H]1CCCO1 1349249517 JEVRVKPMEZTVEO-FIXISWKDSA-N 375.347 -0.190 30 10 GBEE C#CCN(C(=O)C(=O)NCC1(S(=O)(=O)N(C)C)CC1)C1CCN(C)CC1 1354869261 WEICCWFNIPSIES-UHFFFAOYSA-N 384.502 -0.917 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc(CO)nn1 1358948519 DVMWWYKTMVTYRB-CYBMUJFWSA-N 393.473 -0.576 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)CCOC)CC1 1359027913 ADKDGGIFQRDFIP-LJQANCHMSA-N 392.504 -0.041 30 10 GBEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCOC3)cc1 1448793566 GECUSGUPPJRXMP-UHFFFAOYSA-N 390.425 -0.070 30 10 GBEE N#C[C@@]12CN(C(=O)CNC(=O)COc3ccccc3)C[C@H]1CS(=O)(=O)C2 1456211196 JZHSQAGWFSHQBJ-GUYCJALGSA-N 377.422 -0.422 30 10 GBEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1507830585 JRMJJRBWZXLDLA-KBPBESRZSA-N 396.473 -0.084 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](CC(N)=O)C2)s1 1557817983 YFPCGCXBFLIGDE-LLVKDONJSA-N 387.483 -0.142 30 10 GBEE Cc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1559440282 GQSGUGGREIMMPU-UHFFFAOYSA-N 399.407 -0.721 30 10 GBEE COC(=O)CCNC(=O)CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565191126 MWEWJLXGIQBEAH-UHFFFAOYSA-N 388.428 -0.146 30 10 GBEE N#Cc1cn(CCNC(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)c(=O)nc1O 1585295375 FMMWXHBTSRGJKZ-FQEVSTJZSA-N 397.435 -0.036 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 1588812889 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30 10 GBEE CO[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N[C@@H](C)C#N)c2)C[C@H]1O 569379577 IRFPGVLQWBLFRW-ZLKJLUDKSA-N 389.455 -0.743 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 570127562 ZYCXDSLVKWTWPN-CABCVRRESA-N 377.489 -0.826 30 10 GBEE COCCOCCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 571029163 PURHFLNDXKXRJW-UHFFFAOYSA-N 375.429 -0.229 30 10 GBEE N#C[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCN1C1CC1 732647643 HJFWEBLHQUIQEM-ZWKOTPCHSA-N 389.500 -0.102 30 10 GBEE COc1cc(C)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)n1 781596437 FYSZEPVYGBIUAA-UHFFFAOYSA-N 381.414 -0.583 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(nc2O)CCC[C@H]3O)CC1 1152974443 SWZBOKIKMONHKP-OAHLLOKOSA-N 394.453 -0.618 30 10 GBEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc1 1308100026 LUQZHKKAZXMYNV-ZFWWWQNUSA-N 380.451 -0.403 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H](C)c1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 1321798077 PSFQRCXIMXNWSJ-QWHCGFSZSA-N 389.437 -0.445 30 10 GBEE 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10 GBEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)Cn3cnc(C#N)n3)CC2=O)C1 1603254589 OSSRBPBTAXZAHS-LLVKDONJSA-N 389.416 -0.514 30 10 GBEE COCc1noc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@H]2C(N)=O)n1 1614603968 KHQQBKNIPYJIMT-OLZOCXBDSA-N 391.409 -0.023 30 10 GBEE COC(=O)[C@]1(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 1643516437 IUQWTCSZACZJOZ-BZNIZROVSA-N 381.410 -0.639 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)CC2OCCO2)s1 1651194359 CKPOVLPPIQOMET-LLVKDONJSA-N 390.483 -0.005 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)N=S(C)(C)=O 1683218194 HWZRNRWMCRNDTH-LLVKDONJSA-N 379.446 -0.177 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CCS(=O)(=O)CC 1705902246 AFCMSXDVHLSHJM-ZDUSSCGKSA-N 385.490 -0.045 30 10 GBEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749667304 XSXIBVJLRHIQRZ-UHFFFAOYSA-N 375.477 -0.284 30 10 GBEE COCc1nc(CCN2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)no1 1853640378 LCFFJDJZRGZGAP-ZDUSSCGKSA-N 376.417 -0.583 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(CN)CN 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DUUSVCFREKQFFH-UHFFFAOYSA-N 387.440 -0.039 30 10 GBEE C=CCOCCNC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 643166765 CFJJDMGEONXLKD-LSDHHAIUSA-N 389.408 -0.152 30 10 GBEE C#CCNC(=O)[C@H](C)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 780565779 NNUOKGSKLNHFNS-IRXDYDNUSA-N 386.500 -0.021 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1)C1CCN(C)CC1 910882059 BWLYGVUFLSHGES-INIZCTEOSA-N 391.468 -0.420 30 10 GBEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1298543403 RBDLRYGHYUSBOA-NWANDNLSSA-N 379.388 -0.174 30 10 GBEE CC(C)[C@]1(CO)CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1328848688 PGHBIBKFCOLAKR-GOSISDBHSA-N 389.412 -0.929 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@H](C2CC2)O1 1329872890 BMDJFIQCYZHICE-QMTHXVAHSA-N 387.396 -0.770 30 10 GBEE CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1332527893 DFIVCUZFUNDPAT-KRWDZBQOSA-N 376.505 -0.673 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC1 1336222428 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AESBCSBUFUPXTE-UHFFFAOYSA-N 397.501 -0.798 30 10 GBEE N#CCCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4cnnc4C3)C(=O)C2)C1 1857152790 WVSWTYJBGPQKKW-JKSUJKDBSA-N 385.472 -0.111 30 10 GBEE C#CCNC(=O)[C@H](C)S(=O)(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2074763528 XLEVIJGCWFJNBF-QWRGUYRKSA-N 376.431 -0.093 30 10 GBEE C#CCNC(=O)CCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2132090355 YCUFUSGXKHFZMQ-MRXNPFEDSA-N 387.458 -0.676 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNCC12CC2 2282337666 ISEIXEIFYVVILW-LLVKDONJSA-N 382.295 -0.250 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C2(N)CC2)C1 2282350527 OFWFXUQDNGHTNL-UHFFFAOYSA-N 382.295 -0.169 30 10 GBEE C=C(CS(=O)(=O)N1CCNC[C@H]1C(=O)NCC)B1OC(C)(C)C(C)(C)O1 2282493140 RSUHSVZIISJZGT-ZDUSSCGKSA-N 387.311 -0.086 30 10 GBEE C[C@H]1CCNC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505039 XQXQTZWQWARGFX-AAEUAGOBSA-N 384.311 -0.004 30 10 GBEE C[C@@H](C#N)N1CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CC1 2356120897 XVZLSHFYUGWCRQ-AJNGGQMLSA-N 382.461 -0.226 30 10 GBEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 266534090 CNWQKYNNMAILME-LBPRGKRZSA-N 383.401 -0.074 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 594629149 KRRDDQHTLGXMPL-GANBNBROSA-N 389.480 -0.618 30 10 GBEE Cn1cc(S(=O)(=O)NN=C2COCc3cccc(Cl)c32)c(=O)n(C)c1=O 794524670 ZTROJWNWBVJTSO-UHFFFAOYSA-N 398.828 -0.050 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)CN2CCCC2=O)n1 803117823 GKFXXKDBEMPZLN-HNNXBMFYSA-N 389.456 -0.382 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(C(=O)CC)C2)n1 807840372 AOWLOTYMVMYNGW-HNNXBMFYSA-N 389.456 -0.382 30 10 GBEE CN(C)CCN1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1=O 844715479 XSTUIBPDSTZVPZ-UHFFFAOYSA-N 398.467 -0.014 30 10 GBEE C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C1CCOCC1 856107869 WHYJZXTZFHELBM-BLLLJJGKSA-N 393.465 -0.003 30 10 GBEE CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccsc2C#N)CC1 1212490069 GLJRUUBEJFTZRA-UHFFFAOYSA-N 392.528 -0.037 30 10 GBEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(CC(N)=O)C(=O)C3)CC2)nc1 1226375892 IDPWHVQAWVGXDN-UHFFFAOYSA-N 385.428 -0.739 30 10 GBEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1298543401 RBDLRYGHYUSBOA-BPLDGKMQSA-N 379.388 -0.174 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1322091197 ZZLYZAWGGDIHPA-CQSZACIVSA-N 377.422 -0.949 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCOCCS(C)(=O)=O 1328940808 BKTYTULXOGLTBR-OAHLLOKOSA-N 397.453 -0.773 30 10 GBEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1338992857 NUEGHRXGYXJAJV-SJCJKPOMSA-N 376.486 -0.045 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 1352929822 BSLKKXWBCKHAAZ-HZPDHXFCSA-N 393.484 -0.247 30 10 GBEE N#Cc1cnc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(Cl)c1 1464723892 IBLZDWQRGGCVCU-STQMWFEESA-N 384.845 -0.166 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@H]1C 1508086522 MCDKWVPLKKDKOS-NEPJUHHUSA-N 375.433 -0.802 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(=O)(=O)CC 1539178347 GZQGVXBAOKSGCI-GFCCVEGCSA-N 389.503 -0.811 30 10 GBEE C#CC1(O)CN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1603216128 FLDNVNSVDFZHAQ-MCIONIFRSA-N 398.481 -0.137 30 10 GBEE CNC(=O)C1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOCC1 1638437731 QOPMKHFUODYDNQ-UHFFFAOYSA-N 394.453 -0.178 30 10 GBEE C[C@H]1CN([C@@H](C)CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1686905281 XSHHMNGKZQYOAP-RWMBFGLXSA-N 378.433 -0.383 30 10 GBEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOCCCO)CCO1 1698490876 KSAKJGJADBDXNR-AWEZNQCLSA-N 378.433 -0.358 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1760522257 PAIIOKNDNCCPTL-RDBSUJKOSA-N 395.485 -0.150 30 10 GBEE Cc1nc(N(C)C)cc(N2CCN(CCn3cc(C#N)c(O)nc3=O)CC2)n1 1851381521 ISKNJFMORKUYLN-UHFFFAOYSA-N 384.444 -0.193 30 10 GBEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267377005 DMAXWDHYKWCOBG-DEOSSOPVSA-N 392.312 -0.018 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(CO)CNC2)OC1(C)C 2267713097 KYLXJEWZFRKHJF-UHFFFAOYSA-N 388.320 -0.093 30 10 GBEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)[nH]n2)OC1(C)C 2281990822 RUGSXWHCDZMENV-JGPRNRPPSA-N 381.263 -0.271 30 10 GBEE CCn1cc(C(=O)NCC2CS(=O)(=O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282050483 MWYGGCLCXOBSPI-UHFFFAOYSA-N 383.279 -0.023 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]12COC[C@@H]1C2 2282307025 WEJZPTCEPRMPCN-BONVTDFDSA-N 384.267 -0.571 30 10 GBEE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354895 XIBVVAWVHUDCHB-KGLIPLIRSA-N 384.263 -0.239 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H]3CNC[C@@H]32)n1 2282510573 AKWANDIXMXDRRM-NTZNESFSSA-N 382.295 -0.395 30 10 GBEE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282850756 SOVVLVHCSIODNB-NWDGAFQWSA-N 387.267 -0.589 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOC[C@H]1CN 2282862669 GRLPEICZAIQJHP-LLVKDONJSA-N 386.283 -0.933 30 10 GBEE C[C@@H](CC1CNC1)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282864959 NLHKLCJOSZNVSW-JTQLQIEISA-N 385.299 -0.609 30 10 GBEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508881650 RSQPGPZPTALZGY-INIZCTEOSA-N 390.488 -0.051 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCn3nncc3C2)c1 565726773 YWCNTSVQRMDCEG-UHFFFAOYSA-N 382.427 -0.716 30 10 GBEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 595123801 DLZFBMXUTVLIDX-IBGZPJMESA-N 375.473 -0.095 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1CCS(=O)(=O)c1ccc(C#N)cc1 599666359 NGISTJPNHXDLLB-CQSZACIVSA-N 387.483 -0.418 30 10 GBEE C#CCC1(O)CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 880481082 FFUHVKOXFYAXNQ-UHFFFAOYSA-N 397.483 -0.138 30 10 GBEE C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2OC)nn1 941842430 APOREGCMHXUTBI-QVHKTLOISA-N 390.444 -0.679 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC1CS(=O)(=O)C1 1116725168 SRYMRPLXBFXSGP-LLVKDONJSA-N 385.467 -0.224 30 10 GBEE O=C(CNS(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCN(O)C1=O 1141380360 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CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)C(=O)O)c(F)c2)OC1(C)C 2284417463 LOALAIAVLUYNNB-NSHDSACASA-N 389.210 -0.151 30 10 GBEE C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12[C@@H]([C@H](O)[C@@]3(O)O[C@H]1O)C(C)(C)CC[C@H]2O 257390257 BTWFVPFIPDEZTE-QLXCIKLLSA-N 380.437 -0.306 30 10 GBEE biogenic N#CCN1CCN(C(=O)c2cccc(C(=O)N3CCN(CC#N)CC3)c2O)CC1 280780619 CNPFEWUMHPHKOO-UHFFFAOYSA-N 396.451 -0.045 30 10 GBEE CCOC(=O)C1(O)CCN(CC#CCN2CCC(O)(C(=O)OCC)CC2)CC1 367463559 MLDVQBGTBYEWMF-UHFFFAOYSA-N 396.484 -0.230 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)n1 410447791 MCNUHEIPJPMRFH-HOTGVXAUSA-N 396.451 -0.129 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 468270145 KUIYYLJLIGFSAQ-KRWDZBQOSA-N 398.463 -0.048 30 10 GBEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 531591224 ASWKTNVZYRFWMK-HNNXBMFYSA-N 387.506 -0.811 30 10 GBEE Cn1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)c1=O 556039802 LWTQZBVFUAXOJB-UHFFFAOYSA-N 380.408 -0.383 30 10 GBEE Cc1ccc2c(c1C)NC(=O)C2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771896537 BWQGZBSBNNLIDR-UHFFFAOYSA-N 391.409 -0.664 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)CN2CCOCC2)c1 773370713 NHSLXWNKXVUEIG-OAHLLOKOSA-N 381.454 -0.979 30 10 GBEE C#CCN(C(=O)NCCS(=O)(=O)NCC1CCC1)[C@H]1CCS(=O)(=O)C1 774209005 FKFPTMGSSNYPHU-AWEZNQCLSA-N 391.515 -0.462 30 10 GBEE C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 854765715 IXPJZZCJSUTNEM-LBPRGKRZSA-N 378.454 -0.134 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN2C2CCOCC2)C1=O 932962132 KXHSCUQTSVIWOZ-HOTGVXAUSA-N 378.473 -0.399 30 10 GBEE C#CCN(C(=O)C(=O)NCC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1117592843 ZYLVLOIGBQWLTJ-ZDUSSCGKSA-N 383.470 -0.942 30 10 GBEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC 1286439586 SJBYHPYEWPIGTR-UHFFFAOYSA-N 375.458 -0.309 30 10 GBEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1301017237 HXZZZZMBVMAIOL-SNVBAGLBSA-N 376.870 -0.081 30 10 GBEE CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 1321944561 MZJLQJDQZKNRHF-UHFFFAOYSA-N 379.442 -0.847 30 10 GBEE C#CC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OC 1451183886 XLWQQQGXFRBFDN-CHWSQXEVSA-N 379.800 -0.005 30 10 GBEE CCOC(=O)[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC12COC2 1455487430 YHCGNLFYZGMDRF-KXEGMRRWSA-N 377.397 -0.059 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)C1=O 1557259444 QHJOCBMWMDVBLX-CQSZACIVSA-N 379.413 -0.353 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2nnnn2CC1 1630218929 BHZPOZXJTBZBOB-LLVKDONJSA-N 389.441 -0.377 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)OC)C1 1690669694 MJHYRYDVXZUYDA-NWDGAFQWSA-N 376.417 -0.469 30 10 GBEE C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCN(C)[C@@H]2CC)[C@H](OC)C1 1702310429 WJXPQSDIZPCMPP-ZJIFWQFVSA-N 378.473 -0.802 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(=O)COC 1736485870 XXAZCHNNTHGETF-OWYFMNJBSA-N 379.457 -0.070 30 10 GBEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1749064833 LEEMWTAYPJJSJP-MLGOLLRUSA-N 380.474 -0.230 30 10 GBEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1761462896 BRTXQOMIUCMCAR-WDEREUQCSA-N 381.466 -0.197 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC#CCN1CCOCC1 1850333711 FIGBUHYDJYOCJS-CQSZACIVSA-N 383.445 -0.056 30 10 GBEE O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCC#CCN1CCOCC1 1850337054 SDFDAIFOLNASCZ-UHFFFAOYSA-N 391.449 -0.327 30 10 GBEE COCCN(CC(=O)N1CC[C@@H](N2CCC(C#N)CC2)C1=O)S(C)(=O)=O 1857267024 TZHLLQGCUFJKNI-CQSZACIVSA-N 386.474 -0.743 30 10 GBEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3nccn3C)CC2)CC1 1889451750 MUVZMSLZPYEXTK-UHFFFAOYSA-N 395.529 -0.159 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(O)(CO)C2)OC1(C)C 2267707543 SNPGIINSDSFOSM-UHFFFAOYSA-N 390.292 -0.689 30 10 GBEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281990175 JSUPQTNZAAWOQS-WDEREUQCSA-N 385.251 -0.749 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCO)CCCN)c2)OC1(C)C 2282300163 BHCVUJOTNQZMAV-UHFFFAOYSA-N 385.295 -0.287 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CNC(=O)C1 2282339591 VRQVBFXURLCJCB-JTQLQIEISA-N 384.267 -0.866 30 10 GBEE C[C@@H]1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282597172 FONFDYHPRUVXMO-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CC#CC[C@@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849053 VVHSPMRNWFDJQF-LBPRGKRZSA-N 383.279 -0.228 30 10 GBEE CNS(=O)(=O)C1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283062669 PJGJAHOQVJYMKB-UHFFFAOYSA-N 382.251 -0.851 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H](C(=O)O)C1 2284393223 IOKMTIZHNDHPRV-MGCOHNPYSA-N 385.251 -0.139 30 10 GBEE N/C(=N/CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ncccn2)CC1 262572994 ZLOLQQYKUJSSFA-UHFFFAOYSA-N 386.460 -0.222 30 10 GBEE CNC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N[C@@](C)(C#N)C1CC1 507326712 ONOLDYGKHCAFRL-OALUTQOASA-N 388.472 -0.349 30 10 GBEE COC(=O)[C@@]1(OC)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 600290549 JTGAVMLKGGFGEG-MRXNPFEDSA-N 381.410 -0.373 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)CO)CC1 658820614 YRPHPKASBKQCNJ-CVEARBPZSA-N 380.489 -0.558 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 751985464 NMAJMHSWPIGYFF-UHFFFAOYSA-N 380.426 -0.208 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C 809896118 DYUIIIVKBQAXCO-QWHCGFSZSA-N 398.489 -0.536 30 10 GBEE C=C1[C@@H](C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)[C@H]1C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 831225765 IATJVNCIAUMPNZ-SVKJLMRNSA-N 392.452 -0.371 30 10 GBEE C=C1[C@H](C(=O)NCCN2CCO[C@@H](C)C2)[C@H]1C(=O)NCCN1CCO[C@H](C)C1 900485599 QZWZCKUCXUXFKI-MVJTYMMSSA-N 394.516 -0.538 30 10 GBEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134649067 CCRSFVPHJPOCDG-YVEFUNNKSA-N 399.469 -0.521 30 10 GBEE C#C[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1211984527 GCDNTNICABGJJE-MRVPVSSYSA-N 384.382 -0.068 30 10 GBEE O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1298425209 IIZRGCWSDUUNSD-NDBYEHHHSA-N 387.458 -0.798 30 10 GBEE CC(C)(C)CN(CCCO)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1323419420 IASVBPVTBQJIDX-PFONDFGASA-N 380.445 -0.114 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3C[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3)C2)c(=O)nc1O 1329306782 SERLXYNVZUTGLO-LWWSYDQCSA-N 383.408 -0.292 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCC2(CS(C)(=O)=O)CC2)C1=O 1329700123 ZGMPJXMJFCCPKD-ZDUSSCGKSA-N 385.486 -0.437 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H](C)CCC(=O)OC(C)C)[C@H]1CCS(=O)(=O)C1 1329943361 VQWURJWHRLDKOF-KBPBESRZSA-N 386.470 -0.128 30 10 GBEE C#CCN(c1nnc(C[C@@H](O)C2CC2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1358184871 DTTSPSDWIXRREC-LSDHHAIUSA-N 382.486 -0.135 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1490835271 DGZBGSWVNSTBCX-YJNKXOJESA-N 375.429 -0.742 30 10 GBEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)N(C)C 1539290306 DRLJGESHIBXXLE-UHFFFAOYSA-N 394.501 -0.229 30 10 GBEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1543694107 OLHVXRPGUHLQNX-UHFFFAOYSA-N 388.490 -0.868 30 10 GBEE CCc1cc(N2CCC[C@@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C2)ncn1 1627388491 IAIIQMPKGOHJSM-CQSZACIVSA-N 383.412 -0.042 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](Cc2nn[nH]n2)C1 1638182544 UWYFRZFBHSFFGD-LLVKDONJSA-N 389.441 -0.281 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(=O)Nc2ccccc2)CC1 1668860414 CKOFTOHSSDNSAT-UHFFFAOYSA-N 393.469 -0.190 30 10 GBEE Cn1ncnc1C1(O)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1671495851 XYCCUDFEPGFZBQ-NWDGAFQWSA-N 391.432 -0.213 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 1702178739 NIARNUQZXYPGNH-TUVASFSCSA-N 393.465 -0.243 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)COCc3nncn3C)C[C@H]21 1702426782 DIJDGFLSJZFYPA-FPCVCCKLSA-N 389.456 -0.018 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1705582420 ASSVNEMBXDNQSG-OAHLLOKOSA-N 392.481 -0.206 30 10 GBEE CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(C#N)c1)S(C)(=O)=O 1719818549 QTNRVKMDBMBYGS-RDBSUJKOSA-N 379.442 -0.361 30 10 GBEE 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IWUTUZWQJMTYLM-SRVKXCTJSA-N 387.267 -0.854 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H]3NCC[C@@H]32)n1 2359276365 MGVCYNBXSKHUCI-DRZSPHRISA-N 382.295 -0.252 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349604987 UIVJMKKEXJSLNO-AWEZNQCLSA-N 390.487 -0.504 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)CN2CCOCC2)c1 555535453 VNZRAVQLUCDXNP-HNNXBMFYSA-N 383.470 -0.426 30 10 GBEE CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC(=O)N(C)CC1 595961034 OCKNDXUUARZYFK-ZDUSSCGKSA-N 394.519 -0.662 30 10 GBEE N#CC1(C[C@H](O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCOCC1 599250294 LHRFBAFJCKRORL-INIZCTEOSA-N 394.472 -0.939 30 10 GBEE C=CCOCCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 658614459 NJNWFQDWNWLCSX-UHFFFAOYSA-N 375.385 -0.720 30 10 GBEE C#CCN(C(=O)c1sc(S(N)(=O)=O)cc1C)[C@H]1CCS(=O)(=O)C1 729335910 XHDHJJKYAUYJAC-JTQLQIEISA-N 376.481 -0.034 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21)c1cc[nH]n1 837098541 ZJGZEIOBXAQQGI-CHWSQXEVSA-N 398.441 -0.128 30 10 GBEE C#C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 854765829 KHXIEZHIOBLBRF-KGLIPLIRSA-N 386.857 -0.017 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1278805660 PDSINTQNBKDZJJ-ZXTQRBJTSA-N 380.445 -0.881 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1O 1281719469 HVNWMWGSRUVQFI-KKOKHZNYSA-N 393.362 -0.666 30 10 GBEE COC(=O)CC1(NS(=O)(=O)N(C)[C@@H](C)CC#N)CCS(=O)(=O)CC1 1321395768 KCWXYMDYDFNHFA-NSHDSACASA-N 381.476 -0.435 30 10 GBEE C#C[C@H]1CCCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)C1 1326755180 ONZROZRNVJPLJH-ZDUSSCGKSA-N 379.438 -0.297 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CNC(=O)C2)c1 1327252060 VGQUXXDDHIOFNJ-LLVKDONJSA-N 386.455 -0.755 30 10 GBEE C#CCN(C(=O)C(=O)NC1CCN(CC(F)F)CC1)[C@H]1CCS(=O)(=O)C1 1327967173 BVQIJLIGGQARSO-ZDUSSCGKSA-N 391.440 -0.519 30 10 GBEE C[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)CN1CCN(C)CC1 1329920314 IJRAWCORWNABNY-NVXWUHKLSA-N 376.505 -0.815 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1CC1CC1 1345174989 JAUABFZLFIKYAN-OAHLLOKOSA-N 378.477 -0.208 30 10 GBEE C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(C)CCC(=O)NC1 1351597537 YAXRPNOHCZRFCR-IBGZPJMESA-N 389.504 -0.110 30 10 GBEE C=CCn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1356176070 GNQHCZDCZPVKIP-UONOGXRCSA-N 389.460 -0.155 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)c1 1469176146 DYNXKEKGEWBAHT-OAHLLOKOSA-N 376.438 -0.335 30 10 GBEE C=CCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1488359507 BXJOLGUPQILGGT-YAWIJTDMSA-N 375.429 -0.563 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1508080867 SDEBRYRLERFPIE-KGLIPLIRSA-N 396.455 0.000 30 10 GBEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)nc1 1558465586 JMMSTNCQEFARRE-STQMWFEESA-N 377.426 -0.731 30 10 GBEE CO[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1572961093 JCCFMWQFGXVAFM-LVQVYYBASA-N 379.457 -0.199 30 10 GBEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1587862693 ZWZKUXWYYLUIFT-KGLIPLIRSA-N 395.485 -0.455 30 10 GBEE C#CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1663018458 BDXGZNIHJZUDJJ-QLJPJBMISA-N 381.410 -0.588 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)CN(C)S(C)(=O)=O)C1 1719718982 YGYPDRFRAPNAIS-TUVASFSCSA-N 387.502 -0.320 30 10 GBEE C#CCOCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1736424283 CZBBWIIWYKHRLF-LVQVYYBASA-N 379.457 -0.340 30 10 GBEE CN(C)S(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(C#N)c[nH]1 1736536814 ILQZEIYNRWOEKR-BZPMIXESSA-N 379.442 -0.361 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCNS(C)(=O)=O 1748856015 PWKMFYHHCNYGCV-UHFFFAOYSA-N 392.485 -0.587 30 10 GBEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)C1 1749038281 JJLBWMXJKLPQLN-ZDUSSCGKSA-N 397.526 -0.175 30 10 GBEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1NC(=O)NC1=O 1760095378 NNQYXEYNPUMMPH-STQMWFEESA-N 387.444 -0.040 30 10 GBEE Cn1cc(S(=O)(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c(=O)n(C)c1=O 2196829768 JAXOSSZSICTHDF-UHFFFAOYSA-N 385.251 -0.450 30 10 GBEE CC(C)[C@@H](C#N)CS(=O)(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2254612119 UNMDZGZGLLVRQD-LBPRGKRZSA-N 379.479 -0.050 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NCCS(N)(=O)=O)OC1(C)C 2255800895 WHYIIRPDSXFIRN-UHFFFAOYSA-N 396.321 -0.386 30 10 GBEE Cc1cc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267364288 XBRNNJRVOYLCPK-GHMZBOCLSA-N 388.320 -0.033 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NCCn3cnnn3)cc2)OC1(C)C 2282349005 SMLPEAZTDGCIKY-UHFFFAOYSA-N 379.251 -0.049 30 10 GBEE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505964 LMZOKVAOIUZEKN-VXGBXAGGSA-N 387.267 -0.589 30 10 GBEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1 2282834982 ZJQYSZXDRITUJL-GHMZBOCLSA-N 385.299 -0.467 30 10 GBEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)[C@H](O)[C@H](CO)C3)c2)OC1(C)C 2289398181 HYWLEEJTDLWALP-VHRBIJSZSA-N 383.275 -0.167 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CO 2359278179 BJCMAICBQNBKKK-BZPMIXESSA-N 383.275 -0.106 30 10 GBEE Cc1sc(C(=O)N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 2359279621 SRKVYHGBTKYBJM-BZPMIXESSA-N 383.275 -0.106 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)CN2CCc3ccccc3C2)c1=O 65510764 NKHSSLLLZZENTB-SFHVURJKSA-N 398.463 -0.037 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 108419893 ZYUMFUDGSWUKNW-SNVBAGLBSA-N 397.434 -0.973 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C[C@H]3CCCCN3C)CC2)C1=O 264523670 MUTJHHQRCUDETO-OAHLLOKOSA-N 391.472 -0.408 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H](O)C12CCC2 595960694 NUEIDKYPCNCLEC-AGIUHOORSA-N 379.504 -0.227 30 10 GBEE C#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 839194953 LWYCBODRCUDNKM-MRXNPFEDSA-N 395.456 -0.007 30 10 GBEE CN1CC[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2F)S1(=O)=O 861015235 HUBKHBAKJPUAHN-LBPRGKRZSA-N 375.403 -0.323 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)CC1 896149403 OFBVQJURTGTGPI-CVEARBPZSA-N 379.457 -0.419 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCCc2nc(C)ncc21)[C@@H]1CCS(=O)(=O)C1 1117372007 FECZHQWTSUTYDS-CZUORRHYSA-N 390.465 -0.072 30 10 GBEE N#CCc1cccc2c1CCN(C(=O)C(=O)N1CCC(S(N)(=O)=O)CC1)C2 1118901376 SXJIFKUSIWLZBD-UHFFFAOYSA-N 390.465 -0.083 30 10 GBEE COC(=O)[C@]1(O)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1153270753 YRQZGRVYYDJMHU-KRWDZBQOSA-N 395.437 -0.358 30 10 GBEE C[C@@]1(C2CC2)CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1261697541 PHCMSLFNILQMJE-JJJPLKNQSA-N 376.413 -0.344 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)OC)C1 1301475008 KCEHBQFZHDUZNW-CYBMUJFWSA-N 390.444 -0.184 30 10 GBEE C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1347516116 GZJVAKGMKCFJLV-XROPSADXSA-N 376.413 -0.201 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)nc(CO)n3C)CC1 1357898918 RYQJGUOXIXSUES-UHFFFAOYSA-N 383.452 -0.037 30 10 GBEE C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1 1490825002 XLOBVKYFRORNLI-UPJWGTAASA-N 376.417 -0.782 30 10 GBEE C#CCSCCn1c(CC2CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507754985 IAJAXAJYMBTMHM-AWEZNQCLSA-N 388.497 -0.256 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1508416101 DNAVTHOLMBDAOP-OLZOCXBDSA-N 398.489 -0.114 30 10 GBEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCCn2cnc(C#N)n2)C1=O 1525621017 RBCGQFSWVQTIKH-LBPRGKRZSA-N 376.417 -0.154 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(C(=O)NCCCO)CC1 1566369110 QITSIZQLVNVXLB-VLGSPTGOSA-N 378.429 -0.360 30 10 GBEE C#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1622334706 CATUHPLESZPVET-ZDUSSCGKSA-N 388.467 -0.630 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)C1CC1 1629970097 CFTLDPSBCNVEJH-NSHDSACASA-N 385.467 -0.082 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)CCO1 1648120615 PPRCIIVBXOLINR-UHFFFAOYSA-N 387.439 -0.696 30 10 GBEE CO[C@@]1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCS(=O)(=O)C1 1684251973 NNHDVJGWLJCEEM-QGZVFWFLSA-N 393.469 -0.011 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1722389497 IZTUEAKYYMUZAQ-ZDUSSCGKSA-N 390.473 -0.472 30 10 GBEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCCO)CCO1 1731191139 ZNBZXDDELNGZLM-KGLIPLIRSA-N 399.473 -0.692 30 10 GBEE C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(O)nnc1O 1757778787 YIQCSVORQPQIKC-LOWDOPEQSA-N 379.417 -0.081 30 10 GBEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 1760120515 MTXZEHDFGFLHDH-GUYCJALGSA-N 395.485 -0.592 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CC=CCC3)C(=O)C2)C1 1856855308 WCDXOUJHJRSZNT-CABCVRRESA-N 380.470 -0.059 30 10 GBEE C=CCNC(=O)c1nc(C(=O)N2CCO[C@@H](C(=O)N3CCOCC3)C2)cs1 1891566775 GKMNDLCIXYKLIQ-CYBMUJFWSA-N 394.453 -0.241 30 10 GBEE COC[C@H](CF)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267469020 ZTNLNVZBWQNBOC-JTQLQIEISA-N 377.247 -0.018 30 10 GBEE Cn1cc(C(=O)N2CC(CS(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281967478 PKHWHXUVBZRTSV-UHFFFAOYSA-N 383.279 -0.164 30 10 GBEE Cc1cc(S(=O)(=O)NC[C@H](O)C(N)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282304355 JPGFOPMFXZSTSA-ZDUSSCGKSA-N 384.263 -0.581 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1[C@H]2CC[C@H]1COC2 2282322337 KHWDZXKUICQHSH-QWRGUYRKSA-N 384.267 -0.334 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)CO 2282322702 PXTUZZWJHCYDNF-JTQLQIEISA-N 388.299 -0.200 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]12CCNC[C@@H]1C2 2282339277 SYSBJGWLDKUOHA-MEDUHNTESA-N 382.295 -0.250 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](O)[C@H](CO)C3)cc2)OC1(C)C 2282352169 KUTKSKXYKZNGPM-SWLSCSKDSA-N 383.275 -0.041 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCNC[C@H]2F)n1 2282503817 GHRISQBYMZHDKG-VXGBXAGGSA-N 388.274 -0.302 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@H]1CCNC1 2282848112 JGOPBBQZDVRGAY-GFCCVEGCSA-N 384.311 -0.003 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1COCC[C@@H]1N 2282853172 ZEOFNGGIXKSOJJ-WDEREUQCSA-N 386.283 -0.886 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCNC[C@H]3CO)c2)OC1(C)C 2282868246 KXSFPSKBYZRHFR-ZDUSSCGKSA-N 383.279 -0.664 30 10 GBEE C=C(CS(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2282873950 SLVWNDGSEKEMSL-NSHDSACASA-N 385.251 -0.260 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)N1CC[C@H](C#N)C1 2333598222 AXWUAEMSTOOENA-LPWJVIDDSA-N 390.462 -0.993 30 10 GBEE COCC[C@@H](COC)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 576556903 TVECOPLIPAEIKF-AWEZNQCLSA-N 386.412 0.554 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1 595965943 UZDPAIFHFBUMDI-AWEZNQCLSA-N 390.487 -0.504 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCc2nnnn2-c2ccccc2)CC1 604194527 OFSVPGHBEQYZGP-UHFFFAOYSA-N 384.444 -0.208 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CCO)CC1 658847803 NLCSAFSODLTTBG-HZPDHXFCSA-N 380.489 -0.558 30 10 GBEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C)c2=O)cn1 735068432 AZAQOPUIJUUPBW-UHFFFAOYSA-N 375.454 -0.681 30 10 GBEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 764369958 BKFBLBIUFHBRLV-OAHLLOKOSA-N 386.495 -0.690 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCNC(=O)c1cccnc1 846722428 SUDGUKHXUXGSJD-QGZVFWFLSA-N 395.419 -0.009 30 10 GBEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCS(=O)(=O)C1CCOCC1 1158647857 IBYCMCQKQBIYDD-NXVVXOECSA-N 385.442 -0.387 30 10 GBEE N#Cc1cn(C2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)c(=O)nc1O 1329189735 CFZCWFGUCSADQZ-CQSZACIVSA-N 388.428 -0.360 30 10 GBEE COC[C@H](CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)OC 1330333763 OTPIJRDRWQWDFK-HNNXBMFYSA-N 375.429 -0.230 30 10 GBEE CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1CCN(C)CC1 1332411694 WLIFDKCGXRQUHS-QZTJIDSGSA-N 390.532 -0.427 30 10 GBEE C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1332837227 JCXJYYBDFYLYSH-DNVCBOLYSA-N 395.456 -0.993 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CCOCC3)CO2)C1=O 1335602765 SQVPULKNXYLLLL-GJZGRUSLSA-N 379.457 -0.066 30 10 GBEE 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N#CC1(C[C@@H](O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CCC1 1167778752 KAGOSVRCYITSNJ-JKSUJKDBSA-N 398.529 -0.648 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)cc1 1171154352 SZQNWDQAAWCLHF-DLBZAZTESA-N 389.433 -0.183 30 10 GBEE Cn1c(=O)[nH]c(N2CCC(S(=O)(=O)N3CCCCC3)CC2)c(C#N)c1=O 1187701922 LNDUNFWZWGLZCY-UHFFFAOYSA-N 381.458 -0.270 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)CC1 1336544552 KZPNWUWSXGHABT-CALCHBBNSA-N 382.482 -0.354 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359293035 FHFKKGXKBGJQDI-UONOGXRCSA-N 394.476 -0.029 30 10 GBEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439797316 QDZSCRKWKLKSRI-SGMGOOAPSA-N 375.472 -0.803 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(C)c2)CC1 1507728432 YGQDBGCOZCMTFJ-UHFFFAOYSA-N 382.472 -0.063 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNS(C)(=O)=O)CC1 1588947790 WZPNZJHQYPCHSD-UHFFFAOYSA-N 382.490 -0.645 30 10 GBEE N#C[C@@]12CN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)C[C@H]1CS(=O)(=O)C2 1626656011 QBUBMAVGMLCMEL-LRDDRELGSA-N 394.453 -0.362 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)NC(=O)OC(C)(C)C)CC1 1643372375 IPDRDAZNTBNYKM-ZDUSSCGKSA-N 388.490 -0.099 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1690660516 IZLLUJHUDMJUGU-NSHDSACASA-N 388.519 -0.256 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1705891059 WRRFMIIMOVCRBJ-NWDGAFQWSA-N 386.478 -0.503 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 1757624924 OOQOXVIVSPASRB-MIGQKNRLSA-N 391.472 -0.308 30 10 GBEE COc1cc(C=NN=C2NC(=O)[C@H](CC(=O)NCC(=O)O)S2)ccc1O 1772721684 OLCKTTCTOGPNLZ-NSHDSACASA-N 380.382 -0.087 30 10 GBEE Cn1cc(C(=O)N2CCCC[C@H](N3CCC(C#N)CC3)C2=O)c(=O)n(C)c1=O 1855584249 YGZDKWXREXGFKG-HNNXBMFYSA-N 387.440 -0.159 30 10 GBEE CC1(C)OB(c2nc(=NS(=O)(=O)N3CCC[C@@H](O)C3)s[nH]2)OC1(C)C 2110099488 CQXAVOPZYCGSHQ-SECBINFHSA-N 390.296 -0.627 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@@H](CS)C(=O)O)O[C@@H]2C1 2253897840 LEVFZYWSENRMKJ-UKKRHICBSA-N 376.431 -0.111 30 10 GBEE CC(C)(C)OC(=O)NCC(CO)(CO)N=C1NS(=O)(=O)c2ccccc21 2265806122 DJSUPWAXHCAFGN-UHFFFAOYSA-N 385.442 -0.027 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H](O)C(F)F 2267719312 AZOUZLWPQRKQFW-SSDOTTSWSA-N 382.198 -0.981 30 10 GBEE CC(C)(C)OC(=O)NC(CO)(CO)CNS(=O)(=O)c1cccnc1C#N 2270670391 RZKFMWFLJPDKTB-UHFFFAOYSA-N 386.430 -0.520 30 10 GBEE Cn1cc(C(=O)N2CCS(=O)(=O)CCN2)c(B2OC(C)(C)C(C)(C)O2)n1 2281974082 VXWCUPBVFRNWSS-UHFFFAOYSA-N 384.267 -0.906 30 10 GBEE C[C@@H]1CCN[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339720 WRBAXCKUGCJFBH-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(C)CC(N)C1 2282868102 IWAMVZWSWGQFOR-UHFFFAOYSA-N 385.299 -0.480 30 10 GBEE Nc1ncnc2c1nc(N/N=C/c1cccs1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 257372908 YUVTUYJOQQZKEH-WSWFUCOPSA-N 391.413 -0.473 30 10 GBEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 265366773 WXABJYVVXAOTSS-AWEZNQCLSA-N 394.453 -0.309 30 10 GBEE CCN1CCN(C[C@H](C)C/N=C(/O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 331299950 PCMFJUALFDXPTQ-HUUCEWRRSA-N 375.539 -0.203 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CCOCC3)CC2)CC1 459889583 VKOCZOOBURZYFZ-UHFFFAOYSA-N 392.500 -0.148 30 10 GBEE Cc1cncc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 595167361 ADOBYSBMOZPXOB-UHFFFAOYSA-N 396.455 -0.294 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnc(N(C)C)nc2)n1 789787742 LDQNPRPMTNMOFN-UHFFFAOYSA-N 385.428 -0.014 30 10 GBEE C#CCONC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 855606399 GYVLGIAHLUPWOM-UHFFFAOYSA-N 383.401 -0.027 30 10 GBEE C#CCC(C)(C)c1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1CCOC 1122281534 AREWYSRYEATXQY-CYBMUJFWSA-N 382.490 -0.436 30 10 GBEE CCN(CCC#N)S(=O)(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 1321233966 PQNDPNKUYOXHRP-UHFFFAOYSA-N 381.476 -0.433 30 10 GBEE CC1(C)CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCS1 1328923748 KXEWGLLAEGBESD-UHFFFAOYSA-N 377.426 -0.442 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2COC[C@]2(C)C1 1330416033 BHMGNPDZDSSEHN-LPMFXHHGSA-N 384.440 -0.120 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)nn1 1332768680 NVQJGLRSYQPPBN-HUUCEWRRSA-N 377.493 -0.722 30 10 GBEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)N(C)C 1359022661 IKLCZWODWCFURP-UHFFFAOYSA-N 393.473 -0.288 30 10 GBEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCNC(=O)C1 1359333889 NFHLZQUNSZLBBJ-UHFFFAOYSA-N 390.469 -0.199 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@](C)(Cn2cccn2)C(N)=O)CC1 1460927150 ZFDZNPPFAXXQDX-CRAIPNDOSA-N 375.477 -0.591 30 10 GBEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1475730788 DRPDTMAWBSGFMJ-NSHDSACASA-N 380.478 -0.211 30 10 GBEE C#CCNC(=O)CNCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCOCC1 1502631794 KOLXUTMOLGBKHL-YQQAZPJKSA-N 379.457 -0.958 30 10 GBEE C#CC[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)C(=O)OC 1626188416 YEKZPRIKJRADNR-CYBMUJFWSA-N 387.396 -0.598 30 10 GBEE N#C[C@@]12CN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@H]1CS(=O)(=O)C2 1634560556 ZQTXINXJUMFIQC-CPCISQLKSA-N 378.336 -0.097 30 10 GBEE C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](C(F)(F)F)C1 1703047371 QMXKSAWUJPOPCL-WRWGMCAJSA-N 375.347 -0.347 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1705573491 HTJIUJJJZUTAFJ-AWEZNQCLSA-N 395.485 -0.497 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCCO)CCO1 1731191141 ZNBZXDDELNGZLM-ZIAGYGMSSA-N 399.473 -0.692 30 10 GBEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O 1760465016 VBPCCTDPVLHSRX-RYUDHWBXSA-N 396.473 -0.209 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1772566546 FUOBVNVSQPMNGB-AWEZNQCLSA-N 389.460 -0.364 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCCN(CCOC)CC1)c1cc[nH]n1 1772955561 VBWCPGNMXPRJQG-UHFFFAOYSA-N 381.433 -0.126 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 2282189493 ANNWHMAOTRFRRQ-JTQLQIEISA-N 384.267 -0.721 30 10 GBEE Cc1nn[nH]c1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282344522 LNPAYTGUTMJFGD-UHFFFAOYSA-N 382.255 -0.376 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCO[C@H](CO)C3)c2)OC1(C)C 2282349824 DJNJRRLDZJXTAD-ZDUSSCGKSA-N 384.263 -0.237 30 10 GBEE CO[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N 2282506438 SCVJIYMZQKIJJM-NWDGAFQWSA-N 386.283 -0.934 30 10 GBEE COC[C@](O)(CO)CNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2282593094 LZMISBZVJLWZIV-MRXNPFEDSA-N 386.279 -0.150 30 10 GBEE C[C@@H](F)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284395654 NXGLQGKMJDWPJI-KCJUWKMLSA-N 391.230 -0.191 30 10 GBEE C=C[C@H](NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398273 WDYUYTRHEKSHLG-JTQLQIEISA-N 385.251 -0.055 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(CC(=O)O)CC1 2284408949 CNHDFYZRZCMVBM-UHFFFAOYSA-N 386.239 -0.600 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NC(C(=O)O)C(=O)O)OC1(C)C 2284411445 KDMMDRVDVDDFRZ-UHFFFAOYSA-N 385.203 -0.198 30 10 GBEE CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 281089111 CYFXKFPKMIRYSH-UHFFFAOYSA-N 376.435 -0.096 30 10 GBEE C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC(=O)N1C 349488001 DPGHIPQBIAZGJU-GFCCVEGCSA-N 394.519 -0.567 30 10 GBEE CNC(=O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 349526551 UFLLDDLQBSLILY-NWDGAFQWSA-N 380.492 -0.910 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1CCO 427431262 IBEFVXOXHLODJB-CQSZACIVSA-N 397.439 -0.338 30 10 GBEE N#CCNC(=O)CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 511917109 RSHVSXLYCYXFGL-HOTGVXAUSA-N 384.440 -0.476 30 10 GBEE CCNC(=O)C1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 539196156 OIFLMSCNRACCKS-UHFFFAOYSA-N 381.396 -0.269 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 541362358 IVIOYNUQFDKVLC-UHFFFAOYSA-N 377.449 -0.582 30 10 GBEE C#CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H]1CCS(=O)(=O)C1 729332593 QJJFSHNCHVMBIT-GFCCVEGCSA-N 396.446 -0.520 30 10 GBEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 854765671 PGNMJSUKYNSXQB-ZDUSSCGKSA-N 398.437 -0.033 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(C)c1Br 866552569 BPIDPWSZSZGDPJ-VIFPVBQESA-N 396.288 -0.006 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccccc2S(=O)(=O)CC)CC1 906554597 GKPQGXIILAZUOS-UHFFFAOYSA-N 391.493 -0.084 30 10 GBEE C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@@H](C)N1CC#N 922480496 GNBNHMGOMSSBNS-RBSFLKMASA-N 386.522 -0.115 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 1120323915 LCIHBSSKTBHBJZ-UHFFFAOYSA-N 384.436 -0.257 30 10 GBEE CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1177018208 NKBMSDDIUZOEJE-UHFFFAOYSA-N 394.453 -0.302 30 10 GBEE Cn1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc2c1=O 1180988707 GTIOMYMGUBWZCP-UHFFFAOYSA-N 378.348 -0.235 30 10 GBEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1316100909 AHONYXCIXIYILQ-UHFFFAOYSA-N 387.448 -0.056 30 10 GBEE CCC[C@]1(CO)CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1331627945 FUAAUBMPYQYGNM-SFHVURJKSA-N 389.412 -0.785 30 10 GBEE CC(C)[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1CCCS1(=O)=O 1334357885 IFOXRNBPTUKCHG-MRPLLJTBSA-N 384.458 -0.311 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCCCN2CCNCC2)C1=O 1335236329 LPMXEKGEDNYFDZ-INIZCTEOSA-N 379.505 -0.577 30 10 GBEE C#CCN(C(=O)C(=O)N1CC[C@](OC)(C(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1345476345 OHPMCRBCMGLJAQ-SMDDNHRTSA-N 396.387 -0.185 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@@H]1C 1345639601 SNOBHSIGTQBSBO-KBXIAJHMSA-N 387.502 -0.035 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@]1(C)CCS(=O)(=O)N1 1356279286 WMRIMKFENWFEAU-MLGOLLRUSA-N 378.458 -0.143 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)N(C)C)CC1 1359030099 ODHXHNVEVCSEQA-HNNXBMFYSA-N 378.477 -0.155 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(CO)nn1 1508416430 FUGMUZZJBOGBLK-TZMCWYRMSA-N 387.448 -0.001 30 10 GBEE Cn1cc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC2=O)cn1 1539126680 SQCCYKVIYDHBST-GDZNZVCISA-N 391.453 -0.440 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](Cc2nn[nH]n2)C1 1638182545 UWYFRZFBHSFFGD-NSHDSACASA-N 389.441 -0.281 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 1663863360 DBZPSGBPDVITRT-UHFFFAOYSA-N 388.496 -0.465 30 10 GBEE CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)O1 1680889214 KVOPYPSZQNRJJC-VPWBDBDCSA-N 384.458 -0.798 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)C1CC1 1690059671 VKGJJCYVNKKZCM-GFCCVEGCSA-N 382.490 -0.126 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1738417579 QZDHSXXOHYVIGV-DGAVXFQQSA-N 382.461 -0.589 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H](C)S(C)(=O)=O)nn1 1757740863 JHQOLJDQFVOHRM-OPDFLTKYSA-N 381.458 -0.241 30 10 GBEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)Cn3cccc3)C(=O)C2)C1 1856831009 WEODWPXLPJUPTQ-CQSZACIVSA-N 379.442 -0.913 30 10 GBEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCN(CCO)CC3)ncnc21 1873561905 FDGOTSYUESNLMS-UHFFFAOYSA-N 388.472 -0.204 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CNC[C@H]3O)c2)OC1(C)C 2267411960 GOMQSDWDJSYKFX-ZYHUDNBSSA-N 388.320 -0.094 30 10 GBEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCNS(N)(=O)=O 2282109664 JWHUHVRSMAPURJ-UHFFFAOYSA-N 383.279 -0.183 30 10 GBEE CN(C)S(=O)(=O)CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2282593627 SXCQKBZKUUZQIH-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3CNC(=O)O3)c2)OC1(C)C 2282833766 JWOYDEUJUNGMRK-NSHDSACASA-N 383.235 -0.233 30 10 GBEE C[C@@H](F)[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284415427 XQMHHNBXWJOYNI-SFYZADRCSA-N 392.218 -0.796 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@@H](O)[C@@H](CO)C3)cs2)OC1(C)C 2289410374 ZAHITGDEYJIREE-DYEKYZERSA-N 383.275 -0.167 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@H]2C(=O)NC[C@@H]2C(=O)O)OC1(C)C 2362564781 VPJXAWXQHNLJIK-IONNQARKSA-N 381.219 -0.629 30 10 GBEE C#CC(CO)(CO)N[C@]1(C(=O)O)C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2379604351 XTFFSCWVUFSRRQ-VBHSOAQHSA-N 384.429 -0.446 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1 349609055 HQVMMOPTZFYQIW-OLZOCXBDSA-N 379.504 -0.273 30 10 GBEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](O)(C(N)=O)C2)CC1 375700246 DOXYKAGIWRVTIJ-GUYCJALGSA-N 377.470 -0.621 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)C[C@@H]12 597347969 SWKQGBHJYWETGX-XHSDSOJGSA-N 391.449 -0.361 30 10 GBEE Cc1nc(NC(=O)C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)ccc1C#N 600022919 USZIVSIPHFETHU-LJQANCHMSA-N 387.440 -0.068 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)n1 822559660 HWXOPPKSZGIILE-QGZVFWFLSA-N 399.455 -0.054 30 10 GBEE CN1CC[C@H](C(=O)OCC#CCN2C(=O)c3ccccc3C2=O)S1(=O)=O 859732598 QIUIARNQQDDSIM-CQSZACIVSA-N 376.390 -0.137 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(OC)CCSC2)CC1 896622551 VPJGRZYHPDKQLC-AWEZNQCLSA-N 376.504 -0.697 30 10 GBEE C#CCN(C(=O)[C@@H]1CCN(C)C1=O)C1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1 1332383730 IVTMAYRLGGHRPK-HZPDHXFCSA-N 388.468 -0.604 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1343764885 VHLPJBIFTHHEMM-QPSCCSFWSA-N 376.461 -0.315 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCN1CCCC1=O 1344796146 PSGHKVVAEBNHNH-AWEZNQCLSA-N 399.455 -0.486 30 10 GBEE CC(C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CS(C)(=O)=O 1479283712 MHUALFDKNAKNKO-SMDDNHRTSA-N 377.488 -0.363 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 1561149445 VHIGQBABRAYNOT-NSHDSACASA-N 384.435 -0.172 30 10 GBEE C#CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C(=O)OC 1629617213 KDGYVKVBCNAUEI-KBPBESRZSA-N 377.372 -0.591 30 10 GBEE CS(=O)(=O)C[C@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672357362 IJLWAEYGVPMLKD-HUUCEWRRSA-N 394.453 -0.636 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nnc3n2CCC3)CC1 1677978917 OREYPIPYHDJFRD-GFCCVEGCSA-N 381.462 -0.920 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1O 1683515485 VNWMMPGUGWWSAC-ZSAUSMIDSA-N 394.472 -0.494 30 10 GBEE CC(=O)N[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC(C)(C)C)C(N)=O 1702976643 OUTKLQQUMCXBCK-KBXIAJHMSA-N 376.457 -0.336 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1O 1739468640 GJUQOJOUHWLKIF-FPCVCCKLSA-N 379.413 -0.221 30 10 GBEE C#CCN(c1nnc(C2CC2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1740622821 JANVIWYRTYPAPO-CYBMUJFWSA-N 375.458 -0.041 30 10 GBEE COCc1nc(CCN2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)no1 1853640377 LCFFJDJZRGZGAP-CYBMUJFWSA-N 376.417 -0.583 30 10 GBEE COCCN(CC(=O)N1CCN([C@@H](C)CCC#N)[C@H](C)C1=O)S(C)(=O)=O 1856218829 RPCFOXNZWVAWNS-UONOGXRCSA-N 388.490 -0.354 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N[C@@H](CS)C(=O)O 2059668580 WKJSSHJBXSMZRS-ZJUUUORDSA-N 396.487 -0.090 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)C(=O)O)s2)OC1(C)C 2256910854 UPLSFTIGEIGGGC-QMMMGPOBSA-N 377.249 -0.229 30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CONC2=O)OC1(C)C 2267469938 COEONHCTJYCNHS-JTQLQIEISA-N 388.276 -0.103 30 10 GBEE 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380.426 -0.247 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)c2nc(S(N)(=O)=O)c3ccccn23)C1=O 1618021398 HKQACOZUWAJFGE-LBPRGKRZSA-N 377.426 -0.159 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)OCCO3)CC1 1682347312 VZTBOVTYHKOTAD-UHFFFAOYSA-N 394.453 -0.247 30 10 GBEE NC(=O)[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698500944 ZEVUWIUMCFMCQR-YVYFARNLSA-N 385.428 -0.007 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1702741224 FBCMKCMIOGBTES-WCVJEAGWSA-N 379.457 -0.489 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(N)=O)CC1 1736477250 RXRBCOAWKUNDRP-QPSCCSFWSA-N 376.457 -0.029 30 10 GBEE CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1747410953 HHQJRTQGZTXGON-GFCCVEGCSA-N 384.462 -0.420 30 10 GBEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C1CS(=O)(=O)C1 1890929853 JBGUAODEGNSHKJ-RYUDHWBXSA-N 388.442 -0.093 30 10 GBEE Cn1ncc(C(=O)NC[C@@H]2CCS(=O)(=O)N2)c1B1OC(C)(C)C(C)(C)O1 2281828700 NUIOULDBBITLPR-JTQLQIEISA-N 384.267 -0.859 30 10 GBEE CO[C@@H]1CC(=O)N(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282328528 YXINFPSWLLQQFF-SECBINFHSA-N 386.239 -0.950 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(C2CNC2)CC1 2282345383 PABMDXVZFKHECR-UHFFFAOYSA-N 382.295 -0.250 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]1(CO)CCOC1 2282345635 QFSXHGZHYUQILQ-HNNXBMFYSA-N 387.267 -0.851 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3CC4(CNS(=O)(=O)C4)C3)o2)OC1(C)C 2282633897 FADCDTRPTOCGSK-UHFFFAOYSA-N 382.247 -0.046 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cncnc1 2282836846 PUCAVBMMSLRYED-UHFFFAOYSA-N 380.239 -0.617 30 10 GBEE CON(C)C(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282852574 QSJCGBHFKLIOND-UHFFFAOYSA-N 388.255 -0.983 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@@H]1C(=O)O 2284416873 DCYBHHJGWMXELG-CABZTGNLSA-N 385.251 -0.187 30 10 GBEE N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1 349487559 CQLZMNSHOUQIHO-ZDUSSCGKSA-N 377.488 -0.519 30 10 GBEE Cn1c(=O)n(CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc21 530265812 ISOOEAPFHZJQGF-UHFFFAOYSA-N 394.391 -0.052 30 10 GBEE C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 538602168 HSVRFWJVZQKASU-UHFFFAOYSA-N 383.474 -0.154 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1(C(=O)O)CCC1 595276613 RIPSKXKKROLOTJ-GFCCVEGCSA-N 386.412 -0.244 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)Cc1ccc(F)cc1C#N 599506658 ICCLSPYVODBPHD-CQSZACIVSA-N 391.446 -0.223 30 10 GBEE C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 636971651 XFZALPCYKPFVBA-HNNXBMFYSA-N 394.497 -0.103 30 10 GBEE C=CCCOC(=O)[C@@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 835837501 LHFMLSZIACSQOK-LLVKDONJSA-N 378.385 -0.125 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(N(C)C)c2)CC1 872515742 UUIWTBYDAXLOIK-UHFFFAOYSA-N 386.499 -0.474 30 10 GBEE N#Cc1cn(CCO)c(=O)n(CC(=O)c2cc3c(cc2F)NC(=O)CC3)c1=O 1189745232 CCGNAPYAASIBMX-UHFFFAOYSA-N 386.339 -0.219 30 10 GBEE CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 1261862478 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PYGSCFJERBAYEN-XGUBFFRZSA-N 375.425 -0.188 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 1352767533 GYXINZLCEMBWJF-MRXNPFEDSA-N 376.457 -0.063 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)O)CC1 1359044795 OUAVENKZXMNPCV-AWEZNQCLSA-N 388.472 -0.034 30 10 GBEE C#CCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 1468613977 KZEJKQJDKXANPV-DKASORFFSA-N 380.426 -0.655 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508093132 UFSWXIFGJCZIRH-CHWSQXEVSA-N 383.474 -0.293 30 10 GBEE CN1CC(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 1520653766 UYPXMXHPEOMNTE-UHFFFAOYSA-N 377.470 -0.817 30 10 GBEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1595179027 VZZXKTUFZXZOND-LLVKDONJSA-N 381.466 -0.362 30 10 GBEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(C)(=O)=O 1618449597 PNPRNPGSVGEWEF-ZDUSSCGKSA-N 393.473 -0.048 30 10 GBEE Cc1ccc(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cc1S(=O)(=O)NCC#N 1632262622 ACSBFRXELDRZCD-BETUJISGSA-N 390.421 -0.516 30 10 GBEE C#CCN(CC(=O)NCCc1nnc2n1CCN(C)C2=O)C(=O)OC(C)(C)C 1644783143 CNFOYDQQOFXVML-UHFFFAOYSA-N 390.444 -0.107 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(O)nc3ccccc32)CC1 1650846301 QWKZTPZYPYRXAO-UHFFFAOYSA-N 377.426 -0.646 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1732165907 DBCVKBNGSQPHAF-HLUFSKSISA-N 376.457 -0.046 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1740301973 CZBPTDRUPGUXIF-RDBSUJKOSA-N 376.413 -0.210 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC)C(=O)C1 1740950928 NCRAQVVQIASBPK-UHFFFAOYSA-N 391.476 -0.223 30 10 GBEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cn1 1767464548 MYNCJKNYDDHFIZ-CYBMUJFWSA-N 394.461 -0.653 30 10 GBEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)CN3CCCS3(=O)=O)C1=O)CC2 1856550536 SLNFTPBVNIPUFB-KGLIPLIRSA-N 380.470 -0.225 30 10 GBEE CN1CCC(C#N)(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 2197490992 SLZKEYNQYJRKSE-ACJLOTCBSA-N 382.461 -0.177 30 10 GBEE C=CCN(CC=C)S(=O)(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2225626271 GOABSLAFZXYMNO-HZSPNIEDSA-N 391.490 -0.164 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)OC1(C)C 2281796717 XMQSVNGSFMVCHK-SUMWQHHRSA-N 383.275 -0.023 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2C[C@@H](C(N)=O)C[C@@H](N)C2)OC1(C)C 2282015017 UJGOMTXRNULVTL-VHSXEESVSA-N 380.279 -0.283 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](N)CC1(C)C 2282309034 ZIXNVNCZYSTVNE-SNVBAGLBSA-N 385.299 -0.385 30 10 GBEE CNC(=O)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331194 KPEFMDSUADRBMR-UHFFFAOYSA-N 386.283 -0.524 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2COCCO2)n1 2282497141 MCIOBXVZIDGESS-NSHDSACASA-N 387.267 -0.587 30 10 GBEE Cn1ncc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282559016 MRKISKJEHFCQCO-SNVBAGLBSA-N 384.267 -0.778 30 10 GBEE CC[C@@H](CN(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282842082 SEPPXOFIVAOVBV-NSHDSACASA-N 387.315 -0.267 30 10 GBEE C#C[C@@H](C)N1CCN(C(=O)[C@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CC1 2362091452 ZRUARWIOMIXQOV-QXSJWSMHSA-N 381.473 -0.117 30 10 GBEE CC1(C)OB(c2sncc2C(=O)NC2(C(N)=O)CCNCC2)OC1(C)C 2362567658 OHHXDICGQVXREB-UHFFFAOYSA-N 380.279 -0.220 30 10 GBEE CC/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCc2ncnn2C1 165102152 SMZQJGIQHSHSBV-CQSZACIVSA-N 383.522 -0.180 30 10 GBEE C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@H]2O 261492779 BTWFVPFIPDEZTE-XVDSCEKZSA-N 380.437 -0.306 30 10 GBEE C/N=C(/NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(CC(=O)NC2CC2)CC1 262821586 XEWNLXVTANPEJA-HNNXBMFYSA-N 388.520 -0.379 30 10 GBEE CCS(=O)(=O)N(C)C1CCN(/C(O)=N/[C@H]2COC[C@H]2n2ccnn2)CC1 329499760 VPWBEDTZPVOMLU-UONOGXRCSA-N 386.478 -0.122 30 10 GBEE N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)nc1 410644433 RUHIJNROFNPHDR-CVEARBPZSA-N 385.424 -0.524 30 10 GBEE C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 420049021 XZYBXIIDFPOOII-HIFRSBDPSA-N 386.456 -0.169 30 10 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N#CCN1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1544079133 PHWXHOGJYIJCIP-AWEZNQCLSA-N 386.861 -0.353 30 10 GBEE CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1555818191 RLZHTGSNKXCMFV-CHWSQXEVSA-N 384.462 -0.202 30 10 GBEE C[C@H]1C(=O)N(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1C 1585137159 FKDWXKQUTYPNHI-JTQLQIEISA-N 393.425 -0.181 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1595522996 LUIIQXBGJAIYOX-UHFFFAOYSA-N 393.473 -0.372 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)C1CC1 1629970096 CFTLDPSBCNVEJH-LLVKDONJSA-N 385.467 -0.082 30 10 GBEE N#Cc1cn(CCNC(=O)N[C@H]2CCCN3CCSC[C@H]23)c(=O)nc1O 1685273328 CRJJSDIACBEJLX-QWHCGFSZSA-N 378.458 -0.300 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1748639652 KJQFFGYADJFXKI-MQIPJXDCSA-N 382.490 -0.176 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748991105 QKTYZVKZLAUSND-AUUYWEPGSA-N 385.472 -0.537 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccn(C)n2)CC1 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10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1261409973 MCDHDEOKLDDAIH-KUHUBIRLSA-N 384.392 -0.782 30 10 GBEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN1C(=O)CCC1=O 1282759259 FEPSVFAPGNMVAD-TUVASFSCSA-N 375.425 -0.188 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(CC)S(C)(=O)=O 1286372343 QUHWJLFOBZSCTM-CYBMUJFWSA-N 382.490 -0.030 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 1291688613 IAPKLTAWEKURLV-FPCVCCKLSA-N 391.472 -0.226 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(OC)CCOC2)CC1 1300698440 SQDVHOXBZAADOF-BEFAXECRSA-N 388.472 -0.210 30 10 GBEE C#CC[C@H](CO)NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1313381833 MNPVQELNNQOJOQ-OLZOCXBDSA-N 380.445 -0.110 30 10 GBEE C#CCN(C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[C@@H]1CCS(=O)(=O)C1 1319796851 SMBLXGRSBFPYNT-OGHNNQOOSA-N 396.469 -0.461 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1326679192 GHVULKMNUZPFRT-ZFWWWQNUSA-N 391.428 -0.612 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc3n(n2)CCN(C)C3)n1 1329814530 CZPNRRFTRDFYGH-UHFFFAOYSA-N 399.455 -0.228 30 10 GBEE C#CCC1(O)CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 1331187529 CEWLZSTWIPLZAF-INIZCTEOSA-N 383.514 -0.832 30 10 GBEE C[C@]1(c2cccc(CNC(=O)C(=O)N3CC[C@](F)(C#N)C3)c2)NC(=O)NC1=O 1341431297 IBMJWOPPPRGXRF-MSOLQXFVSA-N 387.371 -0.178 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1 1347202245 ZCYYJCVRGFYIJY-UHFFFAOYSA-N 395.485 -0.353 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccnn2C)c1 1452185393 FEIBGUHJTBVVSB-HNNXBMFYSA-N 390.421 -0.024 30 10 GBEE CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1462885308 DYTRUFMZUXVDIU-UHFFFAOYSA-N 387.487 -0.704 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)COC)CC1 1508048727 NMXNMCMUAQLTGG-GFCCVEGCSA-N 386.478 -0.631 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508070862 FQNVPCGXSISJRE-GFCCVEGCSA-N 398.489 -0.658 30 10 GBEE C[C@H](CC(=O)N1CC[C@H](O)[C@@H](CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1570398346 BIUCFLOWVUUOOC-BZPMIXESSA-N 381.454 -0.295 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1595467154 QRPLLJHYRZERCM-KGLIPLIRSA-N 394.476 -0.041 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2ccc(F)cc2)c(=O)n1CCO 1644184281 ZXKLJHUSTUFSTH-UHFFFAOYSA-N 390.371 -0.483 30 10 GBEE COC(=O)/C=C1/SCC(=O)N1CCCN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1655683987 UDBFAOIPEBLOTC-ZJFSMLFFSA-N 399.494 -0.164 30 10 GBEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)CCS2(=O)=O 1685597470 GDDQTFMPJYKASM-FNIIMMMJSA-N 399.469 -0.055 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C)CC1 1690124554 NZXRDFJIFHVLPK-HOTGVXAUSA-N 394.545 -0.115 30 10 GBEE CCN(CCS(C)(=O)=O)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1695768754 VZRWDLQZBUEKAV-CCEZHUSRSA-N 396.473 -0.016 30 10 GBEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1722686244 VWGHYGHHWHVILL-GFCCVEGCSA-N 389.503 -0.552 30 10 GBEE 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30 10 GBEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(F)cc1C#N 435661087 CVFYTDDOBZISET-ZDUSSCGKSA-N 375.360 -0.511 30 10 GBEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CCO[C@]2(CCSC2)C1 565717419 YTHRKSQUJQRIII-QGZVFWFLSA-N 392.485 -0.011 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 591067558 QQWRDTNJFKWSJE-UHFFFAOYSA-N 380.470 -0.677 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 593560193 QSXUKAASCAZMRV-AWEZNQCLSA-N 397.453 -0.342 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 674194759 FFCVPDBKAAOQAB-UHFFFAOYSA-N 399.455 -0.338 30 10 GBEE C#CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 766821146 ZYZOHQKMPVAGAP-GFCCVEGCSA-N 387.458 -0.724 30 10 GBEE C#CCN(CC(=O)N1C[C@H]2CC[C@H]1[C@@H](O)C2)CC(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2 925065072 KPUQSDMZVJGCBQ-KOUJMVCDSA-N 389.496 -0.335 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@]4(CCCCN4)C3)CC2)c1C#N 926353341 SBYQLPZGLXEULS-HXUWFJFHSA-N 399.499 -0.007 30 10 GBEE 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C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)CS(C)(=O)=O)c1 1664570305 GXEXZYLKJAFOQH-GFCCVEGCSA-N 376.456 -0.714 30 10 GBEE C#CCN1CCC(C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1739062525 HIPWHIKSGUCKJE-MLHJIOFPSA-N 377.485 -0.165 30 10 GBEE CN1CC[C@](O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1769063852 RYQACYWQKJTYBY-IIDMSEBBSA-N 376.461 -0.033 30 10 GBEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCS(N)(=O)=O 2282059351 HYVUTQRUSBKQLV-UHFFFAOYSA-N 386.283 -0.389 30 10 GBEE CN(CCOC1CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282307987 LDWCHXBNJGWYCI-UHFFFAOYSA-N 386.283 -0.086 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC(CCN)CCN)n1 2282498815 JVIHXXZYBJCZFC-UHFFFAOYSA-N 387.315 -0.936 30 10 GBEE CC1(C)OB(c2ccc(CS(=O)(=O)N3C[C@H](O)[C@H](O)C3)cc2)OC1(C)C 2282504760 UAJFOYBYMLHYMJ-GASCZTMLSA-N 383.275 -0.147 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](CCO)C(F)F 2282862112 YSMHYSZMCRBCIG-QMMMGPOBSA-N 396.225 -0.591 30 10 GBEE CC(C)[C@H](O)CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282862968 LAVFGTITLUMSTF-LLVKDONJSA-N 388.299 -0.248 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)O)OC1(C)C 2284385377 QWSXGRIBZRVLSL-GUBZILKMSA-N 384.219 -0.927 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NC[C@H](O)C(=O)O)OC1(C)C 2284398976 DSWAEHJJKWLZNE-NSHDSACASA-N 389.210 -0.151 30 10 GBEE C[C@@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284409316 HPNQLNNYFUSWJJ-RKDXNWHRSA-N 386.239 -0.650 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@@H](O)[C@@H]3C(=O)O)ns2)OC1(C)C 2284452945 DVOITLLKBVXRNE-JMJZKYOTSA-N 384.219 -0.927 30 10 GBEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 288082790 HZCUGRAFPQHIEA-UHFFFAOYSA-N 394.453 -0.191 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)NC)CC2)c1 368831725 XXPGLKKGRUOODW-UHFFFAOYSA-N 392.481 -0.508 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCC[C@H]2O)CC1 459883818 JGQPQNJOYPYUCJ-JKSUJKDBSA-N 380.489 -0.558 30 10 GBEE C#CCn1nc(CNC(=O)CCn2ccc(O)nc2=O)c2ccccc2c1=O 585170539 JZDGJJAVKLGHHT-UHFFFAOYSA-N 379.376 -0.002 30 10 GBEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCC(C(N)=O)CC1 585673387 CWANWRKMZLETDH-UANWDYSFSA-N 399.407 -0.216 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1CCS(=O)(=O)c1cccc(C#N)c1 599664754 GQZBBWZNIVVGFD-CQSZACIVSA-N 387.483 -0.418 30 10 GBEE CN1CCOC[C@@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 600761530 RCNPHWCFDSKEPM-LBPRGKRZSA-N 388.471 -0.903 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](CO)C2)c1 848953331 CLNMAWPLIVFTKK-AWEZNQCLSA-N 397.478 -0.163 30 10 GBEE C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 850712649 OEBVJMCNOHUHGC-UHFFFAOYSA-N 375.429 -0.368 30 10 GBEE C#CCN(CC(=O)N(C)Cc1cnn(C)c1)CC(=O)N(C)Cc1cnn(C)c1 873987212 NTRGQCBRWUEQDF-UHFFFAOYSA-N 385.472 -0.294 30 10 GBEE COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1118890663 HLPLXXOJNOKQRP-DNVCBOLYSA-N 389.408 -0.159 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)cc1 1171154354 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-0.607 30 10 GBEE N#CCCN1CC[C@H](N2CCN(C(=O)CCCn3ncccc3=O)C(=O)C2)C1 1855028321 VWHJETNVUSJDKO-INIZCTEOSA-N 386.456 -0.318 30 10 GBEE Cn1nc(C(=O)N2C[C@H](O)C[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282051958 XOFRUEYJVLRHJR-VHSXEESVSA-N 385.657 -0.060 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCN1 2282319914 ATSJPSQDSUBYSB-NSHDSACASA-N 385.299 -0.513 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@H]2CCNC2)n1 2282489499 DUGAUUJBLCYUJV-GFCCVEGCSA-N 384.311 -0.003 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(C(N)=O)CC2)n1 2282838820 VAKNHXAWVLZPKT-UHFFFAOYSA-N 384.267 -0.737 30 10 GBEE CN(C(C)(C)C(=O)O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284403130 NVWFNDDLRLRECV-UHFFFAOYSA-N 388.255 -0.402 30 10 GBEE CO[C@@H]1[C@@H](O)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2286748398 LUZNWMVIQFEDPO-RDBSUJKOSA-N 384.263 -0.193 30 10 GBEE Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 273547943 UTLVXXNOQFLRDQ-UHFFFAOYSA-N 399.451 -0.192 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCCS(=O)(=O)N1CCCO1 349607643 MFKFSSLYUDBADL-CYBMUJFWSA-N 381.476 -0.322 30 10 GBEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOCC4)C3)C2)nc1 460008865 FRBHUYDGIZUMLW-IAGOWNOFSA-N 399.451 -0.134 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)c1 565230179 XUEGLAYJRGWIHW-WDEREUQCSA-N 386.455 -0.614 30 10 GBEE Cc1cc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)n(C)n1 588127801 QZGQQKYGVGHTPM-INIZCTEOSA-N 387.488 -0.082 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(F)(F)C[C@@H]1CO 594636206 FXGSILBJQHIPBV-WDEREUQCSA-N 389.446 -0.418 30 10 GBEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 609128593 KDOJGWKEKCIOJD-INIZCTEOSA-N 384.440 -0.271 30 10 GBEE C#CCNC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 760982060 HSJJZSSLCYZLFC-ZDUSSCGKSA-N 383.426 -0.015 30 10 GBEE C=CCCOC(=O)[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 835837505 LHFMLSZIACSQOK-NSHDSACASA-N 378.385 -0.125 30 10 GBEE CN(C)C(=O)CN1CCN(C(=O)COC(=O)CC2(C#N)CCOCC2)CC1 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SGZYWQBJBZMIHL-APIJFGDWSA-N 393.444 -0.735 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnnn2C)CC1 1539429917 FBYHEPOPMKULTH-HNNXBMFYSA-N 388.476 -0.066 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 1558073303 PXIDOCLVRXCOPY-UHFFFAOYSA-N 396.425 -0.242 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)s1 1566376090 FTLZLZJPXNTJPK-CMPLNLGQSA-N 387.483 -0.096 30 10 GBEE N#C[C@@]12CN(C(=O)CCOc3cccc(C(N)=O)c3)C[C@H]1CS(=O)(=O)C2 1652521292 NMZZKUYYQCFFLM-GUYCJALGSA-N 377.422 -0.049 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 1683482074 ZSRMVIGBIWZWPF-KBXIAJHMSA-N 381.473 -0.182 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1705932150 NBQRKOXXWZBHJV-LBPRGKRZSA-N 395.489 -0.021 30 10 GBEE CC(C)NC(=O)CNS(=O)(=O)CCC(=O)ON1C(=O)c2ccccc2C1=O 1772785051 ORBJYJRIGIOVDZ-UHFFFAOYSA-N 397.409 -0.425 30 10 GBEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)C1=O 1855227407 ZFRARKJFJYJWHE-LSDHHAIUSA-N 383.470 -0.219 30 10 GBEE C#CCCNC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1892108023 CAQCQUYHCXHAPN-UHFFFAOYSA-N 393.465 -0.081 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)OC1(C)C 2281930152 ILMCHHPXAXUQSQ-SNVBAGLBSA-N 384.267 -0.527 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](O)C(N)=O)cc2F)OC1(C)C 2282321204 UJTGYQHQEWUNFB-GFCCVEGCSA-N 388.226 -0.751 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1[C@H]2CN[C@H]1C2 2282333384 NSUCZGHZSWAIEY-UTUOFQBUSA-N 382.295 -0.395 30 10 GBEE CON(C)CCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282337652 MMJWRKMYQAPCEV-UHFFFAOYSA-N 388.299 -0.119 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CNC[C@@H](F)C2)n1 2282501982 DZZXTEGBLWCFRN-WDEREUQCSA-N 388.274 -0.302 30 10 GBEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2283070934 ZKMQMCDRJNHVPE-JTQLQIEISA-N 381.263 -0.061 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H](C(=O)O)O2)n1 2284400118 RUUZGHHXVWWADN-SNVBAGLBSA-N 387.223 -0.502 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@H](CS(C)(=O)=O)C(=O)O)o2)OC1(C)C 2360572406 SCRWWPCISKPVPA-SECBINFHSA-N 387.219 -0.194 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CCC(O)(C(N)=O)CC2)OC1(C)C 2362568547 WPPYOPPLPXVVSP-UHFFFAOYSA-N 381.263 -0.105 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 349514744 ATNMAZLPIWWUAN-AWEZNQCLSA-N 395.503 -0.627 30 10 GBEE Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(C4CC4)[C@H](C#N)C3)cnc21 371622851 ZDBHDPSOVHQJNW-LLVKDONJSA-N 390.425 -0.605 30 10 GBEE C[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)n1cnc(C#N)n1 409914549 YQYXJTACTULFEE-STQMWFEESA-N 382.446 -0.636 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)C1=O 598526344 WQOURKCOIWODEN-UHFFFAOYSA-N 395.412 -0.030 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 671394530 NGRHPYNWWAQQKG-UHFFFAOYSA-N 399.495 -0.435 30 10 GBEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn3c2CCC3)c1=O 853467338 JYNBAVOFTDAWFA-UHFFFAOYSA-N 381.461 -0.285 30 10 GBEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3c2CCC3)c1=O 853467908 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389.477 -0.534 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1358886897 MHWBZCWNPCXTDI-STQMWFEESA-N 380.474 -0.277 30 10 GBEE N#CC1(C[C@H](O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 1473267356 SWNKRVFAWGSMDD-KBPBESRZSA-N 391.515 -0.824 30 10 GBEE CO[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1OC 1555789320 UCDPWHKUWCACSO-OEYYDGDVSA-N 376.417 -0.037 30 10 GBEE C[C@@H](CC(=O)N(C)CCN(C)CCO)/N=C1/NS(=O)(=O)c2ccccc21 1557693603 BIPYWKLMLMQZMZ-ZDUSSCGKSA-N 382.486 -0.114 30 10 GBEE CNC(=O)COc1cccc(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1616348008 UTCOGTQVJVOGON-HNENSFHCSA-N 386.408 -0.004 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1632485675 YGTLOCPSOQTZFM-CYBMUJFWSA-N 385.417 -0.484 30 10 GBEE C#CCN1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1638678209 CXNLUYGJKWHNIZ-KRWDZBQOSA-N 388.443 -0.058 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H]4CCCN4C[C@@H]3CO)CC2)o1 1654715048 IZJAYKSTMMWABF-JKSUJKDBSA-N 388.472 -0.356 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@H]21 1682306878 RNWBWMZKWFFTPG-YJNKXOJESA-N 385.486 -0.472 30 10 GBEE CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC(C)(C)C 1740370307 BIRJSVPHPPEXMT-KFWWJZLASA-N 376.457 -0.464 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CCOC)[C@H]2CS(=O)(=O)C[C@H]21 1757698796 SGLJAOLNYDRIMM-BARDWOONSA-N 386.470 -0.550 30 10 GBEE C=C1CCCN([C@H]2CCN(C(=O)[C@H]3CS(=O)(=O)CN3C(C)=O)C2=O)CC1 1854638371 NJNDZLZLRWNZIW-LSDHHAIUSA-N 383.470 -0.241 30 10 GBEE COC[C@H](O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267706868 HFIWWKGDYVFXNY-SNVBAGLBSA-N 375.256 -0.995 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@]1(=O)CC[C@H](CN)C1 2282174188 OWFKHBICQOMDAH-SKVICXGVSA-N 383.283 -0.299 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CN2CC[C@H]1C2 2282351911 HMTDZOXBPLUKPT-AAEUAGOBSA-N 382.295 -0.298 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H]3C[C@@]3(O)C2)n1 2282410492 XCEJYEYLRFQPBR-MEDUHNTESA-N 383.279 -0.135 30 10 GBEE C[C@@H](C1CNC1)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282842901 FIIAGTIJQJUQST-NSHDSACASA-N 384.311 -0.052 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)O)OC1(C)C 2284468777 GFIVNBYEVSAOSS-DCAQKATOSA-N 383.231 -0.322 30 10 GBEE CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2286748396 LUZNWMVIQFEDPO-MCIONIFRSA-N 384.263 -0.193 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@@]2(CN)C1 2288260304 IJYXIVYEAVXYTL-BDJLRTHQSA-N 382.295 -0.311 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC(=O)N1C 459867464 NYIHFXKHIBCXRP-HNNXBMFYSA-N 383.452 -0.108 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 465960781 WJGTXUIVLGJAOC-INIZCTEOSA-N 394.520 -0.797 30 10 GBEE CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588869900 WABHAXIBLDYNAM-IRXDYDNUSA-N 383.452 -0.014 30 10 GBEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(OC)nc3)C2=O)CC1 591691691 RCQYICTUGIMSKC-HNNXBMFYSA-N 387.440 -0.358 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCO[C@H]3CC3(F)F)CC2)c1C#N 595169794 MNXJDWVFDXHBJA-ZDUSSCGKSA-N 396.398 -0.211 30 10 GBEE CN(C(=O)C(=O)N1CCN(CCC#N)CC1)C1CCN(c2cnccn2)CC1 601470310 GBTABSQKSNISAQ-UHFFFAOYSA-N 385.472 -0.038 30 10 GBEE CC(=O)N1CSC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CSCN1C(C)=O 773798693 VUXKRNFLYGKUFF-KBPBESRZSA-N 398.510 -0.935 30 10 GBEE N#CCC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 816291215 MAZOJQJOUVIBAY-UHFFFAOYSA-N 389.437 -0.300 30 10 GBEE C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1CCCO1 909761601 IDRCZUXWXFTRJV-GJZGRUSLSA-N 386.456 -0.440 30 10 GBEE C[C@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CN1CCN(C)CC1 920460962 LWPPZZRFXDXKJY-BFYDXBDKSA-N 383.518 -0.550 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CC)CC1 1286473335 ZWQSGVHXFUALKF-WMLDXEAASA-N 398.533 -0.196 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1327034122 SIBLQNKMGCKZBG-LSDHHAIUSA-N 394.453 -0.800 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)CCN1Cc1ccccc1 1327394104 WKTXEILRHVSJBI-JBKNHKASSA-N 386.477 -0.045 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1328050659 ILWPDSXYNYXRJC-INIZCTEOSA-N 376.434 -0.018 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 1335583743 ISFFYKUNPFKTTR-RXVVDRJESA-N 385.464 -0.058 30 10 GBEE C=CCn1c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1339196362 LMXKKLIDLNJOQP-UMPJEAMMSA-N 381.502 -0.144 30 10 GBEE C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H]1CN(C)CCO1 1342592713 SSSRWBBFZWFAIM-IUODEOHRSA-N 383.412 -0.087 30 10 GBEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC 1359240374 MRWLDMTXVWWHCL-LLVKDONJSA-N 377.492 -0.648 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359291619 XQXMNPRMZFNORA-LBPRGKRZSA-N 398.489 -0.658 30 10 GBEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1464115340 HGEHDGIQQQHYHO-OLZOCXBDSA-N 392.478 -0.337 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508086526 MCDKWVPLKKDKOS-NWDGAFQWSA-N 375.433 -0.802 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(S(N)(=O)=O)C2)s1 1570262448 JBIOPQYUANDNIE-UHFFFAOYSA-N 379.485 -0.746 30 10 GBEE N#CCCN1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 1623119961 CWIKKTJWXDRHKZ-UHFFFAOYSA-N 375.433 -0.195 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 1705890657 AYOKIWIUVJAXBO-STQMWFEESA-N 398.489 -0.501 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1722353701 ZFNUDBGPUKOADV-ZDUSSCGKSA-N 383.474 -0.405 30 10 GBEE CON(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1750159199 PUQFJCOQQHURRU-OWBHPGMISA-N 377.405 -0.060 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771537663 SHMIKWYKEDZECL-DGAVXFQQSA-N 376.417 -0.502 30 10 GBEE C=C(CNS(=O)(=O)N1CCS(=O)(=O)CC1)B1OC(C)(C)C(C)(C)O1 2077060517 BOIIAPZLLFDLFF-UHFFFAOYSA-N 380.297 -0.261 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)N[C@@H](CS)C(=O)O)O[C@@H]2C1 2253897838 LEVFZYWSENRMKJ-MMWGEVLESA-N 376.431 -0.111 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)n1 2282032127 BVVUSGPWTOLNNI-WDEREUQCSA-N 381.263 -0.269 30 10 GBEE C#CCNC(=O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282491622 OHPSQJSXWQKNHQ-UHFFFAOYSA-N 399.303 -0.389 30 10 GBEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCS(N)(=O)=O 2282601003 XLNBLPBYROBLRG-UHFFFAOYSA-N 386.283 -0.564 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C[C@H](CO)[C@H](O)[C@@H]3O)ns2)OC1(C)C 2282602404 RKAPKFZRBGMLNC-MNUQUWEESA-N 384.263 -0.725 30 10 GBEE Cc1cc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282691188 GGGCQTDEGZJVLQ-DNIRFERGSA-N 383.275 -0.059 30 10 GBEE C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282834141 PWDXLPMYZVZNQR-GHMZBOCLSA-N 386.283 -0.352 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCO[C@@H](CN)C1 2282852334 NVSDFVFPPOVXTP-NSHDSACASA-N 386.283 -0.933 30 10 GBEE 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CNC(=O)NCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351867 HAKSPTCGNXJKGX-UHFFFAOYSA-N 384.267 -0.412 30 10 GBEE COCC[S@@](=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282485096 OLLVUYSQJRVVKG-SANMLTNESA-N 385.295 -0.156 30 10 GBEE CO[C@](C)(CO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854121 NNAOGBCDJQAQSM-HNNXBMFYSA-N 389.283 -0.605 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC=C[C@@H]2C(=O)O)n1 2284415324 NHZADADHPJFSTN-LLVKDONJSA-N 383.235 -0.267 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NCc2noc(C(N)=O)n2)OC1(C)C 2285748665 BKFKSDVGGMKMCC-UHFFFAOYSA-N 379.207 -0.146 30 10 GBEE C[C@@H](C#CC(=O)O)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2366844335 CWGSCGJBIRSYMT-JTQLQIEISA-N 383.235 -0.526 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccnn3)CC2)cc1 289710313 HPWXMQZTLUFHGZ-UHFFFAOYSA-N 386.437 -0.025 30 10 GBEE CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@]2(C#N)CCOC2)C1 349499539 DJZXFDLZALXKHL-KGLIPLIRSA-N 395.503 -0.629 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc(C)c(C)s2)CC1 507558069 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COCCCN1CCC(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1119069823 CQEADELBNWGISX-KRWDZBQOSA-N 377.489 -0.198 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(C3CCCC3)nc2N)CC1 1152972904 FETYTXAPHWEQRF-UHFFFAOYSA-N 392.485 -0.058 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCNC(=O)c2ccco2)C1 1281938121 ZQALMHAOECZJKE-KBXIAJHMSA-N 391.424 -0.322 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2nn[nH]n2)s1 1302137208 KHEMJBJJOLYZBK-NSHDSACASA-N 398.470 -0.132 30 10 GBEE C#CCN(C(=O)NCc1cccc(OCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1320594109 QUZSWUKUWSUUAL-AWEZNQCLSA-N 379.438 -0.117 30 10 GBEE CCCN1CCC(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1321599789 BTDNIJSJJURXII-FOCLMDBBSA-N 377.445 -0.380 30 10 GBEE N#CC1CCC(CNC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1323060325 AELMHVFTXQKCLG-ABHNRTSZSA-N 391.516 -0.045 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CNc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1326560444 JQABYXFZWUHEHI-HUUCEWRRSA-N 375.450 -0.212 30 10 GBEE C=C(C)Cn1c([C@@H](C)CO)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 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C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O 1587556641 QOKYUGWUBVBGIG-GFCCVEGCSA-N 391.457 -0.068 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 1643372242 CBWWECUJVCSILL-UHFFFAOYSA-N 382.398 -0.171 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCSC2)CC1 1690122585 WGRYOBFIGJJPMH-KBXCAEBGSA-N 390.513 -0.148 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1748959942 BFNHKJOABZRJCO-KBXCAEBGSA-N 376.461 -0.618 30 10 GBEE Cc1nc([C@H](C#N)C(=O)CN2CCN(CCO)CC2)sc1C(=O)N(C)C 1872797897 YGOCXIAQHICSCU-CYBMUJFWSA-N 379.486 -0.061 30 10 GBEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N(CCO)CCO)ncnc21 1873595117 PDHJWLUQPXDAIT-UHFFFAOYSA-N 390.444 -0.726 30 10 GBEE C#CCN1CC[C@@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2139348731 OLEZJCSJFXFNKV-KGLIPLIRSA-N 385.486 -0.156 30 10 GBEE C=CCNC(=O)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249429763 WWJOIYOCDKJWBX-ZDUSSCGKSA-N 399.425 -0.412 30 10 GBEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(CC(N)=O)CC(N)=O 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384.444 -0.337 30 10 GBEE CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1769755775 DNFIKYHWDRLXJF-GUYCJALGSA-N 378.433 -0.049 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)CCO1 1770748796 RQHYCTZPVDPYOD-UONOGXRCSA-N 399.411 -0.133 30 10 GBEE CN(C[C@@H]1CC(=O)N(C(=O)C2CC(=O)C2)C1)C1CN(c2nccnc2C#N)C1 1856241268 DLPJFOHQGYRSOX-LBPRGKRZSA-N 382.424 -0.177 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNS(=O)(=O)CC1(C#N)CC1 2218611230 YBCUZUJCSLGYAW-SDDRHHMPSA-N 375.447 -0.449 30 10 GBEE CN(C)[C@H]1CC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282289851 JDIFKQLZEXERBJ-QWRGUYRKSA-N 385.299 -0.515 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CCNC[C@@H]1C2 2282322750 QICMRIBALPFDOH-BONVTDFDSA-N 383.283 -0.855 30 10 GBEE CCOC(=O)[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282346399 VKDXHXCWKMISNT-SNVBAGLBSA-N 387.267 -0.051 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@@H]2CN)n1 2282414438 SOPULWCQEZCOJP-LOWVWBTDSA-N 382.295 -0.313 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCn1ccnn1 2282849585 DHSPOBQQAQCUAG-UHFFFAOYSA-N 382.255 -0.711 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2319390509 JBGDWXDYRPJPJK-RYUDHWBXSA-N 394.515 -0.168 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)O)OC1(C)C 2362570620 BAMCUKQXXVTZAK-GUBZILKMSA-N 384.219 -0.927 30 10 GBEE CN(C)S(=O)(=O)[C@@H]1CN(/C(O)=N/Cc2cnnn2C)C[C@H]1C(F)(F)F 329701122 HDCOKIGPHLHQIP-NXEZZACHSA-N 384.384 -0.017 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)CC1 333170576 JISZIJAZBHFWRV-HOTGVXAUSA-N 398.533 -0.112 30 10 GBEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@](O)(C(F)F)C1 349452789 ODOLLSIEMWFOTC-CYBMUJFWSA-N 395.409 -0.121 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2csnc2C(=O)OC)CC1 447200321 OKIFJLCISJRSAG-UHFFFAOYSA-N 388.471 -0.462 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)CC1 559901781 FGJXHNFYJSSEOZ-HNNXBMFYSA-N 377.489 -0.967 30 10 GBEE COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 570053358 IOJVLRFAORFOCK-IRXDYDNUSA-N 391.447 -0.033 30 10 GBEE CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@@H](O)CC1(C#N)CCOCC1 599366047 JNOYZFSUIVYQNJ-LSDHHAIUSA-N 383.445 -0.562 30 10 GBEE C[C@@H](O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731826468 DLTVXXPFODKLPA-CYBMUJFWSA-N 380.470 -0.360 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)C1=O 819612109 NFPGVKZIANRBAX-FRRDWIJNSA-N 392.412 -0.054 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 855823631 HYOUMIYNEVFMDB-CYBMUJFWSA-N 399.494 -0.296 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 862869265 YXNSYYXJYFYWER-PWSUYJOCSA-N 381.410 -0.486 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCS(=O)(=O)C1 1116704688 ZHJRIXKCIIDHBQ-AWEZNQCLSA-N 387.421 -0.145 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 1117873433 KCTDQRQZZLPRAP-CABCVRRESA-N 399.455 -0.035 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)C1=O 1135205090 LOJTZVRAGDRHEK-SFHVURJKSA-N 388.380 -0.047 30 10 GBEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1159331876 WQTXUXCXWWUACV-AWEZNQCLSA-N 383.426 -0.448 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCc3c(cccc3C(N)=O)C2)CC1 1261629494 IFKFHSKSVBPXFA-UHFFFAOYSA-N 398.419 -0.024 30 10 GBEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1301017236 HXZZZZMBVMAIOL-JTQLQIEISA-N 376.870 -0.081 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)CC1 1301475483 SQKCEVWBNAOXCK-UHFFFAOYSA-N 389.460 -0.482 30 10 GBEE CCN1CCC(CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1324519217 DSVYOTZVPAPLCT-MSUUIHNZSA-N 391.472 -0.133 30 10 GBEE C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 1324964206 BXPBPSQSZACRAW-UHFFFAOYSA-N 398.416 -0.278 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)CC1 1338008482 YTCXCYZDXRPJDQ-MRXNPFEDSA-N 392.500 -0.578 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCN2C)C1 1348638442 GTBKNERLQHCNPE-BFYDXBDKSA-N 397.483 -0.062 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)oc3ncnc(O)c23)CC1 1471450540 DNESWZJEIRPTIU-UHFFFAOYSA-N 379.398 -0.538 30 10 GBEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507631383 CZTWDCUXCAUNGX-ZIAGYGMSSA-N 395.485 -0.108 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC2)CCO1 1521128960 HZHCVNQJEWUWOP-HZSPNIEDSA-N 381.458 -0.055 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1539273435 RUWNCUCJVJTAMN-OAHLLOKOSA-N 389.481 -0.092 30 10 GBEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCn2cnnn2)C1 1555987115 YANYLKWYVYXUET-MRXNPFEDSA-N 388.411 -0.081 30 10 GBEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1597692272 RNKVOZRCVWCJDH-VXGBXAGGSA-N 377.401 -0.790 30 10 GBEE CN(Cc1nc(=O)o[nH]1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1627573128 QWKNVILOVKOVQE-UHFFFAOYSA-N 379.398 -0.160 30 10 GBEE CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1653068556 CMJJGRSUPJANBT-XJKSGUPXSA-N 397.478 -0.005 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(OC)ncnc2N(C)C)CC1 1669928904 SRSPRRDINGIUKA-UHFFFAOYSA-N 397.461 -0.832 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)n1 1676217334 BKQOWEODOUZYRR-QGZVFWFLSA-N 398.485 -0.122 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 1682523852 VFFUZJRNMUTKLY-HWMZRRJGSA-N 377.445 -0.583 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]2C1 1692262400 WHFMTMJEKUMOAM-QZNHQWIBSA-N 376.457 -0.185 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC=C 1722351355 IGRWSTONSYNGET-ZDUSSCGKSA-N 386.499 -0.150 30 10 GBEE CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1729742227 DBLLKBVDCNERLF-NSHDSACASA-N 378.418 -0.987 30 10 GBEE C#CCO[C@@H](C)C(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1740237288 OHOFGBDUEHDPTO-LTUQZUHASA-N 399.451 -0.261 30 10 GBEE C#CCN(CC(=O)O)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2123668593 FHFQVHOIYCURGX-GFCCVEGCSA-N 388.442 -0.043 30 10 GBEE C#C[C@@]1(O)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2249459608 GAVSFFYBNKNACD-WMLDXEAASA-N 396.421 -0.234 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N=c1cncc(F)[nH]1 2282316659 GKLKMGUAPZJZMR-UHFFFAOYSA-N 384.202 -0.734 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](F)C[C@H]1CN 2282350963 UYFYMNPLWVMPQU-MNOVXSKESA-N 388.274 -0.221 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2C[C@H](N)C[C@@H](C(N)=O)C2)OC1(C)C 2282519764 MYZFBOSUMQGOJF-NXEZZACHSA-N 380.279 -0.283 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1[C@@H]2CNC[C@@H]12 2282851288 ZYFPRBDSKYJTKX-GHMZBOCLSA-N 382.295 -0.537 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1CN2 2282851474 CJAHNGUEPFUHTJ-QJPTWQEYSA-N 382.295 -0.252 30 10 GBEE CC[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284403880 VHRJTWDLQYADIM-VIFPVBQESA-N 388.255 -0.497 30 10 GBEE N#CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(CO)C1 349483118 VFEOOVDATRUIMZ-UHFFFAOYSA-N 385.467 -0.024 30 10 GBEE COCCN(C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCOC1 410860170 IMAGHWZARNFRNU-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE C#CCN(CC(=O)N1CC[C@@H](CN(C)C)C1)CC(=O)N1CC[C@H](CN(C)C)C1 819986663 DWOYYUDXPPKFSE-KDURUIRLSA-N 391.560 -0.258 30 10 GBEE CCN1CCN(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)C1=O 916778177 QYOQTVSZJOUUTM-UHFFFAOYSA-N 378.410 -0.805 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 1117928595 RIHZRPAHYJOGCT-LBPRGKRZSA-N 375.347 -0.236 30 10 GBEE C#CCN(c1nnc(Cc2nccn2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1263268899 COCJIRCQXHFAII-CQSZACIVSA-N 392.485 -0.125 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O 1326309942 SHNIPGXVXUPCFY-DOTOQJQBSA-N 385.420 -0.227 30 10 GBEE CC(C)(C)[C@@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 1331629983 TYRVHMPJTOTYHW-ZDUSSCGKSA-N 389.412 -0.523 30 10 GBEE CCN1CC[C@H](N(CC)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1350750614 HCXSLZJXJPDTTG-ZGTROFRASA-N 377.445 -0.428 30 10 GBEE CCn1ncc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 1351422793 UPTMRHXKVMQTFC-GFCCVEGCSA-N 383.416 -0.687 30 10 GBEE COC(=O)CCN(CC#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1532461132 MYEUWARARADDDF-UHFFFAOYSA-N 382.417 -0.019 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1540858278 PMLAJGOIUFDIDW-QWHCGFSZSA-N 382.446 -0.474 30 10 GBEE N#Cc1cn(CCC(=O)N2CC3(CCOCC3)CC[C@@H]2CO)c(=O)nc1O 1645092556 VTADWWUVLWMHPP-CQSZACIVSA-N 376.413 -0.009 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)OC3)CC1 1672085045 LNAPLHFHAGDVFG-UHFFFAOYSA-N 378.410 -0.026 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc2ncccn2n1 1686238727 ZCWSMNUOSPRJDF-UPJWGTAASA-N 381.396 -0.875 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2[nH]ncc2c1 1736489955 HBKSIUIYOODNMO-ILXRZTDVSA-N 380.408 -0.041 30 10 GBEE CC1(C)OB(c2cccnc2N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)OC1(C)C 2241103760 DUPBLFKRKVPDHH-ZIAGYGMSSA-N 379.291 -0.044 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC([S@](C)=O)C2)n1 2267706438 YQLODLXBXPSONX-DEOSSOPVSA-N 389.308 -0.529 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCCNS(N)(=O)=O 2282147244 LCTQIBBEQVAMFU-UHFFFAOYSA-N 383.279 -0.183 30 10 GBEE CN1C[C@@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1=O 2282297445 FMOLPCJLXZVXBK-LBPRGKRZSA-N 381.263 -0.110 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(CCN)CCN 2282332676 FILFTYHHHPEMIP-UHFFFAOYSA-N 387.315 -0.936 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC3CC2(CN)C3)n1 2282503479 ARMOYFOHGIRLSO-UHFFFAOYSA-N 382.295 -0.169 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 2282511134 KBUNOWIEZQNOLW-KGLIPLIRSA-N 382.291 -0.095 30 10 GBEE Cn1nnc(CNC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)n1 2282543414 KSROFWDSHLTJIW-UHFFFAOYSA-N 381.633 -0.174 30 10 GBEE Cn1nc(C(=O)NCCn2cnnn2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282552894 NMSJKYJUKZGKIR-UHFFFAOYSA-N 381.633 -0.211 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H]2CNC[C@H]2O)OC1(C)C 2282835746 AVIPNYMFCLHAGV-LSDHHAIUSA-N 382.291 -0.262 30 10 GBEE C[C@@H](O)CN(CCO)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867974 GVWQUIGRSBXGSQ-LLVKDONJSA-N 389.283 -0.917 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2C[C@H](O)[C@@H](O)[C@H]2C(=O)O)OC1(C)C 2284385833 WXLATQNLEBOVEQ-GARJFASQSA-N 383.231 -0.322 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)OC1(C)C 2362568970 KTXOMHHQGDOJFO-UWVGGRQHSA-N 377.231 -0.213 30 10 GBEE COC[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 410799227 DLGCZSIVFJZNBC-GOEBONIOSA-N 387.440 -0.136 30 10 GBEE N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C2)nc1 594546743 WWIDRIKEJZYAEH-XHSDSOJGSA-N 385.424 -0.790 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1 848953395 GPUNVYXJAZKMHF-AWEZNQCLSA-N 397.478 -0.021 30 10 GBEE C#CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 848955653 GTCDRIVFAGGGAZ-HNNXBMFYSA-N 383.451 -0.099 30 10 GBEE 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@H](OC)C1 1342973124 JNRPKSWBKFLQJR-YJNKXOJESA-N 379.457 -0.164 30 10 GBEE N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@]3(CCS(=O)(=O)C3)C2)nc1 1345780721 HXQSEIKOXMQBRK-HNNXBMFYSA-N 385.467 -0.384 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCN(CC(F)F)CC1 1346278166 UCRDOIDHPXMKGN-BUHFOSPRSA-N 385.371 -0.962 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 1346362342 NHOLTTNFVDQOAY-CABCVRRESA-N 379.438 -0.257 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCn2c(CC3CC3)nnc2C1 1346385821 BJYMWNLSDFRJFZ-UHFFFAOYSA-N 381.458 -0.710 30 10 GBEE C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(C)C[C@H](O)CN1C 1352063655 STFZMLYLLZYTSV-KBXCAEBGSA-N 378.477 -0.329 30 10 GBEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1722342081 RLZLAIOUVDJYAB-UHFFFAOYSA-N 395.485 -0.477 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC1CC1 1748639259 DUSCGEDPNJPOLF-NWDGAFQWSA-N 382.490 -0.128 30 10 GBEE 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GEEJDZPAGQKERB-XEGUGMAKSA-N 396.450 -0.887 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-n3ccnn3)ccc2F)CC1 1175515103 RRMIAJJYRHTSHB-UHFFFAOYSA-N 392.416 -0.368 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCO[C@]2(CCSC2)C1 1261467281 FEXGZGHCIJPCTC-TUQDCPSNSA-N 394.453 -0.637 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1282686705 VUVIJJKOZOAKOG-OVSNFEJUSA-N 378.429 -0.497 30 10 GBEE C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]nc1S(N)(=O)=O 1291846703 MXGYBYTYGFSAHP-WXHSDQCUSA-N 379.442 -0.278 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)OC 1300538656 UAYNGXDQHDPWOX-GJZGRUSLSA-N 395.485 -0.281 30 10 GBEE N#C[C@@]12CN(CC(=O)NC[C@H]3Cc4ccccc4O3)C[C@H]1CS(=O)(=O)C2 1308101098 WLCXUHOKHWQMFO-DAYGRLMNSA-N 375.450 -0.024 30 10 GBEE Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1321943725 GCBWQQNSUNTVNN-SUQMRRJOSA-N 388.428 -0.414 30 10 GBEE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCO1 1327392649 FFCGZVFHWIODMK-CXAGYDPISA-N 390.415 -0.046 30 10 GBEE CN(CCc1cccc(C#N)c1)C(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1329467445 GAFDEFRCNPLOPL-GOSISDBHSA-N 388.468 -0.289 30 10 GBEE C=C1[C@@H](C(=O)NCCN2CCOC[C@H]2C)[C@H]1C(=O)NCCN1CCOC[C@@H]1C 1333993390 DRADLAPLNWIIDH-LVYXFOGZSA-N 394.516 -0.538 30 10 GBEE C#CCN(c1nnc(-c2ccnn2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1343344657 MRSMCCDYFSVGKO-CYBMUJFWSA-N 378.458 -0.048 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1348436325 TYUXDNLXFRKREX-ZDUSSCGKSA-N 395.437 -0.968 30 10 GBEE C=CCCC1(CNC(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CCCC1 1353085271 GIMDMCMZFOXHTB-CQSZACIVSA-N 384.502 -0.010 30 10 GBEE C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(=O)NC)nn1 1522281143 IOWUPVBXVTZFTI-BZPMIXESSA-N 375.433 -0.355 30 10 GBEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1528411666 HECUXEDGASMGCM-DLBZAZTESA-N 385.420 -0.107 30 10 GBEE C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CS(C)(=O)=O)nn1 1574407916 QNPRUZUAFRFQGF-BZPMIXESSA-N 381.458 -0.240 30 10 GBEE Cn1nnnc1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1651360792 DRTNKLHFWJNZPN-UHFFFAOYSA-N 389.441 -0.345 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 1670592541 RXVGSSAOKDBZAL-AWEZNQCLSA-N 396.473 -0.463 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cncn1 1722397786 UKXSRZLURDMESK-OAHLLOKOSA-N 387.469 -0.065 30 10 GBEE C=CCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CS(=O)(=O)C[C@@H]21 1757698962 VWUPRKZGNDIGFD-LJIZCISZSA-N 398.481 -0.407 30 10 GBEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760509498 KVNOABQXKIGLHF-UHFFFAOYSA-N 398.471 -0.098 30 10 GBEE COCCCn1c(C(=O)N2C[C@@H](C#N)CC2=O)cc2c(=O)n(C)c(=O)n(C)c21 1848655363 LBSIRSQGAKCDFT-LLVKDONJSA-N 387.396 -0.413 30 10 GBEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN(CCO)CCO 1870575959 HNKUGRXJHVTGTA-UHFFFAOYSA-N 381.458 -0.336 30 10 GBEE CC1(C)OB(C=CCNS(=O)(=O)N2CCS(=O)(=O)CC2)OC1(C)C 2076076631 PKRJNPKWHNNHTL-UHFFFAOYSA-N 380.297 -0.261 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CCN(S(N)(=O)=O)CC3)co2)OC1(C)C 2281830006 GUQRQXLEJPXCOV-UHFFFAOYSA-N 385.251 -0.460 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CO 2281968128 BMCVWZOILHZRNL-NHCYSSNCSA-N 384.263 -0.711 30 10 GBEE CN([C@@H]1CCNC1=O)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282301644 GQIAMKTUYDESGK-CYBMUJFWSA-N 381.263 -0.110 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CN 2282350965 UYFYMNPLWVMPQU-WDEREUQCSA-N 388.274 -0.221 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCCC23CNC3)n1 2282503460 AHVPSPGIZSQFEO-UHFFFAOYSA-N 382.295 -0.154 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(C)CCOC1 2282833863 LODSBQFIVNAPDM-OAHLLOKOSA-N 386.283 -0.181 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](O)C[C@@H](F)C1 2282852412 OQVPNRFGDWIIRI-GHMZBOCLSA-N 389.258 -0.187 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2362450789 DEJGJMILNYRWDB-JGPRNRPPSA-N 381.263 -0.508 30 10 GBEE C#CCN(CC#C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 174047925 BBJNHCUNGDMHCO-UHFFFAOYSA-N 378.454 -0.307 30 10 GBEE CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 297856941 OUMPBAOQMXQSRP-UHFFFAOYSA-N 386.456 -0.608 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1 569151734 OSSPXRAYHPBPOS-AUUYWEPGSA-N 380.489 -0.247 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2COCCO2)c1 576887896 VSZSOXSBIJCAOA-NSHDSACASA-N 375.428 -0.818 30 10 GBEE CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 584864856 ZGTCCDWAERQBAT-LSDHHAIUSA-N 384.440 -0.367 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)OC3(CCCC3)C2)CC1 647555624 NMICAIHEEWJFGU-MRXNPFEDSA-N 392.500 -0.007 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CCCC)CC2)CC1 671941481 ZVPSKHCFXSSDEK-UHFFFAOYSA-N 393.532 -0.187 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCC2(C)OCCO2)n1 806377208 JSMMLPGOSFECLN-UHFFFAOYSA-N 378.429 -0.239 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 839598514 SLLLVJJYBIWIKY-CQSZACIVSA-N 377.422 -0.074 30 10 GBEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)CC#N)CC1 930629283 BXKVOAXIRUTFIE-UHFFFAOYSA-N 377.367 -0.477 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1119881096 NDVXUQJGKDOUEV-CQSZACIVSA-N 379.438 -0.441 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 1261327284 ADWFHMBGEAAJQE-LSDHHAIUSA-N 385.486 -0.184 30 10 GBEE C#CCN(C(=O)C(=O)NCC1(CN(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1323358850 XADDNELUEUSHAA-HNNXBMFYSA-N 383.514 -0.127 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)CC2)nc1 1327683406 WNJBAHBRQZKMKG-OAHLLOKOSA-N 398.423 -0.299 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1328517800 HCMZLZKPKNQDET-OZVIIMIRSA-N 392.424 -0.094 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 1331310231 CMTXVAWPWLFXDQ-MRXNPFEDSA-N 385.420 -0.160 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1343762515 GOEXJJXXQZFHRD-CVEARBPZSA-N 391.520 -0.198 30 10 GBEE COc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1349156051 OWJSSOAPXHKRCL-KRWDZBQOSA-N 393.421 -0.079 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1358984609 BTMXUVAELODCQH-HUUCEWRRSA-N 395.485 -0.233 30 10 GBEE C#CCN(C(=O)CNS(=O)(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1 1455812793 YYIHTTCSUNDZKV-UHFFFAOYSA-N 388.490 -0.099 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@H]1C 1507601436 QUAIJADVCLGSRY-ZIAGYGMSSA-N 384.506 -0.322 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(O)nc1=O 1522134805 ATMSFSDMFZPPIB-OXRQTFEDSA-N 376.413 -0.476 30 10 GBEE N#Cc1csc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 1536597885 CDPSUXLUSQRKMS-SNVBAGLBSA-N 381.439 -0.204 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(C)(=O)=O 1722702380 IWIYPZWHMSNWPS-GFCCVEGCSA-N 386.478 -0.583 30 10 GBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCc2nn(C)c(=O)cc2C1 1722724019 KUMBDBLNNDNBFE-UHFFFAOYSA-N 378.458 -0.156 30 10 GBEE C#CCN(c1nnc(CC)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748817012 CHQUXWROOLDOIY-PBHICJAKSA-N 381.502 -0.466 30 10 GBEE N#CCC(=O)N1CCC[C@@H](N2CCN(S(=O)(=O)N3CCCC3)CC2)C1=O 1854916029 DPRBXUJNOXAZJP-CQSZACIVSA-N 383.474 -0.624 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CCC#N)[C@@H](S(C)(=O)=O)C1 2017559065 WJWSIAQORGVGGV-QWRGUYRKSA-N 381.476 -0.148 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 2080600022 DGYDEBUGZNMXCA-JLIMGVALSA-N 378.447 -0.395 30 10 GBEE COC(=O)[C@@H](O)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282418857 LBTQNKUSXLKAQV-LBPRGKRZSA-N 386.235 -0.807 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2ncccn2)n1 2282489350 DPVZAQLNGAPTKV-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)N(C)C 2282502227 IDWQAAQAGYOMGC-JTQLQIEISA-N 386.283 -0.526 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H](O)[C@H]1C2 2359273607 KFGDGAMNDMTCNB-TUAOUCFPSA-N 383.279 -0.137 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2359402321 WIVKUCUHAOAFGH-SZEHBUNVSA-N 384.219 -0.927 30 10 GBEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 273413532 JHKCOIZXFQYRBJ-ZDUSSCGKSA-N 390.483 -0.077 30 10 GBEE COCCN(CCC#N)S(=O)(=O)N1CCN(CCC(=O)N(C)C)CC1 409515861 UZRTZAHRKSKNOQ-UHFFFAOYSA-N 375.495 -0.811 30 10 GBEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 439970987 CSDVENHMBKUOOT-HNNXBMFYSA-N 382.424 0.551 30 10 GBEE CC1(C)CN(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 527800987 QWJWPSHBUXTICE-UHFFFAOYSA-N 376.417 -0.502 30 10 GBEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(C(=O)CC#N)CC1 576644306 DDQZLVPEACMUSF-LBPRGKRZSA-N 379.442 -0.281 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCCN(CCOC)C(=O)C1)c1cc[nH]n1 772635591 DMGDFHAVTDSPIQ-UHFFFAOYSA-N 395.416 -0.599 30 10 GBEE N#CCc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)NCCN)C1)C2 1118962529 LRCNUWBBHULTSO-QGZVFWFLSA-N 397.479 -0.049 30 10 GBEE N#Cc1ncn(CCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n1 1157096961 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N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 1334303106 ASGLLWQFJLFAPD-RKVPGOIHSA-N 376.457 -0.377 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)CC1 1336222427 SMTPLQRHCFSCKI-HOTGVXAUSA-N 392.525 -0.330 30 10 GBEE CN1CCC(N2CC[C@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)CC1 1339109548 DZYMBLSWRTUGCO-YWMAMYRUSA-N 390.488 -0.020 30 10 GBEE C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1339709221 DJMCURUVWFDPTN-UHFFFAOYSA-N 388.476 -0.322 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCN(C(=O)COC)CC1 1343763569 MOHMZEXYGLGHOR-GJZGRUSLSA-N 378.477 -0.113 30 10 GBEE C#CCN(CC#CC)C(=O)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1354949993 FQIVKFLPJSSXQH-UHFFFAOYSA-N 396.447 -0.638 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1490790664 XZJOCNQRXWNVPA-SDFXEEBMSA-N 378.429 -0.497 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[S@@](=O)CC)CC1 1588732850 HVUDDOCICQTXIA-SANMLTNESA-N 380.518 -0.060 30 10 GBEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N1CCOCC1 1594856996 HVQZJYQICZQTDQ-LBPRGKRZSA-N 386.478 -0.631 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)CNc1ccc(S(N)(=O)=O)cc1F 1631312271 LEFDDBROGJUZBM-UHFFFAOYSA-N 379.435 -0.398 30 10 GBEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCC#CCN(C)C)CCS2(=O)=O 1638897179 GZRGUHMCHCGATH-XOYHFGRZSA-N 385.486 -0.250 30 10 GBEE COC(=O)[C@]1(N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)CCOC1 1685657122 MEBLEQRGFKDRMF-SFHVURJKSA-N 380.445 -0.034 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@H]1C 1722374384 YERRSSOAWHYZIW-ZQIUZPCESA-N 395.485 -0.499 30 10 GBEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1740985166 CVKUSSKOGZAVMX-CYBMUJFWSA-N 396.473 -0.254 30 10 GBEE C#CCCN1CC[C@H](NC(=O)[C@@H]2[C@@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)C1 2204212054 UMOIBHPKDDIUDC-FZKCQIBNSA-N 381.473 -0.069 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCOCCF 2267715293 VRLLGKHCBBXBKD-UHFFFAOYSA-N 377.247 -0.016 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1NCC1(C)C 2282302245 KZRCUXCEPPKDJP-JTQLQIEISA-N 385.299 -0.609 30 10 GBEE CNS(=O)(=O)[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2282599478 SMTHONJWPDMLTF-JTQLQIEISA-N 384.267 -0.527 30 10 GBEE CC1(C)OB(c2cccnc2C(=O)N2CCS(=O)(=O)CCN2)OC1(C)C 2282686962 YZZHKFPKELUDOL-UHFFFAOYSA-N 381.263 -0.244 30 10 GBEE COc1n[nH]c(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1 2282836031 DRIZHWDUPVJQMF-UHFFFAOYSA-N 385.215 -0.958 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(CN)CC1 2282840484 NLVCFYGTLPKOQL-UHFFFAOYSA-N 385.299 -0.478 30 10 GBEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284414253 PZZUMLVRRMDWNB-BXKDBHETSA-N 386.235 -0.507 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349515368 HCXJIFIZBPNUOX-KGLIPLIRSA-N 395.503 -0.893 30 10 GBEE COCCN(C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CCOC1 410860295 JEQZJOABBNSTCG-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](N(CC)CC)C2)CC1 459891503 ZIUAROBVIGEGPT-MRXNPFEDSA-N 379.505 -0.625 30 10 GBEE C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CCOCC2)CC1 501810833 SVCDZHPGTPWCIS-MRXNPFEDSA-N 386.518 -0.230 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 537345208 YXFXOENZWMTFIS-UHFFFAOYSA-N 381.458 -0.214 30 10 GBEE COCCOCCN1C(=O)C[C@@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 545501902 YQSXRTRFSILISQ-MRXNPFEDSA-N 387.440 -0.134 30 10 GBEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 551880626 NVMOTTQOLDYZKI-UHFFFAOYSA-N 398.488 -0.509 30 10 GBEE Cc1c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nn1C 592646891 NKZMLFDDEHZZID-UHFFFAOYSA-N 379.398 0.466 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)CO)CC1 658820615 YRPHPKASBKQCNJ-HOTGVXAUSA-N 380.489 -0.558 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 666004192 VZJDMOQQHZHVED-HNNXBMFYSA-N 388.490 -0.822 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 728532562 BWOXVWKKEFYFKX-UHFFFAOYSA-N 382.424 -0.042 30 10 GBEE C#CC[C@H](COC)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 858245171 OMFLXWVKRHLLNV-CQSZACIVSA-N 383.474 -0.089 30 10 GBEE C#CCN(C(=O)C(=O)NCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1117031875 JHDREAPFORHNCB-CQSZACIVSA-N 394.449 -0.161 30 10 GBEE C#CCN(C(=O)c1nc(S(N)(=O)=O)c2ccccn12)[C@@H]1CCS(=O)(=O)C1 1136355140 LNUURAIOWMNDTQ-LLVKDONJSA-N 396.450 -0.756 30 10 GBEE CCO/C=C/[C@](O)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1159761006 ABGVYHBUVUTRFQ-OOPCZODUSA-N 376.291 -0.220 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC(=O)Nc3ccccc3C2)CC1 1261557932 SFKLBQBMRLEISF-UHFFFAOYSA-N 382.420 -0.045 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN1CC(=O)NC1=O 1282217674 UNDBWPPLGAOFBR-BARDWOONSA-N 392.456 -0.127 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2COCCO2)CC1 1286469886 NPXFDUVQSMKQOQ-HNNXBMFYSA-N 376.461 -0.413 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 1322170851 AICGXOUSONUDKQ-AWEZNQCLSA-N 377.397 -0.038 30 10 GBEE CN1CCC(CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1322732654 HRKPTOATUAJMJK-FOCLMDBBSA-N 377.445 -0.523 30 10 GBEE C=CCOCCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 1327052534 IJEZTQIOXSENLT-UHFFFAOYSA-N 380.489 -0.292 30 10 GBEE N#Cc1cccc([C@H]2CN(C(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CCO2)c1 1329142900 NTUMKTLCJKVULU-RCCFBDPRSA-N 384.436 -0.264 30 10 GBEE C=C(C)Cn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CCN2CCOC[C@@H]2C1 1345961297 DBTHRXAOLCWRPJ-QWHCGFSZSA-N 375.433 -0.402 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1346362345 NHOLTTNFVDQOAY-LSDHHAIUSA-N 379.438 -0.257 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CS(C)(=O)=O)COC2)c1 1557243316 RJYCWSNVDIZUSP-UHFFFAOYSA-N 388.467 -0.306 30 10 GBEE CN(CCNS(C)(=O)=O)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1585741769 UVYUNUFWKDVVIK-UHFFFAOYSA-N 377.419 -0.256 30 10 GBEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 1589060782 YOHXLGGKQYHPJG-LBPRGKRZSA-N 383.499 -0.170 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)C1=O 1616231109 WZMJTZRMKCBDKA-LASWEOPPSA-N 393.396 -0.420 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCCOC)nc2)CC1 1632960834 MXBSKCSTUPJWLW-UHFFFAOYSA-N 396.469 -0.278 30 10 GBEE CC1=C(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H](C)n2ncnc2N1C 1639175397 PSDRKORAKVTVPL-MKBNYLNASA-N 376.442 -0.040 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)n1 1676353714 UKEKYKJNTDLQEP-UHFFFAOYSA-N 379.446 -0.089 30 10 GBEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CCO1 1698492951 HKLSWKLBMQIONC-HZSPNIEDSA-N 397.457 -0.676 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1719827392 QUAGCETWQCRZNV-FENQKFPNSA-N 376.413 -0.325 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccc2nn[nH]c12 1757734018 VSDSNPIIXNYLSX-UGFHNGPFSA-N 380.408 -0.041 30 10 GBEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(Cn4cncn4)C3)CC2=O)CC1=O 1856351619 RLFURFAUGWTERN-GDBMZVCRSA-N 386.456 -0.381 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3CCO[C@@]3(C#N)C2)[C@@H](O)C1 2237867572 DKDSGZIDYVELMA-DSIZOQBWSA-N 381.429 -0.140 30 10 GBEE CC1(C)OB(c2csc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)c2)OC1(C)C 2267525393 CXXFMUVAEJLWMP-QWRGUYRKSA-N 387.288 -0.065 30 10 GBEE CC1(C)OB(c2cnc(C(=O)NC3[C@H]4CS(=O)(=O)C[C@H]34)nc2)OC1(C)C 2282025594 QNCQOJAZXCKJGB-QWRGUYRKSA-N 379.247 -0.451 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 2282176237 RAGOOZJJBLJPPV-MGCOHNPYSA-N 384.267 -0.580 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CC[C@@H](N)C1 2282308280 PHJCTEASESHKCH-GHMZBOCLSA-N 385.299 -0.480 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@]3(CCN3)C2)n1 2282492908 UDTDZBACQRQHCB-INIZCTEOSA-N 382.295 -0.154 30 10 GBEE CO[C@@H]1C=CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282864451 GFAOSWCRDQSPPK-LLVKDONJSA-N 384.267 -0.310 30 10 GBEE Cc1nc(C(=O)N[C@@H](CC(N)=O)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284423622 VAYNOTMASZJJMW-QMMMGPOBSA-N 383.235 -0.191 30 10 GBEE C#CC(CO)(CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2290343913 PEEUBGMHPMNJKL-UHFFFAOYSA-N 381.259 -0.379 30 10 GBEE 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N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N3CCO[C@H](CC(N)=O)C3)CCO2)c1 1331412033 KDSSWIMARKPYFC-CVEARBPZSA-N 386.408 -0.439 30 10 GBEE CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1332411874 YPLKARZKGIBAFR-HNNXBMFYSA-N 377.445 -0.078 30 10 GBEE CN1CCC(N2CC[C@@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)CC1 1339109543 DZYMBLSWRTUGCO-IAFNSTAXSA-N 390.488 -0.020 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1345769483 LJTHYHFDQILQDK-OAHLLOKOSA-N 391.449 -0.907 30 10 GBEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1347566935 ACWIQWILZYQJNE-IHRRRGAJSA-N 378.429 -0.421 30 10 GBEE C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCS1(=O)=O 1472623725 IPUOUCDABMISJA-AAEUAGOBSA-N 385.467 -0.082 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COCCN(C)C)C[C@H]1OC 1572952324 KEKYCWUXEGAESD-LHHMISFZSA-N 383.489 -0.112 30 10 GBEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C 1587808059 MZXVNVKEJFHRST-OLZOCXBDSA-N 382.490 -0.031 30 10 GBEE 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10 GBEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358940048 MPDJCSBWIRMLEM-IRXDYDNUSA-N 398.485 -0.451 30 10 GBEE C#CCSCCn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359048715 AEYZJFKZEDEJGL-CYBMUJFWSA-N 376.486 -0.085 30 10 GBEE C=CCOCC(=O)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@@H]2CS(=O)(=O)C[C@@H]21 1490545721 RRNBZTGWYRZNAL-ZJOBFFGXSA-N 384.454 -0.938 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)OC)c1 1635865257 MDUHFORBJRMTNW-UKRRQHHQSA-N 380.422 -0.094 30 10 GBEE C#C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1638612690 MAYRXUOYGRYHHN-LBPRGKRZSA-N 399.494 -0.127 30 10 GBEE C#CC1(O)CCN(C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 1684006249 SYFSKLWOZQZKQM-UHFFFAOYSA-N 386.452 -0.069 30 10 GBEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705891463 GQVCFFWXQGNTGI-UHFFFAOYSA-N 394.443 -0.215 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1718221899 AQJQFTALDVYMHD-NCOADZHNSA-N 375.469 -0.269 30 10 GBEE 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N#C[C@@]12CN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)C[C@H]1CS(=O)(=O)C2 1635692461 GUNUVLSXIGDVRF-SJCJKPOMSA-N 391.405 -0.458 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1 1639817673 VMYZZJSJXBWCQM-LBPRGKRZSA-N 385.467 -0.651 30 10 GBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722724515 YNYDTIXKHIDCCQ-ZDUSSCGKSA-N 391.519 -0.295 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](C(N)=O)C1 1722727888 PBNCBGXYEVQWAY-GFCCVEGCSA-N 391.457 -0.353 30 10 GBEE C=CCCn1cc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1739041981 UAQRZEMQKISJQJ-KQTLUZQSSA-N 377.445 -0.029 30 10 GBEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1749664405 MRYNXNFNMMDBES-UHFFFAOYSA-N 399.455 -0.063 30 10 GBEE CC(=O)C(C(C)=O)N1CC[C@@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)C1 1856855836 JDOMCXMMYKXPPZ-QGZVFWFLSA-N 397.435 -0.141 30 10 GBEE N#CCCCN1CC[C@H](N2CCN(C(=O)CN3CCCS3(=O)=O)C(=O)C2)C1 1857171072 DSWVFZXVIQFCIZ-HNNXBMFYSA-N 397.501 -0.929 30 10 GBEE CC1(C)OB(c2cnc(NS(=O)(=O)C3CS(=O)(=O)C3)s2)OC1(C)C 1918008841 JFZONSDEVDBSME-UHFFFAOYSA-N 394.305 -0.019 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCNC(N)=O)OC1(C)C 2255750676 NYJDEUCQFDWIJX-UHFFFAOYSA-N 375.281 -0.006 30 10 GBEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[S@@](C)=O 2267357490 AQRROYQPXAPXSI-UZKFNYRNSA-N 392.312 -0.840 30 10 GBEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CO1 2282306063 ICWVRWBAHFQYES-MNOVXSKESA-N 386.283 -0.182 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCc1ncon1 2282329519 NSYMRXACTJRUAD-UHFFFAOYSA-N 383.239 -0.377 30 10 GBEE CCOC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282840991 RDZWOVAUAFKDTP-JTQLQIEISA-N 387.267 -0.051 30 10 GBEE C[C@H](O)CN(CCN)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2285301940 SYAZTVQBAYKDPA-NSHDSACASA-N 388.299 -0.951 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@@]2(CN)C1 2288265926 DSEIIQGXHGJZSW-MEDUHNTESA-N 382.295 -0.311 30 10 GBEE CC(C)NC(=O)C/N=C(\NCC(=O)N(C)C)N1CCC[C@]2(CNC(=O)C2)C1 262286341 KIIOIIQXTNHENP-SFHVURJKSA-N 380.493 -0.853 30 10 GBEE C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 288806361 JACPKXFZRUNJKN-GDBMZVCRSA-N 387.440 -0.088 30 10 GBEE N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCN1C1CC1 369220885 UVDWHIUEORFJDR-HZPDHXFCSA-N 399.517 -0.143 30 10 GBEE C[C@@H](CNC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)S(N)(=O)=O 541016745 IIQPZFAZMGWCTB-LBPRGKRZSA-N 376.438 -0.033 30 10 GBEE Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)n(CCC#N)n1 592309533 RIDFEHXYACTAPS-ZDUSSCGKSA-N 375.433 -0.378 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)COCc2ocnc2C(=O)OC)CC1 598989402 GZXUZUXSHRLHDY-UHFFFAOYSA-N 380.401 -0.576 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 657959752 JRSLLGBNBLQRGG-GOSISDBHSA-N 399.495 -0.081 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCOC[C@@H]2c2ccco2)CC1 659678601 MDSZHOUSYJGUTG-OAHLLOKOSA-N 390.440 -0.374 30 10 GBEE C#CCN1CCN(C(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 748817855 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C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1300535604 KMSIZNVPJNJHOM-CRAIPNDOSA-N 392.481 -0.206 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C)CC1 1300681973 CSTKYKCTAZWSPB-GJZGRUSLSA-N 397.549 -0.406 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1301429270 PGDBPIIGBVOHJE-NSHDSACASA-N 393.473 -0.269 30 10 GBEE C=CCNC(=O)CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1313389716 BQILKVVHRZLIKW-BGMSHATGSA-N 387.458 -0.513 30 10 GBEE CN(CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 1321619971 HLOOFMRVECUQEB-WUKNDPDISA-N 385.424 -0.118 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CCN1C1CC1 1329938148 IYJGXNZJHXYCDS-HNNXBMFYSA-N 397.501 -0.979 30 10 GBEE C#CC[C@H](NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1)c1ccccc1 1332826066 VWUJHBCKBDKLMS-HNNXBMFYSA-N 378.454 -0.526 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@H]1OC 1489546805 VRXYUQGSXJFMTQ-LVQVYYBASA-N 391.424 -0.058 30 10 GBEE 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379.486 -0.055 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C(=O)NC 1740957915 DHZUZUCIGQKRCC-RYUDHWBXSA-N 377.449 -0.650 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749663330 ALLJFOAIKPRBDV-SFHVURJKSA-N 384.444 -0.160 30 10 GBEE Cn1cc(/C=C\C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(=O)n(C)c1=O 1772821406 CKSQKZKZNAUJCI-ARJAWSKDSA-N 380.408 -0.287 30 10 GBEE COCCN(CC(=O)N1CCN([C@H](C)CCC#N)[C@@H](C)C1=O)S(C)(=O)=O 1856218828 RPCFOXNZWVAWNS-KGLIPLIRSA-N 388.490 -0.354 30 10 GBEE CN(CCS(N)(=O)=O)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2255637228 DTESQVNGTURFGW-UHFFFAOYSA-N 375.281 -0.197 30 10 GBEE CC1(C)OB(c2cc(C(=O)NCCN3CCCS3(=O)=O)[nH]n2)OC1(C)C 2281988910 SJGKVJKSNPIFFS-UHFFFAOYSA-N 384.267 -0.526 30 10 GBEE C[C@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1(=O)=O 2282051883 WYYKQKPNEPXCSL-NSHDSACASA-N 383.279 -0.022 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CC[C@@H]1CNC2 2282303993 DOTAIZXGDBGINC-BMIGLBTASA-N 383.283 -0.855 30 10 GBEE 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CC1(C)OB(c2ccc(C(=O)NCC3(O)CS(=O)(=O)C3)s2)OC1(C)C 2267905888 ROAMGKTYACYIMW-UHFFFAOYSA-N 387.288 -0.063 30 10 GBEE Cn1cc(C(=O)N2CC[C@H](S(N)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281972361 LWSCAMMEBGKJCS-JTQLQIEISA-N 384.267 -0.778 30 10 GBEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCNC1 2282348770 PDVTVXLSJLENMJ-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cncnc2)n1 2282501072 RVCJRKPMNOCLAA-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282610288 USLIKETXILUUMN-MDZLAQPJSA-N 384.263 -0.365 30 10 GBEE CCN[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282834934 ZCCDNPDCWKQZIL-NSHDSACASA-N 385.299 -0.513 30 10 GBEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2317409395 YNYXQWCASUQWMX-OZVIIMIRSA-N 376.475 -0.205 30 10 GBEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(CC#N)CC2)(S(C)(=O)=O)C1 2351765676 OXTVHXSRNBBJND-UHFFFAOYSA-N 386.474 -0.312 30 10 GBEE C=CCN1CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C)C1=O 2358725379 NJNPEDXSFHJMEU-RFGFWPKPSA-N 383.445 -0.427 30 10 GBEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)[C@@H](O)[C@H]3C(=O)O)c2)OC1(C)C 2359402018 KTGSZVXGSFTUQA-ADEWGFFLSA-N 383.231 -0.322 30 10 GBEE Cc1scc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2369542025 QSFBLAVSXVBZKY-WVWOOGAGSA-N 383.275 -0.059 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 273375138 CTJQUTMSAAPZAT-CQSZACIVSA-N 391.424 -0.084 30 10 GBEE CN1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1=O 287001552 MGDPGXCKKOWXAD-HOTGVXAUSA-N 397.435 -0.488 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)CC1 297695647 FDWSRSDQALSLIP-UHFFFAOYSA-N 385.424 -0.033 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)n1 435235485 MZHQPCXAGXSHCE-LJQANCHMSA-N 396.382 0.560 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 673281922 CBOVJXBCIGQIAN-GOSISDBHSA-N 399.495 -0.264 30 10 GBEE 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30 10 GBEE C[C@@H]1CNC[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282321967 DQDKNVCZDVVOOL-GHMZBOCLSA-N 385.299 -0.752 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCO[C@@H](C#N)C1 2282330085 VFRGOYJKQNTBIP-NSHDSACASA-N 382.251 -0.368 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN[C@H]2C[C@H]21 2282340624 IEHKUJLBWNRGSP-UHTWSYAYSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NC2(C(N)=O)CNC2)OC1(C)C 2282342590 JKDLKPLHVQWSSM-UHFFFAOYSA-N 381.263 -0.909 30 10 GBEE C[C@@H]1CNC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282861251 LWJMJUKCHHHEIH-WDEREUQCSA-N 385.299 -0.609 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 105315360 GHKVHDKGAPOYOB-SFHVURJKSA-N 395.548 -0.621 30 10 GBEE CN(CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 281517517 BRIIGXJCNCVIHW-UHFFFAOYSA-N 380.470 -0.295 30 10 GBEE C/N=C(/O)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 330521356 OFKXDCWPKWMYBO-UHFFFAOYSA-N 376.460 -0.481 30 10 GBEE 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30 10 GBEE C#CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1256976772 HWRWNRPNAYZWNX-GFCCVEGCSA-N 387.458 -0.724 30 10 GBEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1298543402 RBDLRYGHYUSBOA-CFVMTHIKSA-N 379.388 -0.174 30 10 GBEE CN1C(=O)NC2(CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)C1=O 1322797525 HISMZMPUPXTZEJ-UHFFFAOYSA-N 387.371 -0.144 30 10 GBEE CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CCc3c(CC#N)cccc3C2)CC1 1329341227 FGKUJHAIAUNOHH-UHFFFAOYSA-N 397.479 -0.130 30 10 GBEE C=CCCOCC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 1520248457 HPUJEYPTEKEWIB-FXUDXRNXSA-N 379.457 -0.081 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)c1 1656953836 RBCKFOCSFLLAIU-HNNXBMFYSA-N 391.453 -0.039 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nnc3n2CCC3)CC1 1677978918 OREYPIPYHDJFRD-LBPRGKRZSA-N 381.462 -0.920 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CC(N)=O)C1 1690669559 ISWGDUYEIKLCEF-CHWSQXEVSA-N 389.460 -0.377 30 10 GBEE 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30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CNC[C@@H]2O)OC1(C)C 2267723593 WGOPWGVTSBLDNZ-RYUDHWBXSA-N 388.320 -0.201 30 10 GBEE CC(C)(C)OC(=O)NC(CO)(CO)CNS(=O)(=O)c1cncc(C#N)c1 2270665733 ALPJNRUGFXBYCG-UHFFFAOYSA-N 386.430 -0.520 30 10 GBEE CC1(C)OB(c2cnccc2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)OC1(C)C 2281808664 WPYLICBDAOUHPF-LLVKDONJSA-N 381.263 -0.116 30 10 GBEE CCc1nn(C)c(C(=O)NC2CS(=O)(=O)C2)c1B1OC(C)(C)C(C)(C)O1 2281984962 IPRVRJQYKPESAO-UHFFFAOYSA-N 383.279 -0.192 30 10 GBEE COCC[S@](=O)CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282045673 AAIMYBVTUNQTNE-AREMUKBSSA-N 385.295 -0.156 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1c[nH][nH]c1=N 2282340072 AXNYYVVYZZJBHW-UHFFFAOYSA-N 382.255 -0.667 30 10 GBEE CC(C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(N)=O 2282414385 RVPKZRWOHBTJMQ-GFCCVEGCSA-N 386.283 -0.493 30 10 GBEE C#CCC[C@H](O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282492736 QIFWBVOLLYRATH-LBPRGKRZSA-N 383.279 -0.228 30 10 GBEE 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C#CCN(c1nnc([C@@H]2CNC(=O)C2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1345661462 CATDCVNSOXWZSL-KBPBESRZSA-N 377.470 -0.082 30 10 GBEE C#CCN(c1nnc(CC)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 1358964484 ZWPDCBXRLHXVGK-GFCCVEGCSA-N 389.503 -0.984 30 10 GBEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 1455094909 QTWJSTWPDDOFOH-WBVHZDCISA-N 391.449 -0.021 30 10 GBEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)CC2=O)cc1 1597327032 CWGYGFKSOQMAMZ-DZGCQCFKSA-N 389.437 -0.728 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 1622498806 WVFKZUISGLBZCO-UHFFFAOYSA-N 397.478 -0.411 30 10 GBEE Cn1c(=O)[nH]c(NCCNS(=O)(=O)c2ccc(F)cc2F)c(C#N)c1=O 1655404912 TUSJONQSSJXNGZ-UHFFFAOYSA-N 385.352 -0.386 30 10 GBEE C#CC1(O)CN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1 1659967223 IANSFVMOFYELMJ-UHFFFAOYSA-N 385.380 -0.609 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc3c[nH]nc3c2)CC1 1681058215 SWLKEZRBVNMRIM-UHFFFAOYSA-N 390.469 -0.100 30 10 GBEE C#CCN1CCC(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1721763018 JWIBHGRMNGLAGS-XWTMOSNGSA-N 377.485 -0.260 30 10 GBEE Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)c(O)nc1=O 1736479681 JZUBRDFEEWEHGM-USWWRNFRSA-N 377.426 -0.396 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncn(C)n1 1751215861 BCULRODWZCFTDN-HZMBPMFUSA-N 397.440 -0.493 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760520945 FAEUZDQOQIVINX-XIKOKIGWSA-N 387.444 -0.610 30 10 GBEE C#CCN(CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)C(=O)OC(C)(C)C 2059572755 RPJHVFSJNRYVSE-NSHDSACASA-N 376.431 -0.139 30 10 GBEE CC(C)(C)OC(=O)NC(CO)(CO)CNS(=O)(=O)N1CCC[C@H](C#N)C1 2270671181 WGCPUFBWSRAXFD-GFCCVEGCSA-N 392.478 -0.696 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281960332 YCYHNZXUJDNXDO-PWSUYJOCSA-N 383.279 -0.118 30 10 GBEE CCC(N)(CC)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282316850 IUXFAALZOZJKRU-UHFFFAOYSA-N 387.315 -0.090 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cncnc1 2282330386 YYAGPDAZDZJNDC-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@](C)(CN)C1 2282421839 TYEBYBVPHVZYFY-OAHLLOKOSA-N 385.299 -0.526 30 10 GBEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CO 2282659446 LHLFBHWQCSPTNK-AVGNSLFASA-N 383.275 -0.106 30 10 GBEE C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282847474 ZJICHRUMGVNGBZ-WDEREUQCSA-N 386.283 -0.494 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(C)(C)C(N)=O 2282856463 SPJPSKWPDNYVES-UHFFFAOYSA-N 386.283 -0.491 30 10 GBEE C[C@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284409314 HPNQLNNYFUSWJJ-DTWKUNHWSA-N 386.239 -0.650 30 10 GBEE C[C@H](/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)N1CCCCC1 329680490 RKAMIBISKAANIF-INIZCTEOSA-N 395.504 -0.222 30 10 GBEE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 422118200 PYQLNBXPOGJRTM-GFCCVEGCSA-N 390.469 -0.434 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)CC1 459886281 OKHUZPBGZWFYEU-ZBFHGGJFSA-N 378.473 -0.541 30 10 GBEE Cc1nnc(CN(C)CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C 465134338 XFWYWYYLNVFDRB-ZDUSSCGKSA-N 383.460 -0.046 30 10 GBEE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 577294946 WCRZJPBDYGPEGU-ZIAGYGMSSA-N 389.455 -0.477 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 593653510 ZZRYRHSJSLWPLM-UHFFFAOYSA-N 390.425 -0.031 30 10 GBEE COC[C@@H](CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)OC 595078366 VGVPFUODRHYBOX-CQSZACIVSA-N 386.412 0.554 30 10 GBEE N#Cc1cnccc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 828025146 ASPBZIIODPBTMR-OAHLLOKOSA-N 384.483 -0.412 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@H]2C[C@@H]2CCCO2)c1=O 902610753 UXGJVQFADQXQMB-CVEARBPZSA-N 392.456 -0.229 30 10 GBEE C#CCNC(=O)CNCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1316714866 GDMJYRYKWCEHJW-MTVAPTMQSA-N 385.424 -0.939 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 1328908732 MIMYTFRFTWZSSW-AWEZNQCLSA-N 379.438 -0.538 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1335472060 QHZUJJBHWHUFKO-HNNXBMFYSA-N 377.441 -0.787 30 10 GBEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C(=O)N3CC[C@@](F)(C#N)C3)C2)n1 1351422361 NRGUPQKDLUMQDY-SJORKVTESA-N 379.392 -0.008 30 10 GBEE N#C[C@]12CN(C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)C[C@H]1CS(=O)(=O)C2 1439797990 RNELMHRTYYMYQD-UYAYXHRUSA-N 393.465 -0.052 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](COC)C(N)=O)s1 1450287482 ILQOXRJPNFOOMX-NSHDSACASA-N 375.472 -0.286 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 1475623204 VJGDBRVCMQYXDD-UHFFFAOYSA-N 382.467 -0.359 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCOC2)CC1 1507727060 NEGHIRRWQOWGQQ-LJQANCHMSA-N 388.472 -0.693 30 10 GBEE C=CCn1cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)nn1 1557105940 YEADBELVFMOCDU-OAHLLOKOSA-N 388.403 -0.178 30 10 GBEE N#C[C@]12CN(C(=O)[C@H]3COCCN3CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1648155315 CTSXNOCKKMLKHI-DMDPSCGWSA-N 381.376 -0.354 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1 1648396100 XLGXSDAFGHKCON-RYUDHWBXSA-N 397.453 -0.053 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)OC(C)(C)C)CC1 1683610097 JSUWHLOKYRDTPX-CYBMUJFWSA-N 388.490 -0.241 30 10 GBEE C=CCN=c1[nH]c(=NCC=C)[nH]c(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]1 1871467275 LYTABJPKACJCND-UHFFFAOYSA-N 389.485 -0.365 30 10 GBEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)C(=O)NCC#N)C2 2174817087 KYUHUUAYNJTFCF-KRWDZBQOSA-N 382.417 -0.509 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]12COC[C@H]1C2 2282307024 WEJZPTCEPRMPCN-BMIGLBTASA-N 384.267 -0.571 30 10 GBEE CNCCOCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282330595 BMOLNMHVECFTMP-UHFFFAOYSA-N 385.295 -0.105 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]12CC[C@@H]1CNC2 2282345667 QMNHCPMKWXZTQZ-BDJLRTHQSA-N 382.295 -0.250 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H]2CCNC[C@H]2O)OC1(C)C 2282355114 ZAEOGHVBLOGCGW-ZIAGYGMSSA-N 382.291 -0.013 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CCN(CCO)C(=O)C2)OC1(C)C 2282523150 UWULARQVCTWSIJ-UHFFFAOYSA-N 381.263 -0.281 30 10 GBEE Cc1sc(C(=O)NC[C@@H]2NC[C@H](O)[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1 2282613472 LITKTHZADNMSQE-SGMGOOAPSA-N 382.291 -0.221 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C)(C(N)=O)C1 2282855921 KZHRRYCFMVCIQV-UHFFFAOYSA-N 384.267 -0.785 30 10 GBEE C=C(CS(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)O)B1OC(C)(C)C(C)(C)O1 2284406659 AVRUVJNPQYVHJJ-LLVKDONJSA-N 388.251 -0.221 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@@]2(CN)C1 2288258764 AAILCAJZZYZEBR-MEBBXXQBSA-N 383.283 -0.916 30 10 GBEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 266534089 CNWQKYNNMAILME-GFCCVEGCSA-N 383.401 -0.074 30 10 GBEE CN1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1=O 287007568 MOZTXDWCVSPFEJ-HOCLYGCPSA-N 397.435 -0.093 30 10 GBEE CC(=O)N1CCN(C(=O)CC/N=C(/O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1 328867994 HEFHQPZPEAQKLL-HOTGVXAUSA-N 381.477 -0.614 30 10 GBEE C[C@@H](CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1)S(N)(=O)=O 561605044 HKZPSLBPWQYMND-ZDUSSCGKSA-N 393.469 -0.610 30 10 GBEE CN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1=O 571299511 SWRRIBLIQBWWCQ-CYBMUJFWSA-N 386.455 -0.660 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C 685550839 CUMWCGQIYPYATD-STQMWFEESA-N 398.489 -0.536 30 10 GBEE C#CCN(CC(=O)NC[C@@H]1CN(CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 729266635 AXIHWVZSWDVIHA-IAGOWNOFSA-N 385.530 -0.418 30 10 GBEE CCS(=O)(=O)NCCS(=O)(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 845964215 OSOZMZYZOXSYLQ-CQSZACIVSA-N 375.472 -0.207 30 10 GBEE C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 847518049 JSFFKRKUJYLSAO-IFXJQAMLSA-N 386.408 -0.088 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)o1 1176629396 LLGGYHSIGWRAOF-OKILXGFUSA-N 393.469 -0.520 30 10 GBEE C#C[C@H](NC(=O)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1)[C@@H]1CCCO1 1328258792 CHBDRYJUMNTMPH-AUSJPIAWSA-N 398.419 -0.346 30 10 GBEE COC(=O)[C@@H]1CC[C@@H]2C(=O)N(CCN/C(O)=C3\N=CC=CC3=O)C(=O)N2C1 1329220974 BBKWILDCTGVEPV-DLUIAHABSA-N 376.369 -0.271 30 10 GBEE CC1(C#N)CCN(C(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)CC1 1331775059 OAUFDHPUXJHOKR-CABCVRRESA-N 389.456 -0.078 30 10 GBEE CN(CCCN1CCCC1)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1335058226 JXOGZBIBHKFVFF-UHFFFAOYSA-N 388.428 -0.852 30 10 GBEE C=CCOCC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1490547301 QLIJQQGCEKOGTE-HEGZZJKFSA-N 389.452 -0.460 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1nnnn1CC1CC1 1539273631 ZXKLNVLYBGFJFI-UHFFFAOYSA-N 393.455 -0.082 30 10 GBEE C#CCN(C(=O)c1cc(S(N)(=O)=O)sc1C)[C@@H]1CCS(=O)(=O)C1 1545062441 IBVOKSWVLQRJLH-SNVBAGLBSA-N 376.481 -0.034 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 1636480716 WCKSKTBMOBXDCY-UHFFFAOYSA-N 382.402 -0.743 30 10 GBEE 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MDVHZCLDZRRYAI-SFHVURJKSA-N 399.495 -0.737 30 10 GBEE CCN1CCN(C[C@@H](C)CNC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 920462011 QJTREEHPRYPCPX-JZXOWHBKSA-N 397.545 -0.160 30 10 GBEE Cc1cc(S(N)(=O)=O)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1156669462 CGTQNFJUVBDPCX-LRDDRELGSA-N 397.478 -0.039 30 10 GBEE COC[C@]1(CO)CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 1261519983 KDSGSIRGXGDFNI-QFBILLFUSA-N 375.425 -0.093 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc(OC(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1324514752 WMGRBJUULZLAJM-CYBMUJFWSA-N 393.421 -0.008 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(C(N)=O)o2)n1 1325407817 UDNGZCFKPQVUFG-UHFFFAOYSA-N 387.396 -0.500 30 10 GBEE CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1328365855 YUDHNMWQCKDRLI-XROPSADXSA-N 377.445 -0.382 30 10 GBEE C#C[C@@H](NC(=O)C(=O)NC1CCN(C(=O)CCCNC)CC1)[C@@H]1CCCO1 1329821400 CQOSHBNTTCPGCP-CVEARBPZSA-N 378.473 -0.610 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 1330199619 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10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690669460 FYYQMURSWYWTET-QWHCGFSZSA-N 387.444 -0.658 30 10 GBEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)C1 1690673944 JZKUNMQIUKEITR-UHFFFAOYSA-N 375.458 -0.128 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC 1705551776 QYOKUOPBOFXHPF-KGLIPLIRSA-N 385.490 -0.037 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1722352305 NWPURLRJAKTGQU-LBPRGKRZSA-N 386.499 -0.173 30 10 GBEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)NC 1722401784 BEDVIPIXLCWPGP-UHFFFAOYSA-N 391.457 -0.066 30 10 GBEE C#CCN(c1nnc(CC)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748817013 CHQUXWROOLDOIY-RHSMWYFYSA-N 381.502 -0.466 30 10 GBEE CON(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1771319747 NQRLXHXTUAWNQB-FOCLMDBBSA-N 389.416 -0.076 30 10 GBEE CN1C[C@@H](C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)CC1=O 1857071073 BAOGQLJNAKUHKA-JKSUJKDBSA-N 396.451 -0.319 30 10 GBEE C[C@@H](CS(N)(=O)=O)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255539292 XIRINSYYHLCKPK-QMMMGPOBSA-N 375.281 -0.151 30 10 GBEE C#C[C@@H]1COCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282339688 WFZSVEWPHXRMJD-GFCCVEGCSA-N 381.263 -0.258 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCNC1 2282340532 HIDUPTCLPYDKLX-LBPRGKRZSA-N 384.311 -0.003 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H]2CNCC[C@H]2O)OC1(C)C 2282417523 IORFOBFIOASQOT-UONOGXRCSA-N 382.291 -0.013 30 10 GBEE CCN(CC(=O)NC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856075 NHYWSUCCRQXXOK-UHFFFAOYSA-N 386.283 -0.524 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](F)C[C@H]1CN 2282860789 GLMPYKGQKAJKGG-ZJUUUORDSA-N 389.262 -0.826 30 10 GBEE C[C@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2284399314 JAQDPCAEZUPBDK-GXSJLCMTSA-N 385.251 -0.045 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2C[C@@H]3C[C@H]2CN3)n1 2366870607 TVIXXEQAIFMBAR-GVXVVHGQSA-N 382.295 -0.252 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC[C@]4(CNC(=O)C4)C3)CC2)n1 410732293 KJIMYYNCNWAJCZ-FQEVSTJZSA-N 396.451 -0.269 30 10 GBEE C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1C 587647214 HCGAJCJZKWBCHD-ZDUSSCGKSA-N 384.440 -0.273 30 10 GBEE N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)ccc1F 599891768 YEKJKHBWZLNYNC-UHFFFAOYSA-N 388.403 -0.195 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 839597665 MFZVNRBOGLGJSF-ZDUSSCGKSA-N 383.364 -0.147 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 843245085 ZFUNNWLSBUYARQ-QGZVFWFLSA-N 390.484 -0.749 30 10 GBEE C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1CCOCC1 852646492 HEOXSIRSQDSITP-MRXNPFEDSA-N 376.457 -0.109 30 10 GBEE C=C1[C@@H](C(=O)N2CCO[C@@H]3COCC[C@@H]32)[C@@H]1C(=O)N1CCO[C@@H]2COCC[C@@H]21 888786080 YXZFVOCFPLXQEX-DWMDIXPDSA-N 392.452 -0.179 30 10 GBEE C#CCN1CCN(C(=O)CN2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1 933841614 SZGLNTSQWDKVEK-HXUWFJFHSA-N 377.485 -0.066 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1)[C@H]1CCS(=O)(=O)C1 1117361031 GTFOEOSKHZTDME-UONOGXRCSA-N 384.454 -0.563 30 10 GBEE CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1Cc2cccc(C#N)c2C1 1118360371 ZBMZWSAAPCADTD-UHFFFAOYSA-N 379.442 -0.651 30 10 GBEE CN(C)S(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1282623101 LXKNEVGGWIIZJY-RDBSUJKOSA-N 379.442 -0.361 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1323363389 YHQUYASJAADAEY-AWEZNQCLSA-N 393.421 -0.098 30 10 GBEE C#CCN(C(=O)C(=O)NCCCN1CCCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1323609074 HRSXDSYVQLHNJS-HZPDHXFCSA-N 399.513 -0.748 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)C1=O 1329761533 YMBXJCPOPQDNPG-IHRRRGAJSA-N 383.470 -0.875 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1346993996 ZHXNHKWLHPMHCV-YESZJQIVSA-N 395.415 -0.509 30 10 GBEE C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1347516107 GZJVAKGMKCFJLV-DKASORFFSA-N 376.413 -0.201 30 10 GBEE C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1348015712 VTCMTIRWOXREIC-ZTENYAIWSA-N 377.441 -0.444 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1349271188 IXZGPBDHPYIEEB-OLZOCXBDSA-N 378.406 -0.802 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1539175500 ZRNOMWYMZWGPOS-CHWSQXEVSA-N 380.474 -0.277 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1n[nH]c(C)n1 1539239014 GABDGWFVSWXSAA-LBPRGKRZSA-N 390.473 -0.370 30 10 GBEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCCS1(=O)=O 1585660414 MFPAAXUSXHBCQB-KCQAQPDRSA-N 389.499 -0.557 30 10 GBEE COc1cccc(C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)c1 1588304941 DRJVKJNGNONZBH-UHFFFAOYSA-N 397.391 -0.186 30 10 GBEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNS(=O)(=O)NC)CCC1 1740307826 DQTZHLBESGBSDG-RDBSUJKOSA-N 382.486 -0.518 30 10 GBEE C#CCN(c1nnc(C)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748805172 PGZNSRXLSZZPBW-OAHLLOKOSA-N 377.474 -0.025 30 10 GBEE C#CCCN1CC[C@H](NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2204220665 RYZSVGQWADLYBH-QMTMVMCOSA-N 381.473 -0.067 30 10 GBEE O=C(N[C@H](CS(=O)(=O)NCC#CCCO)C(=O)O)OCc1ccccc1 2244224536 QBJXSCNUKDLRPW-CQSZACIVSA-N 384.410 -0.329 30 10 GBEE CC(C)[C@H](C#N)CS(=O)(=O)NC(CO)(CO)CNC(=O)OC(C)(C)C 2254612118 UNMDZGZGLLVRQD-GFCCVEGCSA-N 379.479 -0.050 30 10 GBEE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281804181 ICRKATLWBDSIQM-NTZNESFSSA-N 384.263 -0.365 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2281929520 BRIBRMSLVCAYOJ-JQWIXIFHSA-N 381.263 -0.032 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2281959624 OTGPDKDNTSNOFK-ZYHUDNBSSA-N 383.279 -0.118 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(C[S@](C)=O)C1 2282192393 WVLUSBYUZZTEPU-SANMLTNESA-N 382.295 -0.045 30 10 GBEE C[C@@H]1CNC[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282845837 ZSBOUGYNGJUCNZ-NWDGAFQWSA-N 384.311 -0.004 30 10 GBEE 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CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1=O 1328998010 ORQJLUOVYVGTQI-INIZCTEOSA-N 397.435 -0.139 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 1329368197 FVPAZYKFAFVRQG-CHWSQXEVSA-N 383.470 -0.849 30 10 GBEE C=CC[C@H](CC)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 1342265239 DLVVRNUPYYBNGC-AWEZNQCLSA-N 388.490 -0.822 30 10 GBEE C=C[C@@H](O)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1440779942 CNVGTNFAWYEQNY-OAHLLOKOSA-N 396.469 -0.702 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc(C(N)=O)c2)CC1 1468511004 ZNXFSDPZRLWVPW-UHFFFAOYSA-N 393.469 -0.877 30 10 GBEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1569561175 PHHKRSBVMGFNDZ-RTXFEEFZSA-N 387.389 -0.944 30 10 GBEE N#Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1 1642373179 GJPIYVROTUFYQX-GJZGRUSLSA-N 377.422 -0.297 30 10 GBEE C#CCN1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1 1644638425 QYNFRWXHBVFVNC-ZFWWWQNUSA-N 392.481 -0.334 30 10 GBEE C=CCCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1735269737 WFGLBLMMAMAMQE-GHJPUPADSA-N 375.429 -0.516 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 1739916126 JHQMEZPFGQIROX-DGAVXFQQSA-N 378.429 -0.470 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCN(C(C)C)C3=O)CC2=O)CC1=O 1854753673 IKWVKHVWUPKMOK-LSDHHAIUSA-N 376.457 -0.299 30 10 GBEE CC[S@@](C)(=O)=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255950904 WCQUVQKFEVERGO-HSZRJFAPSA-N 378.285 -0.079 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NOCCC(=O)O 2269017081 SAYPVABRIZQRER-UHFFFAOYSA-N 375.212 -0.596 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2CC[C@](O)(CO)[C@@H](O)C2)OC1(C)C 2281806871 MFNLUFZFLIETCK-ZBEGNZNMSA-N 384.263 -0.628 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC4(CNS(=O)(=O)C4)C3)co2)OC1(C)C 2281816817 CDCLDSNZVRNJQN-UHFFFAOYSA-N 382.247 -0.046 30 10 GBEE CC1(C)OB(c2cnc(C(=O)N3CC(NS(C)(=O)=O)C3)nc2)OC1(C)C 2282021080 HYIWLBGKIJHQIU-UHFFFAOYSA-N 382.251 -0.851 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1O 2282310713 XTAAFLJZVMRLPM-QWRGUYRKSA-N 386.283 -0.304 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CCOC[C@@H]2[C@H](O)CO)OC1(C)C 2282612198 RWRCIAQYXFXMNB-VXGBXAGGSA-N 384.263 -0.364 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCN1CCCC1 2282841839 QGCIUGHKVVZAFB-UHFFFAOYSA-N 385.299 -0.512 30 10 GBEE CN1CC[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1=O 2282846183 GBCLJVQSBULSHE-NSHDSACASA-N 384.267 -0.772 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H](N)C(C)(C)C 2362085424 ZIMOTISGVBORFX-JTQLQIEISA-N 387.315 -0.234 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(S(C)(=O)=O)C1 2362341595 NOOBYZYXDKVNCS-UHFFFAOYSA-N 384.267 -0.907 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCO)[C@@H](C)C3)CC2)o1 249592036 VSASTDBAEXPMMW-AWEZNQCLSA-N 376.461 -0.498 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1=O 373670201 QXTBLDJSVKJCQF-APPDUMDISA-N 379.369 -0.999 30 10 GBEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 408026815 JBWWASWRJWGKDR-MJBXVCDLSA-N 376.454 -0.016 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCC(OC)CC2)CC1 499261607 QHUGJZPPJPPMDN-UHFFFAOYSA-N 380.489 -0.246 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 508829859 WHGYLVLCHWGVOI-CHWSQXEVSA-N 398.489 -0.536 30 10 GBEE C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2)C[C@@H](C)O1 508940717 DKLFFRKKECKHAY-OKILXGFUSA-N 387.440 -0.010 30 10 GBEE CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)cc2C1=O 566478843 VEHMSIAOVQEZLP-UHFFFAOYSA-N 376.394 -0.341 30 10 GBEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cs1 568364168 KPYNMXKGQTUMOC-UHFFFAOYSA-N 390.490 -0.207 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCC4)CC2)n1 576297591 JCCGHVLXAUGNBJ-UHFFFAOYSA-N 394.439 -0.154 30 10 GBEE C#CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1)[C@H]1CCS(=O)(=O)C1 733135593 HLXDWXBMBSMNSI-ZACQAIPSSA-N 395.525 -0.032 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1321408516 CINAJKPESWLIAL-CVEARBPZSA-N 399.513 -0.892 30 10 GBEE N#Cc1csc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n1 1327576162 XHDYOQSCIRADNP-LBPRGKRZSA-N 383.499 -0.564 30 10 GBEE C#CCN(CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)CC(=O)N1C[C@H]2CCN(C)[C@H]2C1 1330262592 WGWZYWRSNQFZJX-SEXKYXSUSA-N 387.528 -0.753 30 10 GBEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1342062015 PCHKCFWRIHGRRC-CABCVRRESA-N 386.460 -0.212 30 10 GBEE C#CCN(c1nnc(CN2CCC[C@@H](O)C2)n1CC)[C@H]1CCS(=O)(=O)C1 1342872378 YSYAWSOSMQYPEG-LSDHHAIUSA-N 381.502 -0.119 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](O)C(F)(F)C3)CC2)c1 1346889171 KSHHLANKFFLMAN-CYBMUJFWSA-N 379.367 -0.170 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2nc(C)no2)C(C)C)CC1 1479620448 WBYFPJODJSCVMM-CYBMUJFWSA-N 384.462 -0.130 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1507642550 KWYICLVQLWXBEI-UONOGXRCSA-N 381.458 -0.624 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 1558607925 KDMDVGJFCZPOSK-OCCSQVGLSA-N 399.494 -0.405 30 10 GBEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1CN(C)CCN1C 1565484099 PNQPNMHOBXAMSZ-SMDDNHRTSA-N 375.433 -0.979 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 1588198974 DAAZNQWGZDSQLF-KRWDZBQOSA-N 385.449 -0.148 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1 1611685597 JBTOBTIHGCYCNF-DLBZAZTESA-N 392.481 -0.106 30 10 GBEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1643858480 DGHXASDDDTYPHG-LBPRGKRZSA-N 383.426 -0.125 30 10 GBEE C=CCN1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(=O)C1(C)C 1856377662 ZZTKCIIBHPQQSC-UHFFFAOYSA-N 388.428 -0.931 30 10 GBEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)C(=O)C2)C1 1856832826 VWSMRVSFQMTHNI-CQSZACIVSA-N 389.456 -0.981 30 10 GBEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2cccnn2)C1)[C@@H]1CCN(C)C1=O 1857298679 FJDHHLKGXQJKJC-LSDHHAIUSA-N 387.440 -0.051 30 10 GBEE C#C[C@]1(O)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2249437064 GAVSFFYBNKNACD-PBHICJAKSA-N 396.421 -0.234 30 10 GBEE C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282297438 FKMXEEPGCQDWOY-GHMZBOCLSA-N 385.299 -0.385 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](N)C(C)(C)C1 2282328543 ZCQPOHNHTMMBSU-JTQLQIEISA-N 385.299 -0.528 30 10 GBEE CN(Cc1ncno1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282328964 FVIDLFJDECYEEZ-UHFFFAOYSA-N 383.239 -0.077 30 10 GBEE Cc1nnc(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)o1 2282495605 OKRPSGCKHCUMGT-UHFFFAOYSA-N 383.239 -0.111 30 10 GBEE CC(C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NS(C)(=O)=O 2282583187 GMXFAJKJLOPUNO-UHFFFAOYSA-N 386.283 -0.234 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCNC1 2282833795 KHVASQNWOQAQPV-NSHDSACASA-N 385.299 -0.608 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H](CN)C(F)(F)F)n1 2282839536 FPHMRLQHCGGCMR-VIFPVBQESA-N 398.216 -0.113 30 10 GBEE 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Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C(CO)[C@H]2C1 2282851552 DKYSLCVGILQFKW-QWRGUYRKSA-N 383.279 -0.422 30 10 GBEE CC1(C)OB(c2cnc(OC[C@@H]3CCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204887842 VKPYCUOSVZZDKD-TZMCWYRMSA-N 393.249 -0.644 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)CC1 459886276 OKHUZPBGZWFYEU-GOEBONIOSA-N 378.473 -0.541 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(F)(F)C[C@H]1CO 594636204 FXGSILBJQHIPBV-MNOVXSKESA-N 389.446 -0.418 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)NS(=O)(=O)c3cccc(F)c3C#N)cnc21 781598627 AAZSYUBWZFAZRE-UHFFFAOYSA-N 390.356 -0.354 30 10 GBEE N#CCC(=O)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 807923207 OKRWDXFVEZHGLJ-HNNXBMFYSA-N 386.387 -0.170 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc(OC)c2)CC1 1175514614 BDOHBOGBMGIVDW-UHFFFAOYSA-N 394.453 -0.963 30 10 GBEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1185753528 QBNLQZILYNRYFS-OLZOCXBDSA-N 385.529 -0.184 30 10 GBEE CN(C)C1CCN(CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1324462935 HSXPTLJWDJSRFR-MSUUIHNZSA-N 378.477 -0.162 30 10 GBEE CN1CCC[C@H](CN(C)C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1329873873 NEVPLAPBEJOPDT-LBPRGKRZSA-N 388.428 -0.996 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1cnc(C2CC2)nc1)[C@H]1CCS(=O)(=O)C1 1346969078 ZMTXKQLDXAOWHB-HNNXBMFYSA-N 390.465 -0.338 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nc[nH]n2)CC1 1452536915 BSLORXCAIHAMLQ-GFCCVEGCSA-N 389.441 -0.308 30 10 GBEE C=CCCn1cc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)nn1 1472221605 BVQHFKZEGCZNIF-BGMSHATGSA-N 381.458 -0.205 30 10 GBEE N#CCNC(=O)CN1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1502098920 GJHKCZLWYXBEEF-FWCYYJLNSA-N 387.484 -0.732 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC)CC1 1539452341 PRUWJDMFGHGFBU-HNNXBMFYSA-N 381.502 -0.028 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1541678474 AYAXJKQZGAQRGS-CHWSQXEVSA-N 396.473 -0.420 30 10 GBEE C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1627721228 ARHNAQMKZNGAKJ-GJZGRUSLSA-N 388.472 -0.162 30 10 GBEE N#Cc1cn(CCC(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c(=O)nc1O 1627722632 FJCMRORPXJBFCA-MRXNPFEDSA-N 380.426 -0.362 30 10 GBEE CCOC(=O)[C@@H]1CCCN(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1628386601 XGCLPEKTEUXVEM-VLUKHXRESA-N 378.429 -0.096 30 10 GBEE N#Cc1cn(CC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)c(=O)nc1O 1639198371 HEFJBJOJWOANEU-HNNXBMFYSA-N 376.413 -0.105 30 10 GBEE C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)OC 1639558356 IBDGDDKXYJKDOL-CABCVRRESA-N 383.445 -0.973 30 10 GBEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1675460915 DPMRPPDKTQKVCN-UHFFFAOYSA-N 382.398 -0.394 30 10 GBEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)NC 1705626070 HYZPNBISNKTTBN-UHFFFAOYSA-N 380.474 -0.081 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1740610323 WYQRDRUFMFUGET-CABCVRRESA-N 381.502 -0.030 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCn1cncn1 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C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1256204195 VJWATEGLIFLOGW-YXXKGXSTSA-N 386.470 -0.041 30 10 GBEE C#CCCCCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O 1289603033 ATGXPZBYGHGNAB-WCVJEAGWSA-N 379.457 -0.319 30 10 GBEE C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CS(C)(=O)=O)CC1 1292051427 RFADJDZYYMYNDU-OAGGEKHMSA-N 381.498 -0.376 30 10 GBEE C#CCN1CCN(c2nnc(C3CC3)n2CCOCCS(C)(=O)=O)CC1 1300697709 IILMJVIANNFFME-UHFFFAOYSA-N 381.502 -0.028 30 10 GBEE C#CCN(C(=O)C(=O)NCC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1322781571 ODJFCPVIUSABDR-SPSFWMDKSA-N 376.500 -0.701 30 10 GBEE O=C(CCNS(=O)(=O)c1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 1338792645 ICACYFZEUJKUIH-WUKNDPDISA-N 392.437 -0.002 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C)CC1 1340604118 ZCOUCMSIDKRIKW-AWEZNQCLSA-N 384.502 -0.917 30 10 GBEE Cn1cc(O)c(=O)cc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1350742559 ARNUHBRSZNENNT-UHFFFAOYSA-N 390.421 -0.164 30 10 GBEE 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C=CCSCCn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1595845246 PWJYWEKNJBNKRM-UHFFFAOYSA-N 377.478 -0.159 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1O 1702213727 KGLHYLMEAZABKI-SYQHCUMBSA-N 388.486 -0.664 30 10 GBEE C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CNC(=O)NC)nn1 1702914524 LZMYUNIHQYVAGW-DYEKYZERSA-N 375.433 -0.355 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1741679019 NNOWCUDJVMKBSS-DYVFJYSZSA-N 378.433 -0.049 30 10 GBEE COc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)n1 1772930586 SGSNIXABZNPTPZ-UHFFFAOYSA-N 397.460 -0.328 30 10 GBEE Cc1nn(C)cc1C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857146372 DSYPZZXYKOYJJJ-MRXNPFEDSA-N 394.439 -0.048 30 10 GBEE CN(CC[S@@](C)=O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267418021 GJJPNPRBMBTPPO-XMMPIXPASA-N 391.324 -0.282 30 10 GBEE COC[C@@H](CF)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267706492 ZTNLNVZBWQNBOC-SNVBAGLBSA-N 377.247 -0.018 30 10 GBEE 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CCC(=O)N[C@@H](CCSC)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 600832578 ZNNQUAJWQXXDQR-LBPRGKRZSA-N 379.442 -0.148 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 658447387 OHLDMTYUISMJSD-HNNXBMFYSA-N 379.505 -0.578 30 10 GBEE O=C(N[C@H]1CCN(O)C1=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 820185274 LMKPADAKWPWPTO-UONOGXRCSA-N 387.396 -0.358 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCCN1CCO 833565836 MNGNUKVGRJIKBE-CYBMUJFWSA-N 380.470 -0.312 30 10 GBEE COc1ccc(CNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1C#N 846737008 AGDXLIABVSCSDP-UHFFFAOYSA-N 387.440 -0.585 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 875604109 IXSDLAAEQXBXIM-XNHLSEOASA-N 376.501 -0.090 30 10 GBEE C#CCN1CCC(C(=O)NC[C@H](CO)NC(=O)C2CCN(CC#C)CC2)CC1 913913857 DWGLCVRZBHHUOT-LJQANCHMSA-N 388.512 -0.730 30 10 GBEE C#CCN(C(=O)C(=O)NCc1c(C)cc(C)nc1OC)[C@H]1CCS(=O)(=O)C1 1117175375 JTYTWSCNHBTPDM-AWEZNQCLSA-N 393.465 -0.028 30 10 GBEE C=CCn1c(S)nc2cc(C(=O)N3CC(S(N)(=O)=O)C3)ccc2c1=O 1142056016 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377.492 -0.445 30 10 GBEE CN1C(=O)c2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2C1=O 1558805338 KJYKCHHKXXCORR-UHFFFAOYSA-N 379.332 -0.257 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 1587092304 AGVOVVDLSWKLDX-CQSZACIVSA-N 375.406 -0.140 30 10 GBEE N#C[C@]12CN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)C[C@H]1CS(=O)(=O)C2 1598568685 ZBKDHUBLPLHTSE-MPXOCVNLSA-N 379.360 -0.160 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(O)ncnc3c2)CC1 1632965869 FLIWRWSTIXDGGQ-UHFFFAOYSA-N 375.410 -0.439 30 10 GBEE N#C[C@@]12CN(C(=O)NCc3ncc4c(n3)CCOC4)C[C@H]1CS(=O)(=O)C2 1683636461 RNZZGNFRIARTPQ-LRDDRELGSA-N 377.426 -0.371 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C 1702252907 RPKWJFJEYRGNNO-CTASWTNQSA-N 387.502 -0.178 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(N)=O)CC1 1719859374 DBMBBCQKOLSABG-BARDWOONSA-N 376.457 -0.029 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@H]1OC 1735897121 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30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NCCS(N)(=O)=O)c2)OC1(C)C 2267715709 BGFLEXDGFWZNQY-UHFFFAOYSA-N 390.292 -0.447 30 10 GBEE CC1(C)OB(c2cccnc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2282174975 TUAHUHGGBSJBPR-VXGBXAGGSA-N 382.247 -0.732 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3COCC[C@H]3O)c2)OC1(C)C 2282348928 RGZBBPVWPDQBOQ-ZIAGYGMSSA-N 384.263 -0.191 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCNC1 2282348985 SELWTIGXKSXSML-GFCCVEGCSA-N 384.311 -0.003 30 10 GBEE Cc1nn(C)c(C(=O)NC[C@@H]2CCS2(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282580719 XMBBVVISHNVRCI-NSHDSACASA-N 383.279 -0.055 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CCC(=O)N3)c2)OC1(C)C 2282867568 AXRICBQNPCAVKR-GFCCVEGCSA-N 381.263 -0.062 30 10 GBEE C[C@H]1C[C@@]1(NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404864 BXOAFQWBZYQUQV-VFZGTOFNSA-N 385.251 -0.139 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H](O)[C@@H](O)[C@H]2C(=O)O)OC1(C)C 2359402320 WIVKUCUHAOAFGH-FKTZTGRPSA-N 384.219 -0.927 30 10 GBEE 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30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1757751346 AYWKJGLFPLJWMO-ATGSNQNLSA-N 377.445 -0.271 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760523376 WKTDQJWDYRNMPL-CYBMUJFWSA-N 393.473 -0.396 30 10 GBEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CN2CCOC2=O)C1)[C@@H]1CCN(C)C1=O 1857075086 XEIZJUANVUEPRM-HUUCEWRRSA-N 392.456 -0.078 30 10 GBEE CC#CC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C(=O)O 1890784449 KILZNGGBFAUPSX-VXGBXAGGSA-N 388.442 -0.093 30 10 GBEE O[C@H]1[C@H](O[C@H]2[C@@H]3O[C@@H]3[C@@H]3OC[C@H]2O3)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 2081159561 LYXNVXVKRZBOEZ-MIMYIXFMSA-N 394.376 -0.545 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@](O)(C(=O)O)[C@H](O)C1 2197454919 IBGUADJIMUPRIA-QFSBIZTOSA-N 385.417 -0.018 30 10 GBEE Cc1cc(S(=O)(=O)NC[C@H](N)CO)sc1B1OC(C)(C)C(C)(C)O1 2255740156 WDYMVLMWKMHNNX-JTQLQIEISA-N 376.309 -0.046 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CNC[C@@H]2O)OC1(C)C 2267473517 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30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)c1 583763657 GYYCAPLVZMIRTC-UHFFFAOYSA-N 398.466 -0.311 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)C1=O 632851310 ZOSODAUKUBNQJJ-UAGQMJEPSA-N 389.456 -0.046 30 10 GBEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1O[C@@H](C)C(=O)N(C)C 765591240 KDBZFKVXKYEMNR-JTQLQIEISA-N 375.385 -0.123 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCSC)NC(=O)CC)CC1 831555844 BAHWFBJVYGGVOI-ZDUSSCGKSA-N 390.531 -0.754 30 10 GBEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 839197908 NLSXLDZYYNHVIE-MRXNPFEDSA-N 393.465 -0.020 30 10 GBEE COC(=O)N(C)CCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 850607974 WXJJZMPJMAZYRE-UHFFFAOYSA-N 388.428 -0.242 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1cc[nH]n1 863835487 JPRRFYZTYKMHCM-CYBMUJFWSA-N 377.401 -0.037 30 10 GBEE C[C@H]1CN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@H](C)N1CC#N 915670076 ZOCTXDVETILBSG-GJZGRUSLSA-N 386.522 -0.809 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 1117292960 UPNHRNMOLMPQFA-HNNXBMFYSA-N 387.502 -0.585 30 10 GBEE C=C1[C@@H](C(=O)NC[C@H]2CCN(C)C(=O)C2)[C@H]1C(=O)NC[C@@H]1CCN(C)C(=O)C1 1119649741 ACKIPQXIGTVQQV-PURYLZLUSA-N 390.484 -0.242 30 10 GBEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1121511158 ZWQYXFJBCVSRHZ-JKSUJKDBSA-N 391.520 -0.152 30 10 GBEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCN(S(=O)(=O)CC)CC1 1121610494 SNKAPTDJEYTWBI-UONOGXRCSA-N 384.506 -0.327 30 10 GBEE N#Cc1cn(CCNC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)c(=O)nc1O 1301213293 MXLCEUPJDINEKT-QWRGUYRKSA-N 390.318 -0.079 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cc(C(N)=O)ccc1C)[C@@H]1CCS(=O)(=O)C1 1321624579 DFOXKXRQWSEAPI-CYBMUJFWSA-N 377.422 -0.319 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)[C@@H]1CCS(=O)(=O)C1 1328086081 PRTZDFQPLIYDRC-CQSZACIVSA-N 389.433 -0.440 30 10 GBEE COC(=O)[C@]1(N2CCN(C(=O)C(=O)N3CCC(C)(C#N)CC3)CC2)CCOC1 1331399539 LXRDNHJYZFODER-IBGZPJMESA-N 392.456 -0.385 30 10 GBEE 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CNC(=O)[C@@H]1CNCCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2281993625 DTZHCBKANDXBGN-NSHDSACASA-N 380.279 -0.398 30 10 GBEE Cc1nc(S(=O)(=O)N2C[C@@H]3C[C@@]3(N)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508567 XYDCJPSQWSMGRN-MEDUHNTESA-N 382.295 -0.251 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3CCNC(=O)[C@H]3C(N)=O)s2)OC1(C)C 2282668352 YRJIDPHCLSKXSA-LLVKDONJSA-N 379.247 -0.527 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CC[C@@H]2C(=O)O)n1 2284396545 WGOHMPZPEBSOQF-ONGXEEELSA-N 385.251 -0.139 30 10 GBEE C[C@H](F)[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284398212 VPKIOROWGCBVKM-WPRPVWTQSA-N 391.230 -0.191 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1NC[C@@H](O)[C@H]1O 2359278478 WAVJFUTVDPJWAF-FOGDFJRCSA-N 383.279 -0.826 30 10 GBEE C#CC(CO)(CO)N[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2377343685 MJDRDQYPESXBKL-ROUUACIJSA-N 384.429 -0.444 30 10 GBEE CNC(=O)CN(CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N[C@](C)(C#N)C1CC1 507326713 ONOLDYGKHCAFRL-RTBURBONSA-N 388.472 -0.349 30 10 GBEE N#Cc1cnccc1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 592080111 NEDKACSCOAQDRY-INIZCTEOSA-N 377.470 -0.626 30 10 GBEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1(C#N)CCCC1)C2 593432776 WSGUVNXZQKDVNV-UHFFFAOYSA-N 375.433 -0.258 30 10 GBEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 669336618 NOMONNNXACVZSX-YUTCNCBUSA-N 393.473 -0.102 30 10 GBEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1=O 735072781 HXUQJRIWOIWYJI-PBHICJAKSA-N 391.453 -0.094 30 10 GBEE C#C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)[C@H]1CCCO1 829213994 DOPJSODVJWZVGI-DDHJBXDOSA-N 396.387 -0.283 30 10 GBEE COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)NCC#N)c3)C[C@H]21 848953379 FNLLEVCLOBGVFT-WDNDVIMCSA-N 399.450 -0.472 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1)C1CCCC1 863764610 FNDTVBIMHUYTAJ-UHFFFAOYSA-N 375.473 -0.440 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)CC1 867427099 RXXJTOSZZJLLDR-UHFFFAOYSA-N 389.428 -0.278 30 10 GBEE C#CCN1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 928655814 ZKYVUPPVEQDLRZ-SFHVURJKSA-N 376.501 -0.087 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1(N)CCOCC1 1118930492 WDUHHOHNNARRON-ZDUSSCGKSA-N 387.444 -0.991 30 10 GBEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC1(N2CCOCC2)CCOCC1 1141948000 KZCQUROICHEPDG-ZCXUNETKSA-N 392.456 -0.100 30 10 GBEE C#CCN1CCC(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 1155873112 JQHDKBPMJVGIBV-UHFFFAOYSA-N 392.437 -0.544 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@]1(C(F)(F)F)CCCN1)[C@@H]1CCS(=O)(=O)C1 1262550694 ALOLBVHOBNPXTC-RISCZKNCSA-N 395.403 -0.564 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 1320338044 GYWBYCQANINXOY-LBPRGKRZSA-N 387.396 -0.626 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@H](O)CC(F)(F)C3)CC2)c1 1325943688 DCPAYDRLPBZRDM-CYBMUJFWSA-N 379.367 -0.170 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C 1329144945 ZPMMOPWLFNRGMS-IJLUTSLNSA-N 375.347 -0.095 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1507601247 OFPBTXDLLKVYDF-PXAZEXFGSA-N 394.501 -0.031 30 10 GBEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O 1539133597 ZUZHVCRUUNOYIS-UHFFFAOYSA-N 382.490 -0.201 30 10 GBEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1546158327 SLYOECRTIMXGBO-CYYNWABASA-N 397.453 -0.245 30 10 GBEE N#C[C@]12CN(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)C[C@H]1CS(=O)(=O)C2 1585660814 WPQYGXKLSMPQCQ-APNQJHFZSA-N 379.438 -0.442 30 10 GBEE CN1CCC(N(CCO)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1640275982 DNTSJQCKVNZICR-UHFFFAOYSA-N 380.470 -0.360 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCOCC1 1705573492 HTJIUJJJZUTAFJ-CQSZACIVSA-N 395.485 -0.497 30 10 GBEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740612444 SENUKRKVRSCSLG-QGZVFWFLSA-N 375.454 -0.117 30 10 GBEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740694356 HOILSSVYIYPQAH-SFHVURJKSA-N 393.513 -0.150 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740960235 NTGRALRGPALVEN-MGPQQGTHSA-N 393.444 -0.556 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1760515660 FMVLJEYSSFFVMG-RYUDHWBXSA-N 386.478 -0.584 30 10 GBEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 1772827740 TXAJGFKSTBRASA-CPNJWEJPSA-N 393.425 -0.010 30 10 GBEE Cn1c(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)cc(=O)n(C)c1=O 1857198736 OOBLXHOLOARPNB-ZIAGYGMSSA-N 399.451 -0.302 30 10 GBEE Cn1c(C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)cc(=O)n(C)c1=O 1857198839 PXYPZUFTCMPDNV-AWEZNQCLSA-N 387.440 -0.302 30 10 GBEE C#CCOCCOCCNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2197495112 VCRAFCHFGKJMDL-RDTXWAMCSA-N 386.445 -0.498 30 10 GBEE CC1(C)OB(c2csc(C(=O)NC(C(N)=O)C(N)=O)c2Cl)OC1(C)C 2267198009 SADNRTKNDXCHAS-UHFFFAOYSA-N 387.654 -0.230 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2267488973 VTMWKHBQGMQBJR-NWDGAFQWSA-N 387.288 -0.065 30 10 GBEE CC1(C)OB(c2cc(C(=O)NC3(C(N)=O)CCNCC3)ns2)OC1(C)C 2282010623 XHMOPYQEBRBJSH-UHFFFAOYSA-N 380.279 -0.220 30 10 GBEE C[C@H]1CNCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282310060 OQMUMVYNICBPMN-NSHDSACASA-N 385.299 -0.656 30 10 GBEE CO[C@H]1C[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282327937 PXBZPNIBQIZNND-XYPYZODXSA-N 386.283 -0.182 30 10 GBEE Cn1nc(C(=O)N[C@@H]2CCNC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282545623 IWSGKMMHWNEWHI-ZJUUUORDSA-N 384.673 -0.175 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CCS(=O)(=O)[C@H]4C3)[nH]n2)OC1(C)C 2282578312 QANIGWUENHADJW-PWSUYJOCSA-N 381.263 -0.032 30 10 GBEE C[C@@H]1CNCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282850809 TXNHMAGZKBKHFL-GFCCVEGCSA-N 384.311 -0.051 30 10 GBEE C[C@H]1CNCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853840 JYDUIYLMEVLGQE-NWDGAFQWSA-N 384.311 -0.004 30 10 GBEE Cc1cnc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)o1 2282868490 OAFJIBNTGLBUPA-UHFFFAOYSA-N 383.239 -0.111 30 10 GBEE 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CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 728762332 FHBPFHBUCRJEIM-OAHLLOKOSA-N 392.437 -0.369 30 10 GBEE C[C@@H](CC(=O)NCCc1nnnn1C)/N=C1/NS(=O)(=O)c2ccccc21 772184326 QZKGDJWRTPHHRA-JTQLQIEISA-N 377.430 -0.614 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(C(=O)O)CCCOC1 864193384 LLDJRCXBKFPNFH-INIZCTEOSA-N 381.410 -0.277 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)CC1 932986620 YUJDDLMQRNTKBL-NWDGAFQWSA-N 398.407 -0.251 30 10 GBEE CNC(=O)[C@@H](NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1176433301 UAQOANOHHXABNM-ZVZYQTTQSA-N 390.465 -0.540 30 10 GBEE C#CCN(C(=O)NCCNS(=O)(=O)Cc1ccon1)C1CCN(C)CC1 1229513020 AHGZEEMWCMGHLN-UHFFFAOYSA-N 383.474 -0.167 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](COC)c2nn[nH]n2)ccc1F 1303579188 ZJTFDANTHZAPFP-LLVKDONJSA-N 384.393 -0.079 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)n1 1330419489 QCOBPPVXXVPSLA-DNVCBOLYSA-N 376.457 -0.032 30 10 GBEE CC(C)[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1CCCS1(=O)=O 1334357884 IFOXRNBPTUKCHG-JNINTMOKSA-N 384.458 -0.311 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1347580716 WEZJBUOQMRTMBT-LPWJVIDDSA-N 376.417 -0.784 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCNC1=S 1472465562 HYFRCFNCGMUNMB-UHFFFAOYSA-N 395.510 -0.188 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC1CC1 1507654035 UUVOMQIUZGEHKT-HNNXBMFYSA-N 389.481 -0.221 30 10 GBEE C#CCC1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCOCC1 1584614491 YERAABSJZHURRU-CYBMUJFWSA-N 381.454 -0.159 30 10 GBEE Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597361338 FNIKBFADAOQZMF-NHYWBVRUSA-N 383.451 -0.347 30 10 GBEE N#Cc1ccc(N2C[C@H](C(=O)N3CC4(C3)NC(=O)NC4=O)CC2=O)cc1Cl 1607388038 YQBHCOZXNKWMSY-SNVBAGLBSA-N 387.783 -0.015 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC=CCO1 1611711519 PIUSUTDNTSZNBU-MELADBBJSA-N 396.473 -0.038 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](CO)[C@H](O)C3)C2=O)cc1 1638460999 MERAWPUKDGWNRF-FVQBIDKESA-N 386.408 -0.035 30 10 GBEE C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1CS(N)(=O)=O 1648011143 KONPFJFFRAHKPE-DOMZBBRYSA-N 399.494 -0.144 30 10 GBEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CC2CN(S(C)(=O)=O)C2)c1 1653686708 PNMYTQUAXGBNQW-UHFFFAOYSA-N 399.494 -0.241 30 10 GBEE CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O 1686076646 XWGUKNQRRKBINS-PMPSAXMXSA-N 376.457 -0.320 30 10 GBEE C#CCN1CCC(NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 2204063067 DAMCHYKYYVLRIS-BEFAXECRSA-N 381.473 -0.067 30 10 GBEE CC(C)(C)OC(=O)NCCOCCOCCNS(=O)(=O)N1CC(C#N)C1 2225566036 DOTGWVGWACMHKY-UHFFFAOYSA-N 392.478 -0.166 30 10 GBEE C#CC[C@H](CO)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249451358 UPQATSNYLBUWIM-HUUCEWRRSA-N 398.437 -0.242 30 10 GBEE CN1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(=O)N1 2267710830 BLYCVKHUERLADO-SECBINFHSA-N 387.292 -0.329 30 10 GBEE 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CCCC[C@H](CN)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282307981 LAHLVYPZVOUSRZ-LLVKDONJSA-N 387.315 -0.090 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@]3(CO)CCNC3)c2)OC1(C)C 2282338024 ORZFKPCHZPMIJW-KRWDZBQOSA-N 382.291 -0.012 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN[C@H]3CC[C@H]32)n1 2282504238 LYUNJXVXTPNLOU-QWHCGFSZSA-N 382.295 -0.156 30 10 GBEE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362346376 RBSRLENZWWQMAR-QWRGUYRKSA-N 383.279 -0.118 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)CC1 532027751 MXDCMMZCWMHYIX-ZWKOTPCHSA-N 393.532 -0.006 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 588124668 GDVYTJSWADSNCG-UHFFFAOYSA-N 381.440 -0.294 30 10 GBEE N#Cc1sccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 593529130 WPONYXOKENUJKV-VIFPVBQESA-N 377.469 -0.409 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(N)(=O)=O)cn2C)n1 788819766 JWQHCFCRMPGSFZ-UHFFFAOYSA-N 379.442 -0.209 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1cc[nH]n1 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378.497 -0.697 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc(C#N)cc1OC 1470310762 CGWANCHLXMRJNY-AAEUAGOBSA-N 386.364 -0.125 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)nnn3C)CC1 1476791410 NKMCPAMOTCALKS-UHFFFAOYSA-N 377.430 -0.415 30 10 GBEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1626655430 FPOIORFYSDCJBD-DCGLDWPTSA-N 383.470 -0.343 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 1632623988 LPOBDHLDFUIKKA-OAHLLOKOSA-N 396.488 -0.454 30 10 GBEE N#Cc1ccncc1N1CCN(C(=O)NCc2nnc3n2CCNC3=O)CC1 1675617729 LNVUWPCUAOVGBY-UHFFFAOYSA-N 381.400 -0.680 30 10 GBEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNS(=O)(=O)CC 1689943794 CSVNDKXIQJFWNA-UHFFFAOYSA-N 391.457 -0.066 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)CCO1 1712884946 WEDSXAUIARIBEP-LSDHHAIUSA-N 390.444 -0.240 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1719916682 SMRUVHSHDYXARZ-YJNKXOJESA-N 377.445 -0.189 30 10 GBEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)NS(C)(=O)=O 1722704166 PJOZEXHQNHCYAP-JTQLQIEISA-N 382.450 -0.332 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc2nc[nH]c2n1 1736560326 HAUJBXQRQPDXTO-DFBGVHRSSA-N 380.408 -0.041 30 10 GBEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1747608168 RXSDSWUQTDSSHV-QWHCGFSZSA-N 384.462 -0.250 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)OC1(C)C 2267469454 VVCYSKHYDBVEKU-QWRGUYRKSA-N 390.292 -0.691 30 10 GBEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CCS(=O)(=O)N2)OC1(C)C 2282191821 YTZNJBAUDYQFMS-SNVBAGLBSA-N 382.251 -0.803 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@]3(CO)C[C@H](O)C3)c2)OC1(C)C 2282293325 IGCBQNMGAOFEKG-DRQUAOQDSA-N 384.263 -0.455 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN2CC[C@H]1C2 2282316232 ZKAQRCLDCMULDL-NSHDSACASA-N 383.283 -0.807 30 10 GBEE C[C@@H]1NCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H]1C 2282317193 NMLAECDMTJNXSB-QWRGUYRKSA-N 385.299 -0.515 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H]3CONC3=O)c2)OC1(C)C 2282506638 VMHIZRBXDPJHIK-CYBMUJFWSA-N 382.247 -0.165 30 10 GBEE C[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282837322 DBCWGMPESHJOGF-GHMZBOCLSA-N 386.283 -0.494 30 10 GBEE C[C@@H]1C[C@@H](CN)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282841613 WUGSLJQEAQXXCR-MNOVXSKESA-N 385.299 -0.528 30 10 GBEE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856790 YFIIWGFJCBPQCY-SNVBAGLBSA-N 386.283 -0.478 30 10 GBEE CN(Cc1cocn1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282869176 YOUACBUUHRQJBZ-UHFFFAOYSA-N 383.239 -0.077 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@H]3CO)n1 2359282941 SZRVKHZJZAHVMD-GVXVVHGQSA-N 383.279 -0.279 30 10 GBEE C#CCNC(=O)CN[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2376729398 RLELBNUFQFLQKL-ROUUACIJSA-N 381.429 -0.051 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)n3c(C)cccc3n2)c1=O 29887218 QUTFOWYGEMTHQX-UHFFFAOYSA-N 381.392 -0.092 30 10 GBEE C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@]12[C@@H](O)O[C@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@H]2O 257390258 BTWFVPFIPDEZTE-SVDQMYIDSA-N 380.437 -0.306 30 10 GBEE biogenic C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 363268493 PMIWTIXGNDOWFS-MDZLAQPJSA-N 376.438 -0.149 30 10 GBEE C#CCOCCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 372830998 LWUGBJADSFCXQU-MRXNPFEDSA-N 387.484 -0.011 30 10 GBEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)n1 595215419 MUNSDNDLGJXYNP-OAHLLOKOSA-N 388.472 0.506 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)C1=O 623001398 ARUFCKDQAIHZIV-ZDUSSCGKSA-N 391.405 -0.251 30 10 GBEE C#CCN(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 774197268 WRYWRFOPESEXHA-OLZOCXBDSA-N 377.488 -0.758 30 10 GBEE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCN(O)C1=O 820179163 GSBIWEUMICCEBH-SNVBAGLBSA-N 397.331 -0.030 30 10 GBEE C#CCN(C(=O)CN1CCCC1=O)C1CCN(C(=O)CN2CCCC2=O)CC1 831550182 BJRDMKHSUAYOHV-UHFFFAOYSA-N 388.468 -0.316 30 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10 GBEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2)cc1 594532981 HZFRFFNTLDOWKV-RBUKOAKNSA-N 397.479 -0.520 30 10 GBEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCN2CCCS2(=O)=O)c1=O 600606312 RBXZKXRZZQNYEB-UHFFFAOYSA-N 398.441 -0.741 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC(CC)(N(C)C)CC2)CC1 632724770 ROPJFTQAKFYDBY-UHFFFAOYSA-N 393.532 -0.234 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 666973063 OESISYPTGUWAPL-KRWDZBQOSA-N 379.505 -0.131 30 10 GBEE Cn1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(=O)n(C)c1=O 848099998 GTTNSUPZJCXCJV-UHFFFAOYSA-N 391.409 -0.849 30 10 GBEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)C1(n2cnnn2)CCOCC1 850969842 JYUFEZUZBFYCLT-UHFFFAOYSA-N 380.361 -0.305 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 1117874100 PYXICWVHDURHOT-HOTGVXAUSA-N 378.473 -0.445 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1261766687 NAXRBVIATAKSHD-INIZCTEOSA-N 390.465 -0.124 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CC)CC1 1286473337 ZWQSGVHXFUALKF-YOEHRIQHSA-N 398.533 -0.196 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 1290163054 FHAZYUYFDSCYSO-HZMVEIRTSA-N 392.500 -0.247 30 10 GBEE CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1298004950 GXPBMYQEVUTZKL-IAQYHMDHSA-N 384.437 -0.290 30 10 GBEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1302095150 DCUATBZPPHQHSR-VKJFTORMSA-N 394.476 -0.203 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3ccccn3)=NO2)CC1 1302924657 QIZYPBNAEBSIMI-OAHLLOKOSA-N 377.426 -0.814 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1321502439 GZLBTYNTASJFDM-CQSZACIVSA-N 378.454 -0.587 30 10 GBEE N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1 1326164791 GGXOUNIFPBKDNI-MEDUHNTESA-N 381.385 -0.198 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCO[C@@H]1CC1(F)F 1329706058 YFHMEEFORFVABB-WCQYABFASA-N 394.382 -0.074 30 10 GBEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1359282161 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30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnn1 1757724003 REQFPTCRXAOQFS-QPSCCSFWSA-N 375.433 -0.608 30 10 GBEE NS(=O)(=O)CCN1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772785736 IBTVUOVCZWOASK-UHFFFAOYSA-N 381.410 -0.259 30 10 GBEE CC1(C)OB(c2cscc2C(=O)NCCNS(N)(=O)=O)OC1(C)C 2255538071 FRHLOEPVCUWEMK-UHFFFAOYSA-N 375.281 -0.430 30 10 GBEE CO[C@@H](CO)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2277914426 AMWARFXYFVSFTD-SNVBAGLBSA-N 375.256 -0.995 30 10 GBEE C[C@H]1CS(=O)(=O)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282048942 RVYYZJFKENJQEF-NSHDSACASA-N 383.279 -0.022 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(CCCO)C1 2282323597 DHCPTBDEEJOKKV-UHFFFAOYSA-N 386.283 -0.493 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCO1 2282327077 CGSINGKQUSQAHA-NSHDSACASA-N 386.283 -0.086 30 10 GBEE CCCNC(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331405 MXVAMURCDVZNIL-UHFFFAOYSA-N 386.283 -0.476 30 10 GBEE COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282339157 WHVSXRYIMNKACG-ZDUSSCGKSA-N 385.247 -0.202 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1[C@@H]2CNC[C@@H]12 2282349977 GSKQAJXMGYYWFF-GHMZBOCLSA-N 382.295 -0.537 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@]1(C)CO 2282421706 RLUGVHKJUPSQMT-HNNXBMFYSA-N 386.283 -0.350 30 10 GBEE CNC(=O)C[C@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282510199 VRNCLVJDECPVHJ-JTQLQIEISA-N 386.283 -0.478 30 10 GBEE Cc1nc(S(=O)(=O)N2CC(C)(CN)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510511 ZISCNVKOYCLWGP-UHFFFAOYSA-N 384.311 -0.003 30 10 GBEE Cc1sc(C(=O)NC(C(N)=O)C(N)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282636519 NLXQGFYWGIZOIA-UHFFFAOYSA-N 381.263 -0.267 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)C2(CC2)C1 2282857525 JKWBWBMHGHINFK-LLVKDONJSA-N 383.279 -0.135 30 10 GBEE C#CCOCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282859502 NEXKQJBDXBUUHR-UHFFFAOYSA-N 383.279 -0.010 30 10 GBEE C[C@@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](O)C(=O)O 2284396499 VTMDLJPPRCOSNF-BXKDBHETSA-N 386.235 -0.507 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCSCCO)n1 2335628980 ZTZMSXSXAMENHU-UHFFFAOYSA-N 391.324 -0.277 30 10 GBEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2342065851 FYOPVRHWMZVPOB-IIYDPXPESA-N 388.486 -0.190 30 10 GBEE C#CCN1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 125548860 NSBDMVIZDWESQH-UHFFFAOYSA-N 381.230 -0.136 30 10 GBEE CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 288509699 ZUGBRSAOJCDZHJ-OAHLLOKOSA-N 384.440 -0.271 30 10 GBEE COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 297793291 KRQGOONYXUXMIO-GDBMZVCRSA-N 387.440 -0.136 30 10 GBEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@](O)(C(F)F)C1 349452791 ODOLLSIEMWFOTC-ZDUSSCGKSA-N 395.409 -0.121 30 10 GBEE COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349463518 ZBKRMFJYOLPHCO-NWDGAFQWSA-N 389.455 -0.741 30 10 GBEE 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376.413 -0.833 30 10 GBEE N#CCn1c(CN2CCC(NS(N)(=O)=O)CC2)nc2ccccc2c1=O 1329356298 BPYHRGRBTIHOFB-UHFFFAOYSA-N 376.442 -0.322 30 10 GBEE C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[C@H]1C(N)=O 1479573565 ZENHNZMUDNBTDV-RQJABVFESA-N 379.461 -0.664 30 10 GBEE C=CCNC(=O)NC(=O)CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1480653389 BIDMTSCFBKAKFZ-UZVBGSJOSA-N 376.457 -0.140 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)CCO1 1521128875 HBDKTWFPTGTUPR-ZIAGYGMSSA-N 390.444 -0.207 30 10 GBEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCCS1(=O)=O 1585660412 MFPAAXUSXHBCQB-GZBFAFLISA-N 389.499 -0.557 30 10 GBEE CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCOCC1 1614853812 JBWWASWRJWGKDR-HZSPNIEDSA-N 376.454 -0.016 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(nc2O)CCCC3)CC1 1636475683 SBCUCNDLBSLSAY-UHFFFAOYSA-N 378.454 -0.109 30 10 GBEE C#CCN(C(=O)Nc1nc(CS(C)(=O)=O)no1)[C@@H]1CCS(=O)(=O)C1 1670251968 VBZQVNXQYGPAON-SECBINFHSA-N 376.416 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Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cn1 586863768 AGFUYMQQISYNNI-HNNXBMFYSA-N 384.371 -0.031 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)C(=O)N2CCCC2)C1=O 625570144 JHPHLDDSGORCTD-AWEZNQCLSA-N 378.473 -0.004 30 10 GBEE N#Cc1csc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 811455268 ZBWXCIMZLTWUKR-LBPRGKRZSA-N 390.512 -0.351 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCC2CCOCC2)CC1 872515223 JABAHTJGQULIDY-UHFFFAOYSA-N 393.531 -0.392 30 10 GBEE CN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1C[C@@H](C(N)=O)C1 1118899108 YJBGWEWMKXMAJC-IXDOHACOSA-N 383.452 -0.055 30 10 GBEE C#CCN(C(=O)C(=O)Nc1c(C(=O)OCC)cnn1C)[C@H]1CCS(=O)(=O)C1 1320608359 OEKNCWOMAAWYBX-NSHDSACASA-N 396.425 -0.816 30 10 GBEE CCCN1CCC(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1321997499 PYIVJMLTUDNAOF-WUKNDPDISA-N 391.472 -0.133 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 1328260358 NUZIJDAZCQNLBD-QRVBRYPASA-N 383.448 -0.041 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@H](c4cccnc4)C3)C2)c(=O)nc1O 1331447651 OAXSFUKNFVDUEZ-ZDUSSCGKSA-N 394.391 -0.385 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCNC[C@H]1c1ccccc1OC 1345186939 RXSNILPFSVVDPI-HNNXBMFYSA-N 395.481 -0.115 30 10 GBEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359286810 SYBWQZGDPKCYAA-NWDGAFQWSA-N 385.432 -0.053 30 10 GBEE C=CCOC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)OC 1467516130 PJSZDVJXZIXTEA-OLZOCXBDSA-N 399.444 -0.076 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1Cc2cccnc2NC1=O 1471654250 FROBFJPPDFELPT-LBPRGKRZSA-N 385.405 -0.200 30 10 GBEE CCOC(=O)N1CCN(C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1473823785 NWWMKRDAIVYFGQ-ZQIUZPCESA-N 398.485 -0.454 30 10 GBEE CN(C)S(=O)(=O)NCCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1478683791 QPWDFOQULLFELR-AWEZNQCLSA-N 395.489 -0.065 30 10 GBEE CC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCN(CC(=O)NCC#N)CC1 1484139675 VPZCQWDKXWTPLR-YQQAZPJKSA-N 378.473 -0.104 30 10 GBEE C#C[C@@H](CO)NC(=O)c1ccc(I)cc1-n1cnnn1 1569721446 IGWWYFGKCUXPDM-VIFPVBQESA-N 383.149 -0.009 30 10 GBEE C#CCN(C(=O)Nc1ccn(CCS(C)(=O)=O)n1)[C@@H]1CCS(=O)(=O)C1 1623112519 WCADRRWTMVZPPH-GFCCVEGCSA-N 388.471 -0.418 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1702906472 ZUHOARIXIHAQJL-PMPSAXMXSA-N 382.420 -0.213 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCOCCS(C)(=O)=O 1722383638 PTWLHKLLNQJWHO-OAHLLOKOSA-N 380.470 -0.084 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1740950866 KPDYAFKXMYVZEO-GOSISDBHSA-N 392.460 -0.286 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCOCC1 1748843791 IZOCGVBFNIPKAR-CQSZACIVSA-N 384.440 -0.416 30 10 GBEE C=CCN1C[C@H](C(=O)NCCN2CCN(S(=O)(=O)C3CC3)CC2)CC1=O 1850203680 KWKRZYLSJOBCAT-CQSZACIVSA-N 384.502 -0.753 30 10 GBEE C#CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)O 2059687498 NXHRPQDDXGGRAK-QWRGUYRKSA-N 376.431 -0.093 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)OC1(C)C 2282032511 HCPMTNMOMYEOAB-MGPLVRAMSA-N 384.263 -0.628 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CN2CC[C@H]1C2 2282290470 SJSGOUSXNHXEOY-QWRGUYRKSA-N 383.283 -0.903 30 10 GBEE CO[C@H]1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1N 2282299493 YLMQYNLSVLJWNC-KGLIPLIRSA-N 383.279 -0.273 30 10 GBEE C[C@H]1NCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]1C 2282317191 NMLAECDMTJNXSB-GHMZBOCLSA-N 385.299 -0.515 30 10 GBEE C[C@H]1CS(=O)(=O)CCN1C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282555248 QGGMTZDCUQSECS-NSHDSACASA-N 383.279 -0.022 30 10 GBEE Cc1scc(C(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2369542027 QSFBLAVSXVBZKY-ZMJPVWNMSA-N 383.275 -0.059 30 10 GBEE CC1(C)OB(c2cnc(S(=O)(=O)[C@@H]3CCCN(CCN)C3)nc2)OC1(C)C 204879913 VHYFCJHJFPOZCF-CQSZACIVSA-N 396.322 -0.027 30 10 GBEE C/N=C(/NCCN1C(=O)CNC1=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 261933676 BXAVAPKDFHFCGS-AWEZNQCLSA-N 378.477 -0.116 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC(=O)N1C 566478898 KMAJHMZNSKWOMA-LLVKDONJSA-N 386.455 -0.660 30 10 GBEE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 592338881 FLMMSHCCPDRGAW-SWLSCSKDSA-N 383.408 -0.578 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4COC[C@]4(C(=O)O)C3)CC2)n1 595976477 QMZHRNYYIIGOMI-BFUOFWGJSA-N 399.407 -0.839 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 645070508 OZUWMGCWKZPEDW-DHMWGJHJSA-N 375.429 -0.263 30 10 GBEE COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccnn1C 843711246 HADLWOOOXUQIRM-CQSZACIVSA-N 391.409 -0.511 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(N(C)C)C2)c1 848953599 KVJBVIGWJXZEEI-UHFFFAOYSA-N 396.494 -0.231 30 10 GBEE C[S@](=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 848954287 CHDCTCRTBKITOJ-QFIPXVFZSA-N 391.496 -0.322 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)NC(C)C 854019973 FQUQNAPUMJFYMO-UHFFFAOYSA-N 376.479 -0.195 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 854834007 HRQJPPDINRUHHA-ZDUSSCGKSA-N 394.519 -0.426 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC2)CO[C@@H](CN)C3)C1=O 926357953 SVVKMHRTNVKKFP-CABCVRRESA-N 378.473 -0.412 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1261358267 PTRXGEWBBZDJNA-HZPDHXFCSA-N 376.457 -0.998 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286770994 QQILEDNXTRJVNS-NWDGAFQWSA-N 383.478 -0.370 30 10 GBEE Cc1noc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1328030190 MURBNJFXUCFTII-UHFFFAOYSA-N 386.416 -0.701 30 10 GBEE CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1328814693 BCGAOWOUMOHMAN-BSZDNMLHSA-N 391.472 -0.134 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)C1 1330416473 AGSMQUADXQMKPU-ZDUSSCGKSA-N 385.428 -0.176 30 10 GBEE C[C@@H](CO)C1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1346360810 CPOYJVGAGQESTO-VVLLMFOMSA-N 378.429 -0.504 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359291365 NUYXAPLMJVQWQH-GOSISDBHSA-N 391.476 -0.319 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCn2cnccc2=O)[C@H](OC)C1 1489542867 XXSSATZUZKCYOR-LVQVYYBASA-N 390.440 -0.434 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540868817 SSPQOPJQZVPDMU-OCCSQVGLSA-N 384.444 -0.304 30 10 GBEE CCc1nn(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c(=O)c(C#N)c1CC 1613538131 DWIBEYWABCINIC-UHFFFAOYSA-N 395.485 -0.220 30 10 GBEE N#C[C@]12CN(C(=O)COCC(=O)NCc3cccnc3)C[C@H]1CS(=O)(=O)C2 1653072953 NYXMOZFVMUPEOG-WMLDXEAASA-N 392.437 -0.889 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 1705887216 UNFBNZFDZMASKF-LLVKDONJSA-N 392.507 -0.844 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cncn1 1706069752 GZUYFDYJCCAHSA-NEPJUHHUSA-N 381.466 -0.224 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C 1722353404 VRRISODOOUACCH-CYBMUJFWSA-N 398.489 -0.795 30 10 GBEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnn(C)n1 1722387879 PYDBYUBFJIAEHW-UHFFFAOYSA-N 390.411 -0.040 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)N2CCOCC2)CC1 1722442485 YAZNSSMGYJJMGT-MRXNPFEDSA-N 388.472 -0.256 30 10 GBEE N#C[C@@H]1CN(c2nnc(C3CC3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1750385861 CDKLNYUYRSDDBE-CYBMUJFWSA-N 381.458 -0.176 30 10 GBEE CON(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1771319748 NQRLXHXTUAWNQB-NXVVXOECSA-N 389.416 -0.076 30 10 GBEE C=CCn1c(C(=O)NCCOCCO)cc2c(N(CCO)CCO)ncnc21 1873594937 IVRZRCVVUGJDMW-UHFFFAOYSA-N 393.444 -0.853 30 10 GBEE COCCOCCOCC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2236037900 LULTZWIIZDZDEF-UHFFFAOYSA-N 387.267 -0.123 30 10 GBEE CC1(C)OB(c2cccnc2N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2241103756 DUPBLFKRKVPDHH-KGLIPLIRSA-N 379.291 -0.044 30 10 GBEE COC[C@@H]1C=CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282292270 SGZJEQUPOZBOEQ-NSHDSACASA-N 384.267 -0.310 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2NCC[C@H]21 2282329848 SCBUXDIKRSFJFZ-KGYLQXTDSA-N 382.295 -0.252 30 10 GBEE COC(=O)NCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282338068 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N#CC1(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCSCC1 929888984 FKJUOMFIXWCFDR-UHFFFAOYSA-N 388.515 -0.255 30 10 GBEE CN1C[C@@H](C(=O)NCCn2cnc(C#N)n2)N(C(=O)OC(C)(C)C)CC1=O 1128720300 NZRHDCMAAJEWGK-NSHDSACASA-N 377.405 -0.656 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](CCO)[C@@H](CO)C3)CC2)o1 1176965519 NXLMHDRIMIUHSK-HUUCEWRRSA-N 377.445 -0.574 30 10 GBEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C#N)c(SC)nc1O 1251782135 PUHUSSLUHLBGKG-LLVKDONJSA-N 377.426 -0.152 30 10 GBEE N#Cc1ccnc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1259858063 OTHCWRWRVABUCW-CQSZACIVSA-N 391.453 -0.986 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 1261397157 TWXQYWITJPQXSO-MOPGFXCFSA-N 385.464 -0.093 30 10 GBEE CC(C)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1292221076 DKOQAVXKGKODGA-RTXFEEFZSA-N 379.442 -0.422 30 10 GBEE CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1299310273 AEZDADQTYHEUTG-LRDDRELGSA-N 395.489 -0.092 30 10 GBEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)CC 1300268732 VMLQSXPVWNZCOV-ZDUSSCGKSA-N 382.490 -0.089 30 10 GBEE C=CC[C@@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 1328923720 KMXHODXXNYHUKB-MRXNPFEDSA-N 378.473 -0.586 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[C@](OC)(C(=O)OC)C2)n1 1331418659 ZHMNMPUEOFPOFO-GOSISDBHSA-N 376.413 -0.345 30 10 GBEE C#CCOCCNC(=O)C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1334768446 FXWPWBLBYYDAKD-BXUZGUMPSA-N 396.387 -0.280 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)CC1 1338079694 SAXYWULUQHSHRO-HZPDHXFCSA-N 382.457 -0.764 30 10 GBEE C=CCO[C@H]1CCN(c2nnc(-c3cn(C)c(=O)n(C)c3=O)n2CCOC)C1 1342691122 PWGMZLNGJAHLRA-ZDUSSCGKSA-N 390.444 -0.230 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690658906 DDBOUGPQQOGTMU-NWDGAFQWSA-N 392.416 -0.167 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COC)C1 1690658979 FZFLSYCKNDJELH-ZDUSSCGKSA-N 380.449 -0.430 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CC(N)=O)C1 1690669561 ISWGDUYEIKLCEF-QWHCGFSZSA-N 389.460 -0.377 30 10 GBEE C#CCC1(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H](OC)C2)CCOCC1 1719248980 YWJAHFHFYSOEIB-LXTVHRRPSA-N 377.441 -0.730 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(S(C)(=O)=O)CC3)C2=O)CC1=O 1857363675 WGJCQLRPGHHIBD-DZGCQCFKSA-N 397.497 -0.343 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)OC1(C)C 2281979517 OFCPHVPRFKWEIW-CMPLNLGQSA-N 381.263 -0.032 30 10 GBEE Cn1cc(C(=O)NC[C@@H]2CCS(=O)(=O)N2)nc1B1OC(C)(C)C(C)(C)O1 2282034582 KCJIJKWTFQDNCL-JTQLQIEISA-N 384.267 -0.859 30 10 GBEE C[C@@H](N)[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282325243 BMPBEEVYZATTRH-MNOVXSKESA-N 385.299 -0.528 30 10 GBEE CC1(C(N)=O)CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282857970 PQLWWBRKYUGNQI-UHFFFAOYSA-N 381.263 -0.123 30 10 GBEE C[C@H]1CCN[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282865471 URWHTHPVRFNVLZ-WDEREUQCSA-N 385.299 -0.609 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CC(=O)NC[C@@H]2C(=O)O)OC1(C)C 2284492261 MCPFTNUWHSLTPJ-SECBINFHSA-N 381.219 -0.533 30 10 GBEE COC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2319398388 OGZUTJKYNGSDET-WBMJQRKESA-N 376.475 -0.204 30 10 GBEE CO[C@@H]1COC[C@H]1n1cc(C/N=C(/N)N2CCN(c3ncccn3)CC2)nn1 262260158 DMRJPPSUZJGQIW-HUUCEWRRSA-N 387.448 -0.709 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cn3ccccc3n2)CC1 550069338 MMOSCYHTWWDVNJ-UHFFFAOYSA-N 384.440 -0.603 30 10 GBEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 553727362 ZLOTVWUYFSTETB-OAHLLOKOSA-N 393.469 -0.325 30 10 GBEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 563379387 RONCMNQCXNZBMF-UHFFFAOYSA-N 380.426 -0.159 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)OCC)CC1 591588356 BBYDVCFGMILFNS-UHFFFAOYSA-N 385.446 -0.805 30 10 GBEE COC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608920706 ZOXQBCFKKKBVSP-UHFFFAOYSA-N 380.426 -0.846 30 10 GBEE COC(=O)CN(CC#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 609992071 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30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCCCC(=O)OC)CC1 1311479397 XMKCPNUFBLFKQG-UHFFFAOYSA-N 388.490 -0.095 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1325949375 UBXMGUOSISPDLG-ZFWWWQNUSA-N 392.460 -0.793 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)C1 1330416472 AGSMQUADXQMKPU-CYBMUJFWSA-N 385.428 -0.176 30 10 GBEE C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1334964121 ZBZYIILUROKDTJ-INIZCTEOSA-N 392.481 -0.048 30 10 GBEE C=C1CCC(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1335113908 PYAZCPJBFZLUQF-UHFFFAOYSA-N 392.500 -0.148 30 10 GBEE C=C(C)Cn1c([C@H]2C[C@H](O)CN2C)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1343764888 VHLPJBIFTHHEMM-XQLPTFJDSA-N 376.461 -0.315 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 1346362343 NHOLTTNFVDQOAY-GJZGRUSLSA-N 379.438 -0.257 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)CC 1507518003 SLOCHQNMKWUHGE-VXGBXAGGSA-N 391.519 -0.219 30 10 GBEE N#Cc1cccc(C2(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CCOCC2)c1 1532558606 OTSZWGSGMQUWGY-AWEZNQCLSA-N 377.422 -0.407 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)C1=O 1537350108 SEHWVSXLOQADQF-QGZVFWFLSA-N 375.385 -0.481 30 10 GBEE C=C(CN(C)C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1544078038 BLIABHKSRZVSLR-UHFFFAOYSA-N 381.502 -0.233 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(CCn3cccn3)n2)CC1 1644285243 MAADKPBMOQWUCB-UHFFFAOYSA-N 391.457 -0.995 30 10 GBEE COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1697781714 NKTFALYVJNRFME-XQQFMLRXSA-N 387.437 -0.107 30 10 GBEE Cc1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726409848 LXPBFDPINIIKQH-VLUKHXRESA-N 385.428 -0.076 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1735706113 FGZDKQWBRUHQPZ-AYDFFVQHSA-N 385.486 -0.424 30 10 GBEE C#CCN(c1nnc(COCC)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1740628943 WSAOVROIZIBTIR-AWEZNQCLSA-N 397.501 -0.080 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760520996 GYNZDPCRRNQUSE-RYUDHWBXSA-N 389.416 -0.828 30 10 GBEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CN3CCOC3=O)C2=O)C1 1857108728 ZZECHAIXNKVXBV-CQSZACIVSA-N 385.380 -0.404 30 10 GBEE C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541203 WUVAIPYMYVVMMB-UHFFFAOYSA-N 390.444 -0.135 30 10 GBEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNS(N)(=O)=O)c1 2282125849 BYCDVWCMOXRZLY-UHFFFAOYSA-N 383.279 -0.183 30 10 GBEE Cc1cc(C(=O)NC[C@@H]2NC[C@@H](O)[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282128491 LVJNUHTYCUAGEI-DMDPSCGWSA-N 382.291 -0.221 30 10 GBEE CN(C)CCCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282290697 AMQYBYYTWHLWOL-UHFFFAOYSA-N 387.315 -0.266 30 10 GBEE CN1CC[C@@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282328199 UIIXDRCHJFJMMA-LLVKDONJSA-N 385.299 -0.561 30 10 GBEE CO[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1N 2282341314 QJPHUZKWBSHJOK-NWDGAFQWSA-N 386.283 -0.934 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H](F)C1CNC1 2282856503 UCILUZWJHDDLKY-LBPRGKRZSA-N 388.274 -0.445 30 10 GBEE COC(=O)CNC(=O)CNC(=O)CNC(=O)C(F)(F)C(F)(F)C(F)(F)F 32182398 IVISZCSWVJAMMC-UHFFFAOYSA-N 399.219 -0.659 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 425569235 FNEXHCSAIQWUHO-GJZGRUSLSA-N 380.445 -0.710 30 10 GBEE CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 459883561 GYIYKKWYYTWBAN-GFCCVEGCSA-N 385.346 -0.017 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 512584762 YRLWGJQSSZZIIV-UHFFFAOYSA-N 388.424 -0.409 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 593457502 YMGGWCPIBZIWKK-OKILXGFUSA-N 391.453 -0.162 30 10 GBEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 837850011 LXABPKKBWVSOFK-CQSZACIVSA-N 399.476 -0.372 30 10 GBEE CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn3c2CCC3)c1=O 853451477 KKHWPJGXNYXDFP-UHFFFAOYSA-N 399.476 -0.566 30 10 GBEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN2CCCN1CC2)c1cc[nH]n1 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IADYTNKTDVWOGQ-JKSUJKDBSA-N 387.440 -0.030 30 10 GBEE COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)n1 1335492513 VCPCRZGWPLOCQH-OAHLLOKOSA-N 399.455 -0.667 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1336612917 KRIMUWHKOQULOC-OAHLLOKOSA-N 385.486 -0.489 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccc(C#C)cc2)CC1 1355781828 WLGZKBZMIJPSBR-UHFFFAOYSA-N 385.453 -0.708 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)NCc3cn(C)c(=O)nc3O)CC2)c1C#N 1471626058 QNCABMKUNRERFH-UHFFFAOYSA-N 386.416 -0.569 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)C(=O)COC 1522218104 YROAFDSMIPCVBO-OWYFMNJBSA-N 379.457 -0.070 30 10 GBEE CCc1nnc(N2CCS(=O)(=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546557408 PEQFVSSHBCFIMI-PFONDFGASA-N 394.457 -0.398 30 10 GBEE COCC#CCN1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC2)C1 1570402669 NCMSENLWUCYBEQ-YTQUADARSA-N 377.485 -0.484 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2ccc(O)nc2=O)C1 1573183340 YWZNJKPESQIIKP-YJNKXOJESA-N 390.440 -0.059 30 10 GBEE N#Cc1ncn(CC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)n1 1603400963 IFJKJWKKPIIZNA-VIFPVBQESA-N 376.174 -0.013 30 10 GBEE CNC(=O)CN(CC(=O)NC)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1644066571 HAPOGXKCGZYFON-UHFFFAOYSA-N 384.389 -0.943 30 10 GBEE O=C1CC2(CCC2)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1 1644166982 DOEQEOPQKMCBOZ-UHFFFAOYSA-N 376.438 -0.004 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Cn3ccnn3)c2)CC1 1644284707 CSNQLOANQHJOAY-UHFFFAOYSA-N 388.453 -0.448 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc2nn[nH]c2c1 1686158745 HXPNAHINIXWIBR-WQVCFCJDSA-N 380.408 -0.041 30 10 GBEE C=CCNC(=O)Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OCC)CCOC1 1722704877 YQHXBPBVIPLDMV-SFHVURJKSA-N 392.460 -0.441 30 10 GBEE C#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1724659251 VCOXWRKKSSOAOM-DOEOUOAPSA-N 375.469 -0.147 30 10 GBEE CS(=O)(=O)OCCCCOS(=O)(=O)CCCCOS(C)(=O)=O 1848438420 IECKSXDVYKYMJN-UHFFFAOYSA-N 382.478 -0.154 30 10 GBEE Cn1cc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)nn1 1857071181 FHMOJDQTBDLFID-OAHLLOKOSA-N 380.412 -0.355 30 10 GBEE C#C[C@@]1(O)CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 1890720947 HUIBCVYAVXISSH-SUMWQHHRSA-N 386.470 -0.089 30 10 GBEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H](CS)C(=O)O)CCS(=O)(=O)C1 2009989362 JELCWXIBVLHPCV-SDBXPKJASA-N 382.460 -0.432 30 10 GBEE CN(C)CC#CCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249429200 UKTVSYIMESFCRZ-HNNXBMFYSA-N 397.453 -0.150 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H](O)C(F)F 2267711644 OAEZKRKKQFTYGV-VIFPVBQESA-N 381.210 -0.376 30 10 GBEE C[C@@H]1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1(=O)=O 2282051882 WYYKQKPNEPXCSL-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](C(N)=O)C3CC3)c2)OC1(C)C 2282331621 PRLGWBVYZWRUEN-CYBMUJFWSA-N 381.263 -0.077 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCN[C@H]2CC[C@H]21 2282418124 MIEVRDGVEDZGNB-WDEREUQCSA-N 383.283 -0.761 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCO[C@H](CN)C1 2282852333 NVSDFVFPPOVXTP-LLVKDONJSA-N 386.283 -0.933 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1COCCOC1 2282855852 KFGMBNXBWGSISC-UHFFFAOYSA-N 387.267 -0.587 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3C[C@H](O)C[C@H]3O)c2)OC1(C)C 2282861502 OVUREFBXGCROOB-IACUBPJLSA-N 384.263 -0.457 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](C1)[C@@H]2O 2286229958 VBGHQABTTYTRRV-URLYPYJESA-N 384.267 -0.884 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CC[C@H]1[C@H]2N 2359273502 BEUJESPHMOOMLA-DRZSPHRISA-N 382.295 -0.171 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3CS(=O)(=O)[C@@H]3C2)n1 2361653537 JYYUPOVSKUFZCQ-CMPLNLGQSA-N 381.263 -0.412 30 10 GBEE C#CCNC(=O)CN[C@]1(C(=O)O)CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2379442787 NBICPJJVCDYDIA-ROUUACIJSA-N 381.429 -0.051 30 10 GBEE CC[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NCCN1CCOCC1 467270237 XYHROINBSBJFEC-SQWLQELKSA-N 391.476 -0.310 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 592152897 GLRNLHQAWWHQNY-AEFFLSMTSA-N 398.529 -0.432 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1 596781754 WIDGKBKBTZBBEJ-UHFFFAOYSA-N 399.517 -0.667 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 604183344 JKEAVOWMMQOJSD-CQSZACIVSA-N 387.506 -0.960 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)C1=O 652472607 ZBNNLJIKJYLWJG-AWEZNQCLSA-N 386.456 -0.182 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]23C[C@H]2COC32CCC2)CC1 898674301 IDPGCNJQJPPQHE-GOEBONIOSA-N 382.486 -0.260 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CCC[C@H](CCF)C3)C2)c(=O)nc1O 1118892916 QQNRPSSPNKQCSL-LLVKDONJSA-N 377.376 -0.198 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N2CCC(CO[C@@H]3CCNC3)CC2)nn1 1118928278 KTCMROURFLOOFL-MRXNPFEDSA-N 376.461 -0.303 30 10 GBEE C=CCn1c(N2CCN(c3nccnn3)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1121608663 VQHPOJFYKFKAOO-KSSFIOAISA-N 385.476 -0.113 30 10 GBEE C=CCn1cc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)nn1 1142659129 LNZFFVZEPRPYJC-GWCFXTLKSA-N 385.471 -0.130 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1299891136 KQAMWBUIOXPPFX-FCFCDCELSA-N 383.426 -0.681 30 10 GBEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1316535339 KLPGOYNXAQSYLO-ZNMIVQPWSA-N 390.444 -0.217 30 10 GBEE C#CCN(C(=O)[C@H](C)S(=O)(=O)C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1319197817 YEGPJPKGKJJYNG-QWHCGFSZSA-N 377.484 -0.382 30 10 GBEE C=CCn1c(C2CC(O)C2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1355988913 BZFBEHDRGPDZDJ-UHFFFAOYSA-N 390.488 -0.317 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 1455116593 ZGMGUIVVRMZMJW-UHFFFAOYSA-N 394.482 -0.231 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508079597 ACLBVXAXLDVIST-LBPRGKRZSA-N 384.400 -0.322 30 10 GBEE C#CCN(c1nnc([C@@H]2C[C@@H](O)CN2C)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1520289622 PAMSTDIDDFSAGD-KFWWJZLASA-N 379.486 -0.172 30 10 GBEE CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1554506384 CFFXGWLOXISRMF-ZDUSSCGKSA-N 395.489 -0.092 30 10 GBEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)NC(C)C 1588006032 AVVHPTCCUNAHTA-UHFFFAOYSA-N 382.490 -0.202 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1OCC 1684646792 JMWBRWKWEQNYDQ-APIJFGDWSA-N 382.461 -0.514 30 10 GBEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)C1 1851255891 OUSYQEWAJQRGPD-ZDUSSCGKSA-N 378.458 -0.332 30 10 GBEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C(=O)C2)C1 1855046467 XAWTZOUOPBJQKV-KRWDZBQOSA-N 394.439 -0.065 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CCS(=O)(=O)CCN2)OC1(C)C 2267198021 SGILUTADGTVIMU-UHFFFAOYSA-N 387.292 -0.183 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2COC[C@H]2N)OC1(C)C 2267468591 LOHPXKTYTCHZAU-NXEZZACHSA-N 389.308 -0.412 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2[C@@H](O)C[C@H]2C1 2282308018 LPHBVOZSAHNBPK-AXFHLTTASA-N 384.267 -0.884 30 10 GBEE COC[C@H](O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339889 YQAVICHTUJHMGF-LLVKDONJSA-N 389.283 -0.605 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C2CNC2)C1 2282339918 YXPQLOUSSBXHMO-UHFFFAOYSA-N 382.295 -0.441 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCC(=O)NC2)n1 2282501452 XFHLRBMIKZDWRH-SNVBAGLBSA-N 384.267 -0.724 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3COC[C@@H]3C2)n1 2282507808 MLDMCSXHIVPRLX-RYUDHWBXSA-N 383.279 -0.014 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC=C[C@@H]1C(=O)O 2284395583 NAZRYRUXSNMBIK-LLVKDONJSA-N 383.235 -0.267 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC(C(=O)O)C(=O)O)cc2)OC1(C)C 2284411999 QYZKFTONFOTFOV-UHFFFAOYSA-N 385.203 -0.198 30 10 GBEE CO[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2327149046 LKCXVEYMRMCYFB-JHJVBQTASA-N 376.475 -0.205 30 10 GBEE CO/N=C(/C(=O)N[C@H]1C(=O)N2C3=C(COC3=O)CS[C@@H]12)c1csc(N)n1 39390675 MCSWUKXFFGUOQE-GZPQMAAYSA-N 395.422 -0.713 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccnn3)CC2)c1=O 170638780 LBQOREMKUCMMTB-UHFFFAOYSA-N 385.428 -0.887 30 10 GBEE C/N=C(/NCC(=O)NCc1ccco1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262533857 JFJAOXWHEJNOQR-HNNXBMFYSA-N 377.445 -0.206 30 10 GBEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 273407802 KCASKLWXCCGFFO-OCCSQVGLSA-N 399.469 -0.009 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c1 578907217 XQXDEVQKVWUHSM-WDEREUQCSA-N 386.455 -0.614 30 10 GBEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 579253192 LFVYDHPEBXNHEU-KPWVOAKYSA-N 393.512 -0.124 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2c(C)noc2C)CC1 672719938 XTPPECQVPVUQIV-GFCCVEGCSA-N 377.445 -0.085 30 10 GBEE C#CCN(CC#C)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 784866039 IMUOSZZMPNWXHE-UHFFFAOYSA-N 382.420 -0.009 30 10 GBEE C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 847518051 JSFFKRKUJYLSAO-LIRRHRJNSA-N 386.408 -0.088 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 849959420 BNUUVTZMTHFAGK-LBPRGKRZSA-N 377.401 -0.552 30 10 GBEE C#CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 886585260 OJHDVVCXWXSAIY-GDBMZVCRSA-N 381.498 -0.422 30 10 GBEE Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156670106 PGWWGTZPXCPEDJ-XKQJLSEDSA-N 379.438 -0.696 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)F 1286272445 BTHQYXUTJHPIBW-ZJUUUORDSA-N 392.432 -0.273 30 10 GBEE CCCN1CCC(CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1321997497 PYIVJMLTUDNAOF-MSUUIHNZSA-N 391.472 -0.133 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 1322692590 DXRXZUOWJBFZGB-AMVJDGHQSA-N 376.413 -0.297 30 10 GBEE CCc1noc(C[C@]2(O)CCCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)C2)n1 1335005202 GOMSTUGVTQJSGS-SJKOYZFVSA-N 377.401 -0.721 30 10 GBEE CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@](C)(C#N)C2)cn1 1347018135 XMQDFZUMZUFINO-QGZVFWFLSA-N 375.433 -0.738 30 10 GBEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1359297188 ICHLXMCFPLNJLG-UHFFFAOYSA-N 393.473 -0.372 30 10 GBEE CS(=O)(=O)CCN1CCC(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1464906214 RDLXHSJXAYZXGP-WUKNDPDISA-N 398.485 -0.472 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1507653686 QGGMYYNDJPLATK-AWEZNQCLSA-N 393.469 -0.791 30 10 GBEE CN(C)C(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1540484979 YWEZHAHQUZDLCK-UHFFFAOYSA-N 396.444 -0.031 30 10 GBEE C=C(C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1558111064 YYAGICHMCUAGRQ-LBPRGKRZSA-N 390.483 -0.188 30 10 GBEE N#C[C@]12CN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C[C@H]1CS(=O)(=O)C2 1598568423 UNQWHKAPIKBDOX-GMXVVIOVSA-N 378.497 -0.697 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 1659978870 WISQYDRVBGHLSK-UHFFFAOYSA-N 391.453 -0.410 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC=C(C(=O)OCC)C2)CC1 1674400189 KETHRBCSKPNUGZ-AWEZNQCLSA-N 384.458 -0.567 30 10 GBEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)NCC(F)(F)F 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10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)CC1 349532706 OXSGBASQAAQTJX-ZDUSSCGKSA-N 378.520 -0.340 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCO[C@H]2C(=C)C)CC1 430401453 KMFXWUKDUCLAGE-RDJZCZTQSA-N 378.473 -0.470 30 10 GBEE CCc1c(C(=O)N2CCN(C(=O)CC#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 576596697 XVBDNQRWLPFBPN-UHFFFAOYSA-N 398.423 -0.607 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@]3(CCSC3)C2)CC1 583263655 MCJSGTOJRDQIDU-SFHVURJKSA-N 396.513 -0.833 30 10 GBEE CN1C[C@@H]2[C@H](CCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 590280379 GZVVAKCUKZJTQD-HZPDHXFCSA-N 379.424 0.299 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 592152899 GLRNLHQAWWHQNY-SJLPKXTDSA-N 398.529 -0.432 30 10 GBEE CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1 592341957 CERRCYFBKQTDDR-HNNXBMFYSA-N 378.454 -0.091 30 10 GBEE CN1CCOC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 600765030 XFXWMBABEXBWFJ-GFCCVEGCSA-N 388.471 -0.903 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)CC1 753371140 PQWOBXLSRHFNCE-UHFFFAOYSA-N 376.482 -0.265 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 875603848 FAOAXPOZGWUXLF-JKSUJKDBSA-N 378.473 -0.704 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCc2nc(C)ncc2C1)[C@H]1CCS(=O)(=O)C1 1116993664 GNGDSTIWFYBKEW-CABCVRRESA-N 390.465 -0.593 30 10 GBEE N#CC[C@]1(O)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1118214010 IEZWJNDCMJDJHN-ADAWSYLGSA-N 397.497 -0.027 30 10 GBEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1118949332 ZCCKGUMAGDZVIZ-GDBMZVCRSA-N 375.473 -0.052 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)CC1 1252053207 JRMRKAUSQCVFPJ-HDJSIYSDSA-N 385.490 -0.927 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)CC2)c1 1326861867 NZQYRDBYQJQQTI-OAHLLOKOSA-N 398.423 -0.299 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCC(NCCOC)CC2)CC1 1327412090 KFTDJXWRACWILF-UHFFFAOYSA-N 378.473 -0.799 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)n1 1327732450 BWRMOEQWSUWPHL-CQSZACIVSA-N 395.485 -0.643 30 10 GBEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1338894658 KMGAFMDYVGZPRD-GJZGRUSLSA-N 377.493 -0.588 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(C2CCCC2)CC1 1342095943 IDXALJUPPMZGHA-MSUUIHNZSA-N 389.456 -0.284 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCN(C(=O)NC)CC1 1355996711 NKSNUOMWZNBRBP-GFCCVEGCSA-N 379.490 -0.300 30 10 GBEE C[C@@]12CCC(=O)N1[C@H](C(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CS2 1472370371 GLTWPDSMPWKFHX-MEDUHNTESA-N 375.410 -0.342 30 10 GBEE CS(=O)(=O)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCC1 1478594220 AESMVHKAQMDLHE-GXTWGEPZSA-N 389.499 -0.076 30 10 GBEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1539386563 LNKLTAAOZHRUNN-HNNXBMFYSA-N 398.423 -0.007 30 10 GBEE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1558003130 BHYWKZAUMWLQJT-ZYHUDNBSSA-N 381.410 -0.750 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2(CS(C)(=O)=O)COC2)C1 1632533418 WYYYMMFRQZDVBJ-NWDGAFQWSA-N 387.458 -0.077 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(N3CCCC3=O)c2)CC1 1644285125 IWLNLXXOPGSCIY-UHFFFAOYSA-N 391.453 -0.566 30 10 GBEE COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1648217360 RCQDGJLONGZCLM-HNNXBMFYSA-N 384.348 -0.044 30 10 GBEE C#CCN(C(=O)Nc1nc(CS(C)(=O)=O)no1)[C@H]1CCS(=O)(=O)C1 1670251969 VBZQVNXQYGPAON-VIFPVBQESA-N 376.416 -0.732 30 10 GBEE CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1)S(C)(=O)=O 1702987083 OPRCFTALPSKQEC-BZPMIXESSA-N 379.442 -0.361 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC 1705628980 UHVRICXTIDFQPV-CQSZACIVSA-N 385.490 -0.193 30 10 GBEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)NC 1705676878 RSQZCXQHOCGBFG-QGZVFWFLSA-N 394.501 -0.058 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1722697154 GNKGADSAVAECHI-UHFFFAOYSA-N 399.455 -0.063 30 10 GBEE C#CCN(c1nnc(COCC)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 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C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)NC)C1 1540891043 OELPBCLTKBVNCW-OLZOCXBDSA-N 398.489 -0.440 30 10 GBEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCCN1CCO)c1cc[nH]n1 1637250371 YXOLLJMZQHBLEU-ZDUSSCGKSA-N 381.433 -0.344 30 10 GBEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1642889865 UDYKKWHFPGEJHI-UXIGCNINSA-N 395.437 -0.081 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnn2[C@H]2CCCOC2)CC1 1674937519 FZWPMQMYTCVTKU-AWEZNQCLSA-N 396.473 -0.148 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 1682212353 DXAWSDXOXBQOKF-UHFFFAOYSA-N 375.429 -0.322 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@H](CS)C(=O)O)O[C@@H]2C1 2253904776 LEVFZYWSENRMKJ-LMLFDSFASA-N 376.431 -0.111 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H](O)[C@H](O)C2)OC1(C)C 2267469453 VVCYSKHYDBVEKU-PHIMTYICSA-N 390.292 -0.691 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]43)[nH]n2)OC1(C)C 2281981555 ZLQIZEPUXROUGH-ZYHUDNBSSA-N 381.263 -0.032 30 10 GBEE 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COC[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413330 JLLMQHVXKQAXPK-JTQLQIEISA-N 389.239 -0.903 30 10 GBEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1CCO 428149888 HPLFKHFMIRDZRE-UONOGXRCSA-N 380.470 -0.250 30 10 GBEE C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CN(C)CCO1 589139314 SBACIEGWUYPXKW-GDBMZVCRSA-N 386.456 -0.563 30 10 GBEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3nncn3C)CC2)CC1 656311127 JKXASVOZZKFNAY-UHFFFAOYSA-N 375.477 -0.380 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)cc1 735380174 DNFGNPRCIYTVSQ-CYBMUJFWSA-N 376.398 -0.675 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 772649954 PSSIARWWQKABQZ-JTQLQIEISA-N 376.416 -0.378 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1OC 941975577 OZHWUALHOFUBRA-DMEJVMROSA-N 379.413 -0.085 30 10 GBEE Cn1ccn2c(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)nnc2c1=O 1133044485 CAPXRQXMMALQMS-CYBMUJFWSA-N 391.391 -0.031 30 10 GBEE N#C[C@@]12CN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C[C@H]1CS(=O)(=O)C2 1156669679 GEEJDZPAGQKERB-ZBINZKHDSA-N 396.450 -0.887 30 10 GBEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCN4CCSC[C@@H]34)C2)c(=O)nc1O 1248689627 GEKPOEPSNIDLFV-KGLIPLIRSA-N 390.469 -0.033 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)CN2C(=O)CCC2=O)C1 1290912861 VUJRIQMJBJPADK-TUVASFSCSA-N 377.441 -0.063 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nc(C)cc(O)n3)CC2)C1=O 1303723283 PCIWVNCWWPILQF-UHFFFAOYSA-N 388.384 -0.884 30 10 GBEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1325658971 MRUMPBRJYVLHMZ-ZDUSSCGKSA-N 385.467 -0.406 30 10 GBEE CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1C(F)(F)F 1328115651 JOPYTDFORFOTEQ-NXEZZACHSA-N 393.347 -0.221 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CCOCCNC(=O)OC(C)(C)C 1351428983 NUCPJWBGSRVHMR-CQSZACIVSA-N 383.445 -0.153 30 10 GBEE C=CCn1c(Cn2cc(CCCO)nn2)nnc1N1CCN2CCOC[C@@H]2C1 1355897601 VDKRKTFKQVYAJF-INIZCTEOSA-N 388.476 -0.450 30 10 GBEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1358964122 UGWQKTUQDUZGBX-KBPBESRZSA-N 395.485 -0.455 30 10 GBEE C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCNC(N)=O)CC1 1490610221 NPYMDQWPCUCQOV-PMPSAXMXSA-N 375.473 -0.362 30 10 GBEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1536180140 QBYCWTYFBBJNOD-ZBEGNZNMSA-N 375.410 -0.730 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)OC)n2)CC1 1626087626 CCQLQDCMCTUGEK-UHFFFAOYSA-N 381.414 -0.515 30 10 GBEE C=CCOC[C@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)OC 1635159126 TUHUANBIOPWWRN-HOTGVXAUSA-N 397.472 -0.440 30 10 GBEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2C(=O)NCC23CCOCC3)cc1 1644520500 HFSQTHCQYJZOHG-INIZCTEOSA-N 391.449 -0.116 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)OC)c1 1648345230 UAHXIFXBZZAQHW-AWEZNQCLSA-N 393.421 -0.946 30 10 GBEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@]1(O)CCS(=O)(=O)C1 1689947555 HWBXXRMWOWPOIZ-BBRMVZONSA-N 386.474 -0.379 30 10 GBEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(C[C@H]4COCCO4)C3)CC2=O)ccn1 1854904296 IIOCHBXOWCJYAW-MSOLQXFVSA-N 399.451 -0.273 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CNC[C@H]2S(C)(=O)=O)C1 2266490563 AZVVEKCFHITIMK-XPFWZQFZSA-N 385.486 -0.206 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CCNC(=O)[C@H]3C(N)=O)cs2)OC1(C)C 2282200567 PODBHDSLOMPWRT-LLVKDONJSA-N 379.247 -0.527 30 10 GBEE C[C@H]1CCNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329686 PZUUXNMCLHHCSC-NWDGAFQWSA-N 384.311 -0.004 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(N2CCC2)C1 2282335780 UQSMHCAFEUKUSO-UHFFFAOYSA-N 382.295 -0.202 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC3(CC(N)C3)C2)n1 2282513121 XUHONNWSBDKVHO-UHFFFAOYSA-N 382.295 -0.169 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC2(C1)C[C@H]2N 2282853039 XVHGPAMNZNGAQE-NOEPWBJOSA-N 382.295 -0.123 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C3CCC3)C2)CC1 414601497 SCJQCRXAUDQODA-MRXNPFEDSA-N 378.473 -0.540 30 10 GBEE 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C#CCN(C(=O)[C@H]1COC(=O)N1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1748030101 VMWPROMGBDRIDS-NEMWNAMBSA-N 387.436 -0.029 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccn(C)c(=O)c3)[C@H](C)C2=O)CC1=O 1856416304 YHQHMRJYLWCMQM-GDBMZVCRSA-N 386.452 -0.021 30 10 GBEE CC1(C)OB(c2nc(=NS(=O)(=O)N3CCOCC3)s[nH]2)OC1(C)C 2047624878 NPGLDANQNYXJEU-UHFFFAOYSA-N 376.269 -0.752 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@](O)(C(N)=O)C2)OC1(C)C 2282030975 MPJYCIXWMFROML-MRXNPFEDSA-N 381.263 -0.105 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@](C)(O)C1CC1 2282311989 POAWIAMXKLWTTF-OAHLLOKOSA-N 386.283 -0.446 30 10 GBEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(S(N)(=O)=O)C2)n1 2282593527 RTYMLOPFNOWRBV-UHFFFAOYSA-N 384.267 -0.685 30 10 GBEE Cn1cc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)nn1 2282858703 BEQGYTMFJBDROT-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@](F)(CN)C1 2282863946 AWHLCFNDZCTHNI-DEZZCRIOSA-N 389.262 -0.778 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS[C@H](C(=O)O)C1 2284435228 KGZKIONSWYLOCH-VIFPVBQESA-N 382.251 -0.244 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3C[C@@]3(CN)C2)n1 2288266766 HKVXOSZJZLOHQI-BDJLRTHQSA-N 382.295 -0.311 30 10 GBEE CC(C)(C#CC(=O)O)NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2313856310 NDGRSKWAQCODCV-SNVBAGLBSA-N 376.431 -0.093 30 10 GBEE C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 288623281 QSWSECBJBLQKOJ-UHFFFAOYSA-N 383.474 -0.356 30 10 GBEE N#Cc1ccc2ncc(CN[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2c1 566752761 GDXBTNIUCXFGHE-HOTGVXAUSA-N 375.454 -0.207 30 10 GBEE C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 875598262 TWJOWWHXFKQMEY-WOPDTQHZSA-N 398.403 -0.035 30 10 GBEE C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC[S@@]1=O 1117957815 WXMYXOCYRUNSJW-VXKZXEGRSA-N 389.481 -0.030 30 10 GBEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC(N)=O)C1 1118874030 XRDQTSGGHDBENX-NWDGAFQWSA-N 386.478 -0.455 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)CC1 1152967576 LSPFXGNTKCXXMY-HNNXBMFYSA-N 377.426 -0.814 30 10 GBEE C[C@H](CC(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 1158797123 YKJVHQOUIAFEMS-JLLWLGSASA-N 390.421 -0.765 30 10 GBEE CNC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1167114286 NAZDIUXNIYWVPL-LLVKDONJSA-N 398.416 -0.107 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCNC(=O)C1 1286818501 JOZYOUVSMXVNCZ-UHFFFAOYSA-N 379.446 -0.784 30 10 GBEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300756622 RARPPYPIAVOWPZ-QWHCGFSZSA-N 389.485 -0.191 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1325592461 SAPSBKNVOJJDDQ-DLBZAZTESA-N 380.404 -0.364 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@H]4OCCC[C@@H]4C3)C2)c(=O)nc1O 1328849907 ZUBPQIUYZZMZAF-BXUZGUMPSA-N 387.396 -0.769 30 10 GBEE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1329436005 JFDRDYHYRPOJSS-JKSUJKDBSA-N 390.415 -0.046 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC(F)(F)C[C@H]2CO)CC1 1331249517 HYWYYYGTTBWVNO-ZDUSSCGKSA-N 379.367 -0.170 30 10 GBEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCN2CCOC[C@@H]2C1 1342202770 HPEWPWNDYZWDIS-KBPBESRZSA-N 382.490 -0.261 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)CCOC)CC1 1359028623 YGXWUYNJAIJLAZ-UHFFFAOYSA-N 391.520 -0.250 30 10 GBEE COC1(OC)CCOC[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1453765844 JTJQAXCDFAIKEC-ZDUSSCGKSA-N 383.426 -0.381 30 10 GBEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1503116724 FLVHHLZPDZGIAU-UONOGXRCSA-N 398.489 -0.175 30 10 GBEE CS(=O)(=O)N1CCC(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1565629912 MGHRDGGCWLEVDT-FOCLMDBBSA-N 384.458 -0.309 30 10 GBEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588301786 BSCKSEHNZTWWOW-INIZCTEOSA-N 378.458 -0.312 30 10 GBEE N#Cc1csc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 1687729286 BCRMOILQDXEUNI-UHFFFAOYSA-N 378.458 -0.299 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1690659117 KESGMKLNRHUJAN-GFCCVEGCSA-N 391.432 -0.641 30 10 GBEE C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1OCC 1691325032 FVLSYZLSNQNURQ-DIKXUDHVSA-N 395.500 -0.207 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCO 1705551124 HEPQPGBGZLALFP-AWEZNQCLSA-N 385.490 -0.157 30 10 GBEE C=CCNC(=O)NC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1733309280 OHXXLVOVHZGVFN-BAGFCZJQSA-N 376.457 -0.047 30 10 GBEE C#CCS(=O)(=O)CCNC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1853323286 FTPYYXWREXCFOM-UHFFFAOYSA-N 398.506 -0.305 30 10 GBEE Cn1cc(C(=O)N2C[C@@H](CN3CCN(c4ncccc4C#N)CC3)CC2=O)nn1 1855890510 VFFMNAFOSMWABH-CQSZACIVSA-N 394.439 -0.107 30 10 GBEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1=O 1856749945 NMWNCJZFVBJJRE-KGLIPLIRSA-N 378.429 -0.325 30 10 GBEE C=CCN([C@H]1CCCN(C(=O)CN2CCOC2=O)C1=O)[C@@H]1CCN(C)C1=O 1856749946 NMWNCJZFVBJJRE-UONOGXRCSA-N 378.429 -0.325 30 10 GBEE CN1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)[C@H](CNC(=O)C(F)(F)F)C1 2174784494 OKYHDVDPNQJOGP-NWDGAFQWSA-N 397.423 -0.239 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)CC1 2200983893 IBAHDOVVNDFTRJ-CQSZACIVSA-N 384.477 -0.434 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1COC[C@H]1F 2267371743 FGSUEUVAOUFFLE-GHMZBOCLSA-N 375.231 -0.266 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCNC[C@H](O)C3)c2)OC1(C)C 2282351583 COMFHEIVOGZILC-ZDUSSCGKSA-N 383.279 -0.664 30 10 GBEE CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)OC 2282848411 NHTLOFVUDNEOQJ-JTQLQIEISA-N 387.267 -0.051 30 10 GBEE Cn1nc(C(=O)N[C@@H](CCO)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284430291 RPVUXSKUCRDDJE-QMMMGPOBSA-N 387.629 -0.062 30 10 GBEE C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@]12[C@@H](O)O[C@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2O 257390256 BTWFVPFIPDEZTE-QFRLVCSKSA-N 380.437 -0.306 30 10 GBEE biogenic COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349462173 KZZSDGKCBDHIJI-CYBMUJFWSA-N 388.471 0.136 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](O)(C(F)F)C1 349468442 PIRGWUFOOMOJPC-ZYHUDNBSSA-N 389.446 -0.418 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 349476078 GPKRKKCQOVFCGY-CRWXNKLISA-N 379.504 -0.275 30 10 GBEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 373578920 SRFKAYLGMTWNRD-RDTXWAMCSA-N 389.456 -0.199 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 425910968 ZLZMVKTZTCBZBS-XHSDSOJGSA-N 378.473 -0.541 30 10 GBEE CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 582490086 QQLRDQNIBFKUET-LLVKDONJSA-N 392.437 -0.095 30 10 GBEE Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 603552705 RNOMJWZMHQNFKM-AWEZNQCLSA-N 399.476 -0.396 30 10 GBEE CC(=O)OC[C@@H]1O[C@](F)(C#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616585324 KECVBZMPOOTOSB-VQJWOFKYSA-N 375.305 -0.067 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)cc1 735432793 VSNGXFGRTPJWBM-CYBMUJFWSA-N 378.414 -0.122 30 10 GBEE N#CC(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 743725054 BNNPRSDYJRDTJH-UHFFFAOYSA-N 381.417 -0.267 30 10 GBEE C#CCNC(=O)C1CCN(CC#CCN2CCC(C(=O)NCC#C)CC2)CC1 792868381 UQNWXGFLHDARBP-UHFFFAOYSA-N 382.508 -0.087 30 10 GBEE CC(C)[C@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCN(C)CC1 913999760 VSMWRXGPQLXCHK-SOLBZPMBSA-N 397.545 -0.162 30 10 GBEE C[C@H](C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)n1cnc(C#N)n1 1321150728 JFYXYADNBUHBPX-GFCCVEGCSA-N 381.396 -0.401 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H](C)Cn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1321944424 XSDAVYXZISAKDD-ZFWWWQNUSA-N 380.470 -0.407 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1326250734 PRELEXMNPZVADD-RRUGBERISA-N 378.429 -0.470 30 10 GBEE CC(C)[C@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1CCN(C)CC1 1332411693 WLIFDKCGXRQUHS-MSOLQXFVSA-N 390.532 -0.427 30 10 GBEE C#CC[C@@H](NC(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1ccccc1 1333872508 AVBUUZJRGHGTOH-LSDHHAIUSA-N 376.438 -0.772 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC[C@@H]2CC[C@@H]3C[C@@H]23)CC1 1334700253 WFWZEAJKSXFSIA-ZNMIVQPWSA-N 379.490 -0.301 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 1349729064 KRSDKKYFLXQULX-CQSZACIVSA-N 379.438 -0.257 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)cc1 1454672245 PSOMYMVDELOLHR-IRXDYDNUSA-N 389.433 -0.183 30 10 GBEE C#C[C@@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1468484248 URVZMHMCOUMFGQ-VIFPVBQESA-N 383.149 -0.009 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@@H]1C 1689826751 UHBCILOLFGRWTM-BCUIYNNISA-N 385.490 -0.114 30 10 GBEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1697781713 NKTFALYVJNRFME-UPJWGTAASA-N 387.437 -0.107 30 10 GBEE C#CCN1CCC(C(=O)NC[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1721763017 JWIBHGRMNGLAGS-XLAORIBOSA-N 377.485 -0.260 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 1740349443 JWGKSBMJBHTOJV-LHAXHYPGSA-N 376.413 -0.325 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1740609583 LKJKBMUHDXGRNZ-JTQLQIEISA-N 393.391 -0.072 30 10 GBEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1740937313 XAXUOLPVNSKJGC-UHFFFAOYSA-N 375.437 -0.275 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCC2CC2)CC1 1748971546 UWMSWDYDOTXLPO-UHFFFAOYSA-N 387.488 -0.302 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1757739427 RVBGITQZTWSXGE-CRWXNKLISA-N 376.413 -0.212 30 10 GBEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CS(=O)(=O)CN3C(C)=O)C2)CC1 1855016166 SMKFWFJJDRIFLG-HOTGVXAUSA-N 397.497 -0.138 30 10 GBEE CN1C[C@@H](C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)CC1=O 1856410495 IQHZSTHXHPQYPD-KBPBESRZSA-N 397.435 -0.130 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCCCO3)C(=O)C2)C1 1856849061 BSOPJBNAYWDPBI-UONOGXRCSA-N 384.458 -0.846 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CCS(=O)(=O)N2)OC1(C)C 2267163799 ZEUASJSISNZZGZ-VIFPVBQESA-N 387.292 -0.136 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@]2(=O)CC[C@H](CN)C2)n1 2281952178 SUUKGGYEILLUAC-SKVICXGVSA-N 383.283 -0.299 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(F)(CN)C1 2282303789 AWHLCFNDZCTHNI-UHFFFAOYSA-N 389.262 -0.778 30 10 GBEE CCCC1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CNC1 2282324056 KCCGGYOAORLJRT-UHFFFAOYSA-N 385.299 -0.465 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(O)CCOC1 2282331209 KSWLAQYXJTWURC-HNNXBMFYSA-N 387.267 -0.851 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2COC[C@H]2O)n1 2282493235 SJZICLASJZLACT-CMPLNLGQSA-N 387.267 -0.995 30 10 GBEE CC1(C)OB(c2cccc(Cl)c2C(=O)NC(C(N)=O)C(N)=O)OC1(C)C 2282522532 MAPHGFCYOOPDMN-UHFFFAOYSA-N 381.625 -0.292 30 10 GBEE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282610290 USLIKETXILUUMN-NTZNESFSSA-N 384.263 -0.365 30 10 GBEE Cc1nc(S(=O)(=O)N2CC=C[C@@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282842839 DPDHYQUQAWLQAQ-GFCCVEGCSA-N 383.279 -0.051 30 10 GBEE C[C@@H]1CNC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282854892 XCWQOJGMLJKNHR-RYUDHWBXSA-N 384.311 -0.004 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)CC1(C#N)CC1 2312322764 YBCUZUJCSLGYAW-UTUOFQBUSA-N 375.447 -0.449 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1[C@@H]2C[C@H]1CN2 2359283166 NSUCZGHZSWAIEY-TUAOUCFPSA-N 382.295 -0.395 30 10 GBEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCCn1cnc(C#N)n1 367884547 HPCCVRZOCUGDJQ-MRXNPFEDSA-N 393.411 -0.011 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)C1=O 374508660 RNLSMIDXJHQZGV-CYBMUJFWSA-N 389.412 -0.086 30 10 GBEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(C(=O)CC#N)CC2)CC1 594470457 ZIUHTCXPFQPTPJ-UHFFFAOYSA-N 392.503 -0.954 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 597258226 LVWWZPZNIOEIJA-IAGOWNOFSA-N 389.500 -0.150 30 10 GBEE CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CCO1 599388555 JBJVPSFIYRIJLA-GFCCVEGCSA-N 396.425 -0.337 30 10 GBEE CC[S@@](=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 805617109 RVIPJITYACUVJJ-KUNJGFBQSA-N 390.465 -0.340 30 10 GBEE CCOC(=O)CON=C(C(=O)NCC(C)(C)[C@]1(O)CCOC1)c1cc[nH]n1 844041182 PJEADUDGWUUKPW-KRWDZBQOSA-N 382.417 -0.013 30 10 GBEE CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OC)n1 853323619 IERXDAIZNBIYOH-UHFFFAOYSA-N 381.414 -0.420 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC1 1175515030 OQQIEQJJGFORTH-NSHDSACASA-N 399.502 -0.900 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(S(C)(=O)=O)CCOCC1 1266190543 BKISXOKGDFGQEQ-CYBMUJFWSA-N 393.469 -0.021 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CNc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1326560441 JQABYXFZWUHEHI-CABCVRRESA-N 375.450 -0.212 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2CC[C@@H]2CC[C@@H]3C[C@H]23)CC1 1334700251 WFWZEAJKSXFSIA-RRFJBIMHSA-N 379.490 -0.301 30 10 GBEE C#CCN(C(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1CCS(=O)(=O)C1 1337194339 WOIAUDBXQWJGOH-JTQLQIEISA-N 391.496 -0.273 30 10 GBEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(CCOCCOC)CC1 1339530927 QDICWUPQRSZQLM-SJORKVTESA-N 394.520 -0.013 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCC(C(=O)NCCO)CC1 1355897861 WWZINDPQHYKXQH-HNNXBMFYSA-N 378.477 -0.208 30 10 GBEE C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1355969463 ULWWCXWDOBWALK-QLFBSQMISA-N 381.502 -0.098 30 10 GBEE C=CCN(C(=O)c1nc(S(N)(=O)=O)c2ccccn12)[C@H]1CCS(=O)(=O)C1 1464398264 IFFCSBKIAQWRIP-NSHDSACASA-N 398.466 -0.203 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)sc2C)CC1 1623498841 GGYKGVYIJSUFJD-UHFFFAOYSA-N 384.483 -0.789 30 10 GBEE COCCNC(=O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1624867987 GDKAKHAGDHAREJ-UHFFFAOYSA-N 377.401 -0.788 30 10 GBEE Cc1cccc(N2CCN(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)CC2)c1 1652100072 OTWCSHAPPAVGLG-UHFFFAOYSA-N 397.435 -0.469 30 10 GBEE C=CCNC(=O)NC(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1673060072 SHWCCNLPRWIHET-TUVASFSCSA-N 380.445 -0.617 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC)CC1 1705639435 NZEQCYREZKFNKP-OAHLLOKOSA-N 381.502 -0.028 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]1C 1736272730 QESSWKYMTCPQFI-NDBYEHHHSA-N 379.461 -0.523 30 10 GBEE C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1 1740150544 UDVCBPJMDHEBOR-GJRWTSMGSA-N 377.441 -0.634 30 10 GBEE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C(=O)C(=O)NCC#N 2194195428 OFTMDKHIJLTDEG-QGZVFWFLSA-N 379.417 -0.646 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(F)C[C@H](N)C1 2282343177 ONOXDHVPOHKIMG-LGZQZNNBSA-N 388.274 -0.173 30 10 GBEE CC(C)C[C@@H](N)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282408271 GYKBQOVCIWLMEQ-LLVKDONJSA-N 387.315 -0.234 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2NC[C@@H]3C[C@H]32)n1 2282413925 LONQYGVBRNQETA-LOWVWBTDSA-N 382.295 -0.395 30 10 GBEE CC1(C)OB(c2csc(C(=O)N[C@@H]3C[C@H](CO)[C@H](O)[C@@H]3O)c2)OC1(C)C 2282591796 UWKICBYZXSWJEE-QIRAZROLSA-N 383.275 -0.120 30 10 GBEE C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853839 JYDUIYLMEVLGQE-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)OC1(C)C 2283069872 SHVHMELUPNXTEI-WDEREUQCSA-N 379.247 -0.213 30 10 GBEE CN(C)C(=O)CN/C(=N/CCN1CCOCC1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 262262160 FAQGSVHTIZBHFM-MWDXBVQZSA-N 379.505 -0.538 30 10 GBEE CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1 349499252 RSHMRTONDCAWSD-STQMWFEESA-N 394.519 -0.664 30 10 GBEE N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1 444502722 QZEQCJRNRAMXTN-UHFFFAOYSA-N 378.396 0.351 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)CC1 459906426 OXZPLEDUJZDJGT-UHFFFAOYSA-N 381.521 -0.521 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 492322463 ZQCNZWQVSLLMKL-HZPDHXFCSA-N 390.484 -0.002 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 523874297 HEWSXGZPZWTHOR-UHFFFAOYSA-N 392.481 -0.419 30 10 GBEE Cn1c(=O)c2cc(C(=O)N3CCN(C(=O)CC#N)CC3)sc2n(C)c1=O 568196075 YTPPNHFOGVIAPV-UHFFFAOYSA-N 375.410 -0.503 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CN(C)C(=O)[C@@H]2C)cc1 594485698 SKQVSAFIHXQSKS-QWRGUYRKSA-N 386.455 -0.314 30 10 GBEE Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@](C)(C#N)C3)CC2)no1 595127590 QUNUGROFLWEDHZ-GOSISDBHSA-N 388.428 -0.172 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)CC1 730079259 WMLAFOFTFYBUHI-LSDHHAIUSA-N 380.514 -0.172 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)CC1 896578989 MAOSNBBEKSCUIO-VXGBXAGGSA-N 398.407 -0.109 30 10 GBEE C#CCN1CCN(C(=O)Cc2n[nH]cc2C(=O)N2CCN(CC#C)CC2)CC1 932710353 RZOFVIQEZYFCAW-UHFFFAOYSA-N 382.468 -0.879 30 10 GBEE C#CC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1179983011 XBNRWOURAXZCMM-OAHLLOKOSA-N 394.449 -0.077 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1261195303 WAXSWFHSJXKVCU-GJZGRUSLSA-N 383.514 -0.128 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1 1261772561 AYLHNTZLLQMHSK-UHFFFAOYSA-N 383.451 -0.660 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2ncccn2n1 1282673850 ZCWSMNUOSPRJDF-AGIUHOORSA-N 381.396 -0.875 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(c2ccncc2)CC1 1324574915 FFODJWQTJRULOQ-MSUUIHNZSA-N 398.423 -0.627 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCS(=O)(=O)C1 1326044408 JLYVWPJQYVTNSO-CQSZACIVSA-N 388.409 -0.750 30 10 GBEE COC(=O)CCN(CC#N)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 1460650539 LFHSSRWINMELEV-UHFFFAOYSA-N 379.417 -0.093 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(=O)n(CCO)c1 1557150876 UYKKHIHIVHJZIG-UHFFFAOYSA-N 390.421 -0.092 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(OC)(OC)[C@H](O)C2)c1 1557152759 HZKYJHNRBDSJSL-OAHLLOKOSA-N 382.438 -0.206 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1565247410 QOAGADQTJFKBPU-QGZVFWFLSA-N 387.465 -0.180 30 10 GBEE C#CCN1CCCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 1586493705 CRPDQGPHNRNADR-HIFRSBDPSA-N 385.511 -0.057 30 10 GBEE COC(=O)c1ccc2nc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)[nH]c2c1 1622437585 IDMRSVOLSRYICX-NSHDSACASA-N 379.398 -0.092 30 10 GBEE CS(=O)(=O)CC1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COC1 1634589010 SSHZQKMXXSOFKW-OAHLLOKOSA-N 391.449 -0.163 30 10 GBEE C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1OCC 1656491230 BWGLJRDFPXMUFK-YFHUEUNASA-N 387.484 -0.274 30 10 GBEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705906289 ZAYIETUTSZCHMD-UHFFFAOYSA-N 382.490 -0.386 30 10 GBEE C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1719826404 YFTKDILXTKXVRC-ILXRZTDVSA-N 375.429 -0.740 30 10 GBEE CC(C)(C#N)CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118170097 KZNXKVRCBXBNFJ-BDAKNGLRSA-N 384.380 -0.280 30 10 GBEE C#CCN1CC[C@H](NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)C1 2139362865 PYFZIWGNWZEPRE-SUMWQHHRSA-N 385.486 -0.108 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)NCCCS(N)(=O)=O)OC1(C)C 2255645195 NSNGEQRXDHARKG-UHFFFAOYSA-N 375.281 -0.149 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)C(N)=O 2267362461 SIFQJEAALRDVGQ-SECBINFHSA-N 390.292 -0.520 30 10 GBEE Cc1cc(S(=O)(=O)N[C@H]2CNC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2267364291 XBRNNJRVOYLCPK-WDEREUQCSA-N 388.320 -0.033 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2(CN)COC2)OC1(C)C 2267710453 VYFZUFQJBAZYRQ-UHFFFAOYSA-N 389.308 -0.411 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2COC[C@@H]21 2282308723 VKAHTGPLLUBFGZ-OUAUKWLOSA-N 384.267 -0.573 30 10 GBEE CO[C@H]1C[C@H]1CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282319331 RMCGOUPSMLKLMK-QWRGUYRKSA-N 386.283 -0.230 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2CNC[C@@H]21 2282331510 ONTAIUMYNYTBHF-YPMHNXCESA-N 382.295 -0.298 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(F)(F)C(N)=O 2282336871 HONFIITWIXMUKS-UHFFFAOYSA-N 394.209 -0.882 30 10 GBEE Cn1nc(C(=O)NC2[C@H]3CS(=O)(=O)C[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2282629545 XBWDQCPCHVDWSN-UWVGGRQHSA-N 381.263 -0.508 30 10 GBEE C[C@@H]1CNC[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849705 FUTWGEJKWUTNDK-VXGBXAGGSA-N 384.311 -0.147 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2[C@@H](O)C[C@@H]21 2282849776 GVQSVCVYAVTNNN-DRZSPHRISA-N 383.279 -0.137 30 10 GBEE C=C(CS(=O)(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1)B1OC(C)(C)C(C)(C)O1 2282872704 AJYSBWKFYRHFCG-PHIMTYICSA-N 387.267 -0.978 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)C(=O)O)cc2F)OC1(C)C 2284410977 FTZNGOBSRZCRQU-GFCCVEGCSA-N 389.210 -0.151 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NC1CCN(CC#N)CC1 2356120940 YSUCCUNLMUHPIO-RBSFLKMASA-N 382.461 -0.178 30 10 GBEE O=C(N1CCCC1)[C@]1(O)CCCN(/C(O)=N/[C@H]2COC[C@H]2n2ccnn2)C1 329182419 NSOSOPOQBFULEJ-VBQJREDUSA-N 378.433 -0.419 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](O)(C(F)F)C1 349457159 DOCLTQKAFIGMPP-LLVKDONJSA-N 375.419 -0.807 30 10 GBEE CN(C)C1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)C1 515339553 LLUHBWZOLGTNTJ-UHFFFAOYSA-N 384.483 -0.044 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cnc[nH]2)CC1 522986020 ZQAACJAJZGRFNL-UHFFFAOYSA-N 381.439 -0.023 30 10 GBEE 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C#CCN(c1nnc(COCC)n1C[C@H]1CCC(=O)N1)[C@@H]1CCS(=O)(=O)C1 1300504062 JHHULLUTCGVQEU-ZIAGYGMSSA-N 395.485 -0.280 30 10 GBEE CCC1(N2CCOCC2)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1302010495 VUGNYFARVKDKIN-UHFFFAOYSA-N 375.429 -0.076 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O)[C@H]1CCS(=O)(=O)C1 1328086079 PRTZDFQPLIYDRC-AWEZNQCLSA-N 389.433 -0.440 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC(CCC(=O)O)CC1)[C@@H]1CCS(=O)(=O)C1 1347161252 UHXZBFXHBAUHHB-CQSZACIVSA-N 384.454 -0.261 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3NC(=O)N(C)C3=O)n2C[C@H]2CCCO2)CC1 1347769509 XBEOXVRNPTZBHT-KGLIPLIRSA-N 387.444 -0.565 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cn1 1455475213 BEHVOYFETWYEQR-UHFFFAOYSA-N 379.380 -0.174 30 10 GBEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1507631381 CZTWDCUXCAUNGX-UONOGXRCSA-N 395.485 -0.108 30 10 GBEE C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(=O)NC(=O)N1 1522252695 SLLCBXPHNGXTBD-MQYQWHSLSA-N 378.429 -0.185 30 10 GBEE 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-0.023 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](O)C(F)(F)C3)CC2)c1 1346889172 KSHHLANKFFLMAN-ZDUSSCGKSA-N 379.367 -0.170 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1351221364 WBXITKQNBILVAD-OAHLLOKOSA-N 379.438 -0.917 30 10 GBEE CC(C)(C)N1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1351446696 ZPVMJZBLIPPUDL-UHFFFAOYSA-N 388.428 -0.853 30 10 GBEE N#C[C@]12CN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)C[C@H]1CS(=O)(=O)C2 1439793563 FEYUCRNUOQPKMU-BLLLJJGKSA-N 394.453 -0.362 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1539175516 ZSPLDAQCVWPISK-OPGVCCBYSA-N 383.412 -0.175 30 10 GBEE CN1CCn2ncc(C(=O)N(CCC#N)CCN3CCOCC3)c2S1(=O)=O 1544336790 FZSZZUIPUFPSMP-UHFFFAOYSA-N 396.473 -0.795 30 10 GBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1OC 1572950074 JUSDUJYUJFFBKP-ZNFSNMQZSA-N 380.441 -0.580 30 10 GBEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1624573389 QQTRJVCLYMEMNY-HOCLYGCPSA-N 382.428 -0.413 30 10 GBEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CC(O)(CC#N)C2)C1=O 1642833993 GWGFONRALDEGJG-SFHVURJKSA-N 385.424 -0.079 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3c(=O)[nH]ccn23)c1 1644892901 DTHFZKVFYSFMCW-UHFFFAOYSA-N 388.409 -0.188 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C[C@H](O)CC1(C#N)CCOCC1 1659616338 VGWKQMPIRUAPHL-MJBXVCDLSA-N 394.428 -0.775 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690659118 KESGMKLNRHUJAN-LBPRGKRZSA-N 391.432 -0.641 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)CC 1705573573 JRACVPBLDQIOJF-YEBMWUKDSA-N 385.515 -0.270 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1722351952 MJMXRCNSFKSWJT-CQSZACIVSA-N 393.473 -0.538 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)NC 1736486033 FLPKMRAQRJXFOG-BARDWOONSA-N 379.461 -0.366 30 10 GBEE C[C@H](C#N)N1CCN(C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 2197488542 LFIIRBMWMGJTRZ-LBTNJELSSA-N 382.461 -0.225 30 10 GBEE 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Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNC[C@H]1O 2282831221 GSBCCBJAKJLMSB-ZIAGYGMSSA-N 382.291 -0.095 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@](F)(CN)C1 2282850539 QHPWQTPKBWJWRA-AVCCJPFPSA-N 388.274 -0.173 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2snnc2C(=O)O)n1 2284385637 UKUKUDRNORISPU-UHFFFAOYSA-N 380.195 -0.084 30 10 GBEE Cc1nc(C(=O)NCC(=O)NCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284417115 GTCOARGOQBFDPP-UHFFFAOYSA-N 383.235 -0.319 30 10 GBEE CC(C)(C)OC(=O)N1CCN2CCOC[C@@]2(CNC(=O)C(=O)NCC#N)C1 2288233883 UCTHZBYGEDFZHM-QGZVFWFLSA-N 381.433 -0.936 30 10 GBEE C#CCN1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 121724000 RTTYXGXQOLKBSC-CQSZACIVSA-N 376.482 -0.138 30 10 GBEE CC[C@H](C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255266229 SPOQDEMWLUGCEW-RELRXRRDSA-N 389.448 -0.911 30 10 GBEE in-vitro COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)c1 409723795 VBSMZDCPWLVQPD-GFCCVEGCSA-N 392.441 -0.048 30 10 GBEE CNC(=O)Cn1cc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 471933713 LRNPBPUBAUFVQF-UHFFFAOYSA-N 385.432 -0.103 30 10 GBEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)N2CCOCC2)CC1 528338021 LNPOQBPYDOBBSO-SFHVURJKSA-N 388.468 -0.226 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)CC1 540266831 MMSVGNLSHHSHAE-UHFFFAOYSA-N 375.429 -0.921 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2(CN)CCOCC2)n1 599897118 GWFWYHKAYRNVPS-UHFFFAOYSA-N 386.387 0.446 30 10 GBEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(OCCO)CCOC2)cc1 658413812 ILBIDTLSYYZUGD-LJQANCHMSA-N 391.424 -0.175 30 10 GBEE C#CCN(CC(=O)N1C[C@H](C)[C@@H](O)[C@H](C)C1)CC(=O)N1C[C@H](C)[C@@H](O)[C@H](C)C1 824502092 CXMOGIHFCCQGNW-PELSRWGHSA-N 393.528 -0.128 30 10 GBEE C#C[C@H]1COCCN1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 839197565 BNTYUQIZOSMGKK-HNNXBMFYSA-N 382.420 -0.306 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 839596193 KJQUDBUEBDKKPM-ZDUSSCGKSA-N 377.422 -0.656 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN(C2CC2)C(=O)O1 847267060 QCZBPHOCIRQAEY-LLVKDONJSA-N 378.410 -0.176 30 10 GBEE C#C[C@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C1CCOCC1 852638145 AAZDSDQEKUHQJK-AWEZNQCLSA-N 390.444 -0.913 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CCCCN4)C3)CC2)c1C#N 926353340 SBYQLPZGLXEULS-FQEVSTJZSA-N 399.499 -0.007 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(O)(COCCO)CC2)CC1 1197921096 LBXNUISIOUFYHT-KRWDZBQOSA-N 382.505 -0.485 30 10 GBEE N#C[C@]12CN(CC(=O)NC[C@H]3Cc4ccccc4O3)C[C@H]1CS(=O)(=O)C2 1198337797 WLCXUHOKHWQMFO-HDMKZQKVSA-N 375.450 -0.024 30 10 GBEE N#Cc1nc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1Br 1219696583 FYDRLYGYIPAXTK-RKDXNWHRSA-N 375.204 -0.005 30 10 GBEE Cn1ncc(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)n1 1314932622 HZAXQFXSNWINTB-OAHLLOKOSA-N 399.459 -0.109 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)n1 1327723725 ZWJCHJBWBJHNID-HUUCEWRRSA-N 376.457 -0.033 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC(N(CCOC)CCOC)CC1 1331310373 FWQLCWUOOMMCPF-MRXNPFEDSA-N 381.473 -0.567 30 10 GBEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCN(S(=O)(=O)C2CC2)CC1 1338776041 VKTIQUIPLKFQMP-UKRRQHHQSA-N 396.517 -0.184 30 10 GBEE C=CCn1c(CN2CCCCC2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1355941533 JMJZNXPRNUULSG-CQSZACIVSA-N 381.506 -0.211 30 10 GBEE CN1CC(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1 1528969886 RENXMJHOYLTOKH-UHFFFAOYSA-N 376.482 -0.069 30 10 GBEE C=CCn1cc(C(=O)NC[C@H](C)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1532237931 VZCVOAIMNQLWNR-RZLSGREXSA-N 377.445 -0.002 30 10 GBEE COc1ncc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C#N 1627431236 AFXFEUJKAIHZIE-UHFFFAOYSA-N 382.446 -0.339 30 10 GBEE N#Cc1cn(CC(=O)NCC2CCN(C3CCOCC3)CC2)c(=O)nc1O 1632600291 NABJJLYCIXMPBS-UHFFFAOYSA-N 375.429 -0.172 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)cc1 1644940569 YZCSESALTZIMAU-ZDUSSCGKSA-N 399.494 -0.391 30 10 GBEE C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CCN1CC(=O)NCC#N 1689308276 WTWJUDUCOLRKPN-NCOADZHNSA-N 393.488 -0.915 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1748860572 YHCZCEIPWWEUNA-UONOGXRCSA-N 375.454 -0.468 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1772566550 FUOBVNVSQPMNGB-CQSZACIVSA-N 389.460 -0.364 30 10 GBEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)CCN1CCC#N 1856189880 YHJDMQRXKFCAFF-LSDHHAIUSA-N 386.456 -0.030 30 10 GBEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)CC(N)=O)sc2c1 1866106170 JEKPBJSGOKLVRV-VIFPVBQESA-N 383.455 -0.098 30 10 GBEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)N2CC[C@H](C#N)C2)(C(N)=O)C1 2118162174 HGMIEJZXEPSCQC-LLVKDONJSA-N 387.462 -0.611 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC[S@](C)=O 2267376056 QBCLOEQNMWSCQE-DEOSSOPVSA-N 391.324 -0.234 30 10 GBEE CNC(=O)[C@H]1CNCCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282029359 QZPXNNZFEMPKTE-LLVKDONJSA-N 380.279 -0.398 30 10 GBEE Cc1cc(C(=O)NC[C@@H]2NC[C@H](O)[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282128493 LVJNUHTYCUAGEI-GVXVVHGQSA-N 382.291 -0.221 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3nc(O)n[nH]3)c2)OC1(C)C 2282300547 HSAAJYGZCFIMQK-UHFFFAOYSA-N 381.223 -0.317 30 10 GBEE CN1C[C@@H](O)[C@H](NC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C1 2282551124 BFZXUIILOZUSFG-NXEZZACHSA-N 384.673 -0.223 30 10 GBEE Cn1ncc(C(=O)NCc2nnc(CO)s2)c1B1OC(C)(C)C(C)(C)O1 2282559023 MSCOTXOXGJIPQZ-UHFFFAOYSA-N 379.251 -0.007 30 10 GBEE C[C@H]1[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C 2282864202 CJOHCQSUZGRZMN-WDEREUQCSA-N 385.299 -0.515 30 10 GBEE C[C@H](O)[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284366852 AYVVGALOKMUEJW-IONNQARKSA-N 387.629 -0.064 30 10 GBEE Cc1nc(S(=O)(=O)N(O)CCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284408572 AMNQWPZSIQFMHJ-UHFFFAOYSA-N 389.239 -0.118 30 10 GBEE O=C(O)C=CC(=O)[C@@H]1C[C@H](NC(=O)CN2C(=O)c3ccccc3C2=O)CCN1 2328074100 PEHRIYIOOOJTEC-RISCZKNCSA-N 385.376 -0.271 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCO)C[C@H]1C 457104196 SPSCHARYXBKDIL-ZIAGYGMSSA-N 380.470 -0.250 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CCN1Cc1ccccc1 599445784 UICUNPZMGXHSOA-SJORKVTESA-N 399.451 -0.674 30 10 GBEE CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@]12C)c1csc(N)n1 616582433 GLIOPEUVOHXWBB-WINKIGDESA-N 397.438 -0.166 30 10 GBEE CC#CCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N=c2nc(C)[nH]n2C)c1 656370119 MZYDZQPFJRRBSY-UHFFFAOYSA-N 397.482 -0.010 30 10 GBEE C=CCOCCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 669267179 QBTOLNBVHYJQRD-CQSZACIVSA-N 377.445 -0.264 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 850605395 VKKRDVOUBBBWGH-HNNXBMFYSA-N 398.423 -0.345 30 10 GBEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 854766117 OBBMZYHVTBZGQB-OAHLLOKOSA-N 379.438 -0.737 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)CC1 859179119 JVNSCPYREKLTJF-GQCTYLIASA-N 379.438 -0.410 30 10 GBEE C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 910917120 WEUAZFCEKSMETD-ZDUSSCGKSA-N 393.440 -0.054 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 931879687 MQPCCYGAIRJDJT-OAHLLOKOSA-N 386.456 -0.943 30 10 GBEE C=CCn1c([C@H]2CCS(=O)(=O)N2)nnc1N1CCN(CCOCC)CC1 1121503008 ZSUHMIAWZFTXOE-CQSZACIVSA-N 384.506 -0.013 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1300538658 UAYNGXDQHDPWOX-HUUCEWRRSA-N 395.485 -0.281 30 10 GBEE CC1(C#N)CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1322803245 ZUMBNJYBBBHIOU-UHFFFAOYSA-N 388.515 -0.367 30 10 GBEE C=CC[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1332805337 DOSSDGXFHXHTIL-ZDUSSCGKSA-N 375.516 -0.094 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(C)n1 1539296065 KHNZBHUJXHUUOD-ZDUSSCGKSA-N 390.473 -0.472 30 10 GBEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1540198619 NYWCYWVZRNNELY-AWEZNQCLSA-N 392.460 -0.273 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1596831238 KQPJGNPYZFQUAK-OLZOCXBDSA-N 398.489 -0.268 30 10 GBEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 1628369916 GGWLCCYGRBKBKF-LLVKDONJSA-N 375.428 -0.177 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1cccnc1=O 1634867293 MNISWFJOBRZCQQ-UHFFFAOYSA-N 375.410 -0.512 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)nn(CCC(=O)OC)c2C)C1=O 1648047606 KVHXHYSAARAMOV-UHFFFAOYSA-N 391.384 -0.022 30 10 GBEE C#CC1(O)CN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 1653284832 WZCOHUOWKFUNEM-SJKOYZFVSA-N 384.454 -0.525 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1690668969 OZQOCFGAQQUKQH-HNNXBMFYSA-N 399.455 -0.098 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)N(C)C 1705551171 IEZPUIGPTWLTSF-GFCCVEGCSA-N 389.503 -0.859 30 10 GBEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)cc1 1865722516 UDYZZOVFSYAUHW-GFCCVEGCSA-N 384.392 -0.214 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 1962868781 PQAIFRZYBDWUEH-CYBMUJFWSA-N 388.490 -0.018 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(N)(C(N)=O)C2)OC1(C)C 2267368126 DUBYLHYAJCQMCE-UHFFFAOYSA-N 387.292 -0.766 30 10 GBEE COC[C@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267371946 HPQFHDZOXXOKSC-JTQLQIEISA-N 375.256 -0.995 30 10 GBEE Cc1nn(C)c(C(=O)N2CC(S(N)(=O)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2281989168 WJQAXCZZVIAXAA-UHFFFAOYSA-N 384.267 -0.859 30 10 GBEE C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282297440 FKMXEEPGCQDWOY-QWRGUYRKSA-N 385.299 -0.385 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H](O)C1(C)C 2282304373 JXKJTUNDJYTCMO-NXEZZACHSA-N 386.283 -0.448 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](O)[C@@H](CO)C3)cc2)OC1(C)C 2282352168 KUTKSKXYKZNGPM-IUODEOHRSA-N 383.275 -0.041 30 10 GBEE C=C(C)COCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282421760 SAPQKZGLGGDQCU-UHFFFAOYSA-N 386.283 -0.015 30 10 GBEE Cc1c(C(=O)NC[C@@H]2CCS2(=O)=O)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592212 AFSXBQHJQIUWSW-NSHDSACASA-N 383.279 -0.055 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@H]3CNC[C@H]3O)c2)OC1(C)C 2282867622 BJFPSWGRNQBXIO-SWLSCSKDSA-N 382.291 -0.156 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H](CCO)C(=O)O)c2)OC1(C)C 2284412677 WZAUGKVQKILPGJ-GFCCVEGCSA-N 386.235 -0.505 30 10 GBEE COc1ccc(/C=C\C(=O)[C@H](C#N)C(N)=O)cc1S(=O)(=O)N1CCOCC1 102780376 DWXJUCNVDQQJPV-LSYFEZSPSA-N 393.421 -0.077 30 10 GBEE CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 287124853 VUCBWWAMZLGQFD-OAHLLOKOSA-N 384.440 -0.273 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 365674083 CFQFZUAWSYSMNT-JGGQBBKZSA-N 376.438 -0.051 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CCCO)CC(C)(C)C)CC1 410516001 RGPZCVGJLRENLT-UHFFFAOYSA-N 382.505 -0.310 30 10 GBEE COCCN(C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@H]1CCOC1 410861547 LJZSNMZKBBKPGW-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H](C)O)C3)CC2)c1C#N 414593826 FBPZMFZPZJUMFU-OCCSQVGLSA-N 393.469 -0.420 30 10 GBEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](CO)CN3CCOCC3)CC2)o1 550132555 OXGDCICEARKFMD-HNNXBMFYSA-N 377.445 -0.120 30 10 GBEE CN([C@H]1CCNC1=O)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 584665621 UBAIIAJZFLBOHS-ZDUSSCGKSA-N 398.466 -0.470 30 10 GBEE CO[C@]1(CO)CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 595657606 CTPBNLJNOWJKFW-GOSISDBHSA-N 377.445 -0.023 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(COC)c1C 788599487 AOOCHKPUWWQZBV-CYBMUJFWSA-N 375.472 -0.085 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC[S@@](C)=O)c1 848955209 XKJLQBPCGWQGHT-KPWVOAKYSA-N 393.512 -0.124 30 10 GBEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)n1 856588940 IUIKTADUYRNFIG-IUODEOHRSA-N 385.446 -0.529 30 10 GBEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)C1 863771247 HXGPTCKFLITGRI-QWQRMKEZSA-N 375.429 -0.468 30 10 GBEE C#CCCCc1nnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1C 908537091 APEAFXKIKQOCRI-UHFFFAOYSA-N 382.490 -0.530 30 10 GBEE C#CCN1CCN(C(=O)CN2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1 933841607 SZGLNTSQWDKVEK-FQEVSTJZSA-N 377.485 -0.066 30 10 GBEE N#CC1(CNC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CCCCC1 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30 10 GBEE Cc1c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cnn1CCC#N 1587525991 MPBNHBGPSPHZGX-UHFFFAOYSA-N 388.428 -0.752 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnc3ccccc3c2O)CC1 1588199005 FBMWBBYGGYQJHT-UHFFFAOYSA-N 375.410 -0.439 30 10 GBEE N#C[C@]12CN(C(=O)c3ccc(S(N)(=O)=O)cc3F)C[C@H]1CS(=O)(=O)C2 1639821466 FIGMBQHTMXARPR-LKFCYVNXSA-N 387.414 -0.517 30 10 GBEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690022554 JBYGJLRZNXCFMV-IBGZPJMESA-N 399.476 -0.114 30 10 GBEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNS(C)(=O)=O 1693488656 FYYYWRZMBNUDRE-UHFFFAOYSA-N 377.430 -0.329 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCS(C)(=O)=O 1722343515 CIAKSPUSEZHJMV-LLVKDONJSA-N 377.492 -0.608 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2ccnn2)CC1 1740689727 ZMXXKETWYWUNPX-UHFFFAOYSA-N 397.487 -0.049 30 10 GBEE C[C@@H](CCC#N)N1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)C1(C)C 1856710018 JNZPRVJVXDIQGZ-LBPRGKRZSA-N 375.429 -0.161 30 10 GBEE N#CC1CCN([C@@H]2CCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2=O)CC1 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30 10 GBEE C#CCN(CC(=O)N1C[C@@H]2COC[C@]2(C)C1)CC(=O)N1C[C@@H]2COC[C@@]2(C)C1 824561741 XZFZOVNHOXJCSD-DGQTTZFYSA-N 389.496 -0.089 30 10 GBEE C[C@@H](C#N)CN(C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C1CC1 1116715698 OGLPRKPLXZRTDC-ZDUSSCGKSA-N 389.460 -0.350 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1118616707 VZTLFIUUVMYOON-NWWZDDMOSA-N 398.366 -0.441 30 10 GBEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)[C@@H]1CCOC[C@H]1OC 1262944353 NXQUTCBVLXUIDU-ZIAGYGMSSA-N 390.444 -0.231 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](CC)CN1CCOCC1)c1cc[nH]n1 1303790877 PJUZGMZHUIMLMC-CYBMUJFWSA-N 381.433 -0.080 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1321408518 CINAJKPESWLIAL-HZPDHXFCSA-N 399.513 -0.892 30 10 GBEE Cc1nccn1C[C@@H](C)CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1321943726 GCBWQQNSUNTVNN-VVLLMFOMSA-N 388.428 -0.414 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1325462769 RPQMYQJZKJRIPC-CQSZACIVSA-N 379.438 -0.586 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCC(C)(C)S(C)(=O)=O 1327506062 HPINVHOMICQBMV-CQSZACIVSA-N 381.454 -0.011 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)CC1 1335163749 HJETXGZLHXUXKS-RDJZCZTQSA-N 391.468 -0.372 30 10 GBEE CN(C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C(=O)c1c[nH]c(C#N)c1 1338477845 MUPLLXDSKCRUDW-DRPJVOAASA-N 376.413 -0.513 30 10 GBEE C#CCN1CCC(c2nnc(N3C[C@@H](C)[C@H](CS(N)(=O)=O)C3)n2C)CC1 1341469295 SFRIZRXIZRZHOD-HIFRSBDPSA-N 380.518 -0.012 30 10 GBEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)CCn3cc(C#N)c(O)nc3=O)CCO2)O1 1455474020 XIVNGLNXMDKRNY-STQMWFEESA-N 378.385 -0.410 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 1507723336 DLHHZRLFUBSIQG-OAHLLOKOSA-N 376.461 -0.617 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc2ncccn2n1 1522154942 SGRKJBNNBSHIHY-ILXRZTDVSA-N 382.424 -0.045 30 10 GBEE C=CC1(CC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 1557691698 BMHGANDQPMDMPQ-RYUDHWBXSA-N 380.445 -0.155 30 10 GBEE CN(C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1)S(C)(=O)=O 1631350005 ICWWHQGLHCLLNB-UHFFFAOYSA-N 383.430 -0.907 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)C1=O 1636306895 AVZXNCOKLNDTDW-KGLIPLIRSA-N 378.429 -0.543 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2CNC(=O)NC)c1 1636363333 PKXGJWQMPZPOKK-AWEZNQCLSA-N 396.469 -0.079 30 10 GBEE N#CCCN(CCC#N)C(=O)CN1CCN(C[C@H]2CCCS2(=O)=O)CC1 1648036103 ZBJCYJFWPXYHMR-MRXNPFEDSA-N 381.502 -0.163 30 10 GBEE Cn1cnnc1COCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1685964258 WYWURLREYNDFCO-AGIUHOORSA-N 378.458 -0.163 30 10 GBEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCN(C)C2)CC1 1690120047 DJGFXNODLJKSDE-LJQANCHMSA-N 382.472 -0.443 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCS(C)(=O)=O)nn1 1702925848 SSTJYMUFABEOMX-DYEKYZERSA-N 381.458 -0.240 30 10 GBEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1728816185 HTKQMJFWLNWLAH-HBUWYVDXSA-N 390.444 -0.062 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc2nccn2c1 1736566905 UXOWVTXCCMLCST-KFWWJZLASA-N 380.408 -0.270 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 1740349444 JWGKSBMJBHTOJV-OVNJVVJPSA-N 376.413 -0.325 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)F 1740642359 VRGPUHBBBBJAGE-UHFFFAOYSA-N 378.383 -0.145 30 10 GBEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1749498798 JCOMTLNUOYMXLN-UHFFFAOYSA-N 397.501 -0.038 30 10 GBEE O=C(CCNS(=O)(=O)c1ccccc1F)NCC#CCN1CCOCC1 1850334633 MPHWEWZCGZBAAC-UHFFFAOYSA-N 383.445 -0.054 30 10 GBEE C=CCN(CC=C)c1nc(NC(=O)CNC(C)=O)n([C@@H]2CCS(=O)(=O)C2)n1 1870004949 QWGJJNFNTWRYNX-CYBMUJFWSA-N 396.473 -0.109 30 10 GBEE C=C[C@]1(CO)COCCN1C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2199849646 VJVFFQYJKCJHNZ-DOPJRALCSA-N 386.445 -0.505 30 10 GBEE CN1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(=O)N1 2267718742 XHFQXYABRBEACM-SNVBAGLBSA-N 387.292 -0.329 30 10 GBEE 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GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3C[C@H]4CC[C@H]3CN4)C2=O)cc1 422955295 LQHKLMHOVVFOIW-IXDOHACOSA-N 381.436 -0.262 30 10 GBEE C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460606414 MFGPKBPSFAXPTG-CYBMUJFWSA-N 383.412 -0.086 30 10 GBEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 469570004 CKIJFXLMEJNSTI-LJQANCHMSA-N 396.407 0.404 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 570127567 ZYCXDSLVKWTWPN-LSDHHAIUSA-N 377.489 -0.826 30 10 GBEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC3(N)CCOCC3)C2=O)cc1 599942324 AKVQFTWDTAMLOA-MRXNPFEDSA-N 399.451 -0.206 30 10 GBEE O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 820185275 LMKPADAKWPWPTO-ZIAGYGMSSA-N 387.396 -0.358 30 10 GBEE C#CCN(C(=O)CN1CCOCC1)C1CCN(C(=O)CN2CCOCC2)CC1 831550204 BRZYYEDIGZQIJV-UHFFFAOYSA-N 392.500 -0.896 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1)C1CCN(C)CC1 910884469 CULHBOGKKADSMW-UHFFFAOYSA-N 388.390 -0.225 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(-c3nncnn3)cc2)C1=O 1261519106 LSCSNKAHSPIXMZ-HNNXBMFYSA-N 395.423 -0.205 30 10 GBEE C=CCNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1267653765 COWLHZHYTOVEML-NZBPQXDJSA-N 380.445 -0.761 30 10 GBEE C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 1291828383 UAMLVJOMWPPPKV-PMPSAXMXSA-N 378.473 -0.351 30 10 GBEE CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1299310271 AEZDADQTYHEUTG-BLLLJJGKSA-N 395.489 -0.092 30 10 GBEE CCOC1(C)CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1329874395 UWIBNQLLIZYWJV-UHFFFAOYSA-N 389.412 -0.379 30 10 GBEE C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1340207422 PKHRZEFRIXEAKU-KBPBESRZSA-N 381.506 -0.388 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)C1 1351433339 NPHRFORZAJAHEG-JXFKEZNVSA-N 391.468 -0.275 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359301067 QVTHFUHAWRTFQY-KBPBESRZSA-N 389.460 -0.360 30 10 GBEE C=CCn1cc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)nn1 1557105934 YEADBELVFMOCDU-HNNXBMFYSA-N 388.403 -0.178 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2nn[nH]n2)C1 1558077385 AGFMDLZOAVBIFH-JTQLQIEISA-N 375.414 -0.356 30 10 GBEE CNC(=O)N1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1618824983 WBFIMQBJVLUGKT-CCEZHUSRSA-N 388.432 -0.426 30 10 GBEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1689942848 DYLCNMVQHHIEFI-AWEZNQCLSA-N 376.461 -0.019 30 10 GBEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1740671957 SJUYVMYBDHPPMN-AWEZNQCLSA-N 395.485 -0.502 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)NC2CN(S(C)(=O)=O)C2)OC1(C)C 2267171098 FFHRBUWHIWVECW-UHFFFAOYSA-N 387.292 -0.184 30 10 GBEE COC[C@@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267371947 HPQFHDZOXXOKSC-SNVBAGLBSA-N 375.256 -0.995 30 10 GBEE COC(=O)[C@@H](O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267722875 ZQHRPHPFRTZLHF-JTQLQIEISA-N 391.276 -0.141 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 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30 10 GBEE C#CCSCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1332646342 QPMMOGHEUZJFHZ-INIZCTEOSA-N 376.482 -0.119 30 10 GBEE CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1337961026 MEEPIAJNNOYOPR-UHFFFAOYSA-N 390.425 -0.029 30 10 GBEE C[C@@]1(c2cccc(CNC(=O)C(=O)N3CC[C@](F)(C#N)C3)c2)NC(=O)NC1=O 1341431299 IBMJWOPPPRGXRF-ROUUACIJSA-N 387.371 -0.178 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CC1 1358938252 VJTKEYLHVRXBKK-NSHDSACASA-N 389.503 -0.465 30 10 GBEE C#CCN(c1nnc(CC)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 1358964485 ZWPDCBXRLHXVGK-LBPRGKRZSA-N 389.503 -0.984 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC2CCOCC2)C(=O)OC)C1=O 1462496068 ZKNVYAHIHPCMGX-LBPRGKRZSA-N 381.385 -0.562 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@H]1O 1489402391 DZORDTDOPYABMX-TUVASFSCSA-N 393.465 -0.243 30 10 GBEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503116727 FLVHHLZPDZGIAU-ZIAGYGMSSA-N 398.489 -0.175 30 10 GBEE N#C[C@]12CN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C[C@H]1CS(=O)(=O)C2 1538765889 NMFPKZLGAIEZLS-GXTWGEPZSA-N 387.483 -0.659 30 10 GBEE C=CCOC[C@@H](NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)OC 1635159125 TUHUANBIOPWWRN-CVEARBPZSA-N 397.472 -0.440 30 10 GBEE C#CCN(c1nnc(C2CCC2)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1689988156 KEWFXUXJSFATGE-ZDUSSCGKSA-N 390.473 -0.256 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1nnnn1CC1CC1 1705571983 NBMDCABPEGRVGP-UHFFFAOYSA-N 381.444 -0.066 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)CN3CCCS3(=O)=O)C(=O)C2)c(F)c1 1854323614 HYTBGILIISYYOU-UHFFFAOYSA-N 394.428 -0.096 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1858422201 OHSBYLUJKVIOSK-UONOGXRCSA-N 397.478 -0.128 30 10 GBEE C#CC1(O)CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CC1 1890722301 RYCXNJBCJZSZHV-ZDUSSCGKSA-N 386.470 -0.089 30 10 GBEE CC1(C)OB(c2ncc(CNS(=O)(=O)N3CC[C@H](O)C3)s2)OC1(C)C 1914069839 ZNPUNBHZOKXUNI-JTQLQIEISA-N 389.308 -0.157 30 10 GBEE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2C(=O)C(=O)NCC#N)C1 2174818916 FXHYKMAQFSTEPH-QGZVFWFLSA-N 382.417 -0.509 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC(C(=O)O)C(=O)O)OC1(C)C 2269039515 UGAUTQWXSOGOCH-UHFFFAOYSA-N 391.232 -0.137 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2281960333 YCYHNZXUJDNXDO-ZYHUDNBSSA-N 383.279 -0.118 30 10 GBEE CCS(=O)(=O)NC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281986519 TUWOAZLQGYKVHT-UHFFFAOYSA-N 384.267 -0.527 30 10 GBEE CCOCC1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282291564 JENJXNMQGLFRKI-UHFFFAOYSA-N 386.283 -0.229 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1COCC1(F)F 2282320982 PZAWZDFGSDVARF-QMMMGPOBSA-N 394.209 -0.573 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H](C(N)=O)C3CC3)c2)OC1(C)C 2282331622 PRLGWBVYZWRUEN-ZDUSSCGKSA-N 381.263 -0.077 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](F)[C@@H](CO)C1 2282333107 KRHNIHNUKUIJFZ-GHMZBOCLSA-N 389.258 -0.330 30 10 GBEE COC(=O)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282421351 MRHNEBUNZMBTJQ-UHFFFAOYSA-N 385.251 -0.487 30 10 GBEE COC(=O)[C@@H](C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282505723 IDFHGMVHFZYCRM-SECBINFHSA-N 387.267 -0.132 30 10 GBEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282641300 YULGZDHFCJMZAL-QWHCGFSZSA-N 384.263 -0.144 30 10 GBEE Cc1nc(S(=O)(=O)N(CCO)CCO)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873428 LHTWAUBCKRDIQU-UHFFFAOYSA-N 389.283 -0.997 30 10 GBEE CC1(C)OB(c2cnc(NC[C@@H]3CCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204884227 FTNLGWXJFGSMAO-GXTWGEPZSA-N 392.265 -0.611 30 10 GBEE CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@](C)(O)C1 349549250 YPPPQLSZKXHEQI-KWCYVHTRSA-N 379.504 -0.179 30 10 GBEE Cn1[nH]c([C@H]2CCCN2CC#CCN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)nc1=N 625392931 ZQNGZLWENWYFIJ-ZIAGYGMSSA-N 384.492 -0.254 30 10 GBEE C#CCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 731213780 RYCNUKOFFLURBG-KBPBESRZSA-N 376.434 -0.234 30 10 GBEE CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H](O)c1cccc(C#N)c1 844370640 RVFDYTNFZCIKHR-INIZCTEOSA-N 382.486 -0.079 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 885162247 MDVHZCLDZRRYAI-GOSISDBHSA-N 399.495 -0.737 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1117987753 HQFZUKKCMAMDTC-QGZVFWFLSA-N 390.484 -0.606 30 10 GBEE CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N2Cc3ccc(C#N)cc3C2)C1 1118399987 JIPAMNVQWFDEBK-OAHLLOKOSA-N 376.438 -0.059 30 10 GBEE CS(=O)(=O)NCC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1140499170 FUQPJFDNXHSYBM-FOCLMDBBSA-N 384.458 -0.309 30 10 GBEE C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OC 1299179367 QFLBZQOUOORLKP-CQSZACIVSA-N 395.437 -0.535 30 10 GBEE CN1CCC[C@H](N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1318869503 DNHWXOANXGYIAI-DVEDPGPFSA-N 390.488 -0.066 30 10 GBEE COc1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1C#N 1333821284 XXZVTJVONWUHEB-GFCCVEGCSA-N 394.453 -0.325 30 10 GBEE C=CCn1c(Cc2cscn2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1339023067 UGGLCFYNNHLWAE-GFCCVEGCSA-N 381.487 -0.150 30 10 GBEE C=C(C)Cn1c(C[C@@H]2SCCNC2=O)nnc1N1CCS(=O)(=O)CC1 1346407243 KBCGWQINDRUUAS-LBPRGKRZSA-N 385.515 -0.137 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(O)nc1=O 1347506684 ATMSFSDMFZPPIB-SDFXEEBMSA-N 376.413 -0.476 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1CC 1347658218 OJIULBYBVBFYRZ-WCVJEAGWSA-N 376.457 -0.905 30 10 GBEE CNC(=O)[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1447561254 VTAROMWUELYZNU-CABCVRRESA-N 399.407 -0.263 30 10 GBEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NCCn3cc(C#N)c(O)nc3=O)O2)CO1 1471379534 ALRBQAZEIOGAOC-BTJLNZGRSA-N 377.401 -0.154 30 10 GBEE CC#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1490829610 HZGFMKFQSATBSS-OAGGEKHMSA-N 376.457 -0.320 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCOCCS(C)(=O)=O 1507514020 LTXTXADGVLOSOU-CYBMUJFWSA-N 385.490 -0.065 30 10 GBEE C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)NC(=O)Cn1cnnn1 1522128674 VLLXZMATSPWZOG-CRWXNKLISA-N 375.433 -0.608 30 10 GBEE C=C(C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1558111063 YYAGICHMCUAGRQ-GFCCVEGCSA-N 390.483 -0.188 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1=O 1586025209 TZUCUCIEEAHZQR-MNOVXSKESA-N 396.400 -0.940 30 10 GBEE CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1622469422 BVRVBGOWJPQYBJ-UHFFFAOYSA-N 386.499 -0.099 30 10 GBEE N#Cc1cn(CCC(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)c(=O)nc1O 1644149737 KPSCBFADTMADNW-HUUCEWRRSA-N 375.429 -0.295 30 10 GBEE C=C[C@](C)(O)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1678387264 WTAVRAKUASZFKX-KMCQBPLKSA-N 382.457 -0.555 30 10 GBEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705641589 LRRDCULFBAUNED-GOSISDBHSA-N 393.513 -0.465 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1705932262 QXYUZPHMCDWTJX-LBPRGKRZSA-N 393.473 -0.409 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2cncn2C)C1=O 1857143034 AWPSEWMCWLNHKS-CQSZACIVSA-N 380.412 -0.357 30 10 GBEE CC1(C)OB(c2nc(=NS(=O)(=O)N3CCC(O)CC3)s[nH]2)OC1(C)C 2110101805 XQHIBWVUMKBEHR-UHFFFAOYSA-N 390.296 -0.627 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N2CC3(C2)OC[C@@H](O)[C@@H]3O)OC1(C)C 2281799597 XUONUIWVMBBVDU-OLZOCXBDSA-N 381.259 -0.006 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 2282183395 GIUNXKBSTWNUPU-LBPRGKRZSA-N 383.279 -0.173 30 10 GBEE C=CCC[C@@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282292262 SEJFWIWERSQCGN-NSHDSACASA-N 386.283 -0.280 30 10 GBEE Cc1cc(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n(C)n1 2282319452 SZEZPBKOZJPFHO-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(C)(C)[C@@H]1CO 2282839355 CINMSTAYFXFBSN-JTQLQIEISA-N 386.283 -0.494 30 10 GBEE CN1CC[C@@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282839680 HMQGNWBFZJRPSL-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE Cc1nc(S(=O)(=O)NC[C@H]2CCNC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843318 LNFCELXMLGUJJG-LBPRGKRZSA-N 384.311 -0.084 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CC(CO)C1 2282860068 VFHVSWKKPGXFDZ-UHFFFAOYSA-N 386.283 -0.589 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H](CO)C(=O)O)OC1(C)C 2284409347 HZGHGGTUFZQERA-CYBMUJFWSA-N 385.247 -0.149 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CC(=O)NC[C@H]2C(=O)O)OC1(C)C 2284492262 MCPFTNUWHSLTPJ-VIFPVBQESA-N 381.219 -0.533 30 10 GBEE CC1(C)OB(c2nscc2C(=O)NCc2noc(C(N)=O)n2)OC1(C)C 2285844046 HPIJGVHKNVDUBG-UHFFFAOYSA-N 379.207 -0.146 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 170899110 BKRQMAYCOUACQR-UHFFFAOYSA-N 381.436 -0.320 30 10 GBEE CCN(CC)S(=O)(=O)CCN/C(=N/C)N1CCS(=O)(=O)C(C)(C)C1 261932447 BQCAPRAPYAZZQS-UHFFFAOYSA-N 382.552 -0.258 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCSCC1 349531171 GLHOYGCHXPICKC-ZDUSSCGKSA-N 397.544 -0.301 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1=O 363005170 VLAMNKWSCVVFHK-CQSZACIVSA-N 378.429 -0.324 30 10 GBEE COCCCn1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 546196064 DSNRDXFXCREJJL-UHFFFAOYSA-N 397.439 0.474 30 10 GBEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC1=O 568719423 XLXBUEWAIYVUEL-HZPDHXFCSA-N 375.473 -0.096 30 10 GBEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586862001 GLWSNAMJMFABEO-CYBMUJFWSA-N 382.417 -0.146 30 10 GBEE N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 595963642 BXYBNYVEZYKPEE-CYBMUJFWSA-N 392.528 -0.177 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC(CCOC)CC2)CC1 625375792 CBGSCKSSWXWPCH-UHFFFAOYSA-N 380.489 -0.292 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC(O)(CC)CC2)CC1 685251870 KKKIHVMRRDPJRW-UHFFFAOYSA-N 380.489 -0.367 30 10 GBEE N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 848970096 MCGSBSLFFUXRBQ-GFCCVEGCSA-N 394.475 -0.934 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)nn1 1118162886 SKDRIGFMENLNSY-CQSZACIVSA-N 388.350 -0.393 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2ncnc(O)c2Br)CC1 1140133192 VVVPXAFRSDCWPX-UHFFFAOYSA-N 382.218 -0.548 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2nncn2C)s1 1148320706 HIVVXMANEFNBLY-LLVKDONJSA-N 385.471 -0.267 30 10 GBEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1301423919 DQNPSOZXOMHFQB-CYBMUJFWSA-N 395.489 -0.004 30 10 GBEE C[C@]1(C2CC2)CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 1328847509 CVCJILIAARVXLI-GOSISDBHSA-N 387.396 -0.769 30 10 GBEE CN(C)C(=O)Cn1cc(NC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cn1 1329659760 RLBAXZMGOLPKTD-INIZCTEOSA-N 398.423 -0.027 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H](C)CCC(=O)OC(C)C)[C@@H]1CCS(=O)(=O)C1 1329943365 VQWURJWHRLDKOF-UONOGXRCSA-N 386.470 -0.128 30 10 GBEE N#Cc1cn(C2CN(C(=O)c3ccn(CCn4cccn4)n3)C2)c(=O)nc1O 1330246479 IKVWZTUEDKHVNJ-UHFFFAOYSA-N 380.368 -0.389 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CO)CN2CCOCC2)c1 1464282400 AEPRBCVXOZXYHM-HNNXBMFYSA-N 383.470 -0.426 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1569150701 KARXZTJTQJKCKH-OAHLLOKOSA-N 388.467 -0.570 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(C)=O)C1 1595537471 RRDXQDAXCFMJMT-UONOGXRCSA-N 389.460 -0.364 30 10 GBEE CCOC(=O)CON=C(C(=O)NC[C@H](C)CN1CCOCC1)c1cc[nH]n1 1634351484 UGFKJYFZWPDEAK-ZDUSSCGKSA-N 381.433 -0.222 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@@H]2C1 1702657404 QNOVMLUGWJAFNB-BARDWOONSA-N 385.486 -0.566 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC 1740671316 DLTGAOZZCKLLIF-GFCCVEGCSA-N 389.503 -0.811 30 10 GBEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(S(=O)(=O)N2CC[C@H](C#N)C2)C1 2118169494 XLCLNEZGUYGVEX-LLVKDONJSA-N 387.462 -0.517 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CCS(=O)(=O)CCN2)OC1(C)C 2267169254 JFBWKCOLIIXTIO-UHFFFAOYSA-N 387.292 -0.183 30 10 GBEE Cn1ccc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)n1 2282332833 GYILYCFEVADXKH-UHFFFAOYSA-N 381.267 -0.069 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H](O)C(N)=O 2282504705 SLCAVOONIYUFIQ-GFCCVEGCSA-N 384.263 -0.581 30 10 GBEE Cc1nc(=NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)n(C)[nH]1 2282832152 KLWLCKYFDMNGOT-UHFFFAOYSA-N 382.255 -0.621 30 10 GBEE COC[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)OC 2282838113 ZXIVXNRTPMLPCP-JTQLQIEISA-N 390.271 -0.946 30 10 GBEE CN(C)S(=O)(=O)CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283063324 VSDPFFCTOBXVAI-UHFFFAOYSA-N 384.267 -0.603 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC(=O)NC[C@H]3C(=O)O)ns2)OC1(C)C 2284342348 WZMNANJBSBDNPT-VIFPVBQESA-N 381.219 -0.533 30 10 GBEE C=CC[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284403414 PVQDOLBLLIQHDF-SECBINFHSA-N 386.239 -0.578 30 10 GBEE Cc1scc(C(=O)NC[C@@H]2NC[C@H](O)[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2369536258 LWUOWBXZSPSAJM-SGMGOOAPSA-N 382.291 -0.221 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 114921311 RQLOZWKHVXLCJW-SFHVURJKSA-N 394.564 -0.112 30 10 GBEE Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 268069358 CCMCIJWWPHUPQB-UHFFFAOYSA-N 389.441 -0.686 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)C1=O 452267124 UWMLKFLQERJKTA-NSHDSACASA-N 379.369 -0.999 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1=O 497717802 VEKGNYCDPDHGBJ-ZBFHGGJFSA-N 388.472 -0.250 30 10 GBEE N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)C2)c(=O)nc1O 530266515 KNFVKIAGMOJPKB-QMMMGPOBSA-N 385.302 -0.385 30 10 GBEE COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 581559102 MSGHMCGKJPHVFC-NSHDSACASA-N 387.439 -0.328 30 10 GBEE C#CCN(C(=O)c1sc(S(N)(=O)=O)cc1C)[C@@H]1CCS(=O)(=O)C1 729335911 XHDHJJKYAUYJAC-SNVBAGLBSA-N 376.481 -0.034 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccnc(N(C)C)n2)n1 808867917 KPEJEMZSTXNUFY-UHFFFAOYSA-N 399.455 -0.336 30 10 GBEE CN(CC(=O)N1CCN(C(=O)CC#N)CC1)C1=NS(=O)(=O)c2ccccc21 847579918 SZXXMBKPBCMLMP-UHFFFAOYSA-N 389.437 -0.348 30 10 GBEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCC(=O)NCC#N)N2C(=O)OC(C)(C)C 863916004 MMDPAGBAKIUOSZ-AUZPSNTRSA-N 394.428 -0.071 30 10 GBEE C[C@@H](CNC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CN1CCN(C)CC1 920460963 LWPPZZRFXDXKJY-ZMSDIMECSA-N 383.518 -0.550 30 10 GBEE C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2OC)nn1 941842411 ALGPUOWPOIXYPS-ZNEHSRBWSA-N 385.428 -0.054 30 10 GBEE C#CCN(C(=O)C(=O)NCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1117193739 GGEGDJALQYLPIQ-NSHDSACASA-N 383.392 -0.754 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 1117873436 KCTDQRQZZLPRAP-HUUCEWRRSA-N 399.455 -0.035 30 10 GBEE CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)CC1 1329166624 LLIJHNGTTRQYSF-UHFFFAOYSA-N 385.490 -0.473 30 10 GBEE C#CC[C@@H](NC(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1ccccc1 1333872506 AVBUUZJRGHGTOH-HUUCEWRRSA-N 376.438 -0.772 30 10 GBEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 1337447602 DBCVWPHWXMRWFB-UHFFFAOYSA-N 388.428 -0.167 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1344702569 MVQCKPKFDSSURM-HNNXBMFYSA-N 392.456 -0.917 30 10 GBEE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191417 FIUDECOAUDOIHS-ABYLEIOUSA-N 383.470 -0.561 30 10 GBEE COC(=O)C1(C#N)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 1622130442 DEBQGVLBPBWRMH-UHFFFAOYSA-N 381.476 -0.624 30 10 GBEE C#CC1(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 1630039293 QURSNDNBKGJIOJ-GFCCVEGCSA-N 379.438 -0.561 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)CC)c2)CC1 1632960575 KCGYSJQABBNUFW-UHFFFAOYSA-N 399.494 -0.294 30 10 GBEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705901786 WOZXXJLUJZSFGM-UHFFFAOYSA-N 375.477 -0.332 30 10 GBEE C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)NC(=O)Cn1cnnn1 1740341132 VLLXZMATSPWZOG-DGAVXFQQSA-N 375.433 -0.608 30 10 GBEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 1740782909 XPMXYCIZBBJIJN-LBPRGKRZSA-N 384.462 -0.877 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740957690 XNCWZWRIJJYJKE-AWEZNQCLSA-N 382.428 -0.144 30 10 GBEE C=CCN1CC[C@@H](N2CCN(C(=O)Cn3nnc4ccccc4c3=O)C(=O)C2)C1 1853715845 HPPQYQGOCZJNCR-OAHLLOKOSA-N 396.451 -0.277 30 10 GBEE N#C[C@H]1CNCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249434865 HLWSENKMLXUUAS-UONOGXRCSA-N 396.425 -0.507 30 10 GBEE CC[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC 2282505967 LOMPQKODXXKZDR-LLVKDONJSA-N 387.267 -0.051 30 10 GBEE CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854144 NXKYVYSTHIBEPS-VXGBXAGGSA-N 387.267 -0.901 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCO[C@H](C#N)C1 2282868108 IWGLSXWRTYMOGO-SNVBAGLBSA-N 383.239 -0.973 30 10 GBEE Cn1nc(C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 2361652485 BOTBDIUNYVETEA-PWSUYJOCSA-N 381.263 -0.412 30 10 GBEE CC#CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 276197453 NFKIQFXZYNCEDC-UHFFFAOYSA-N 378.454 -0.299 30 10 GBEE C[C@@H](/N=C(/O)Cn1cnc2ccccc2c1=O)C(=O)N1CCS(=O)(=O)CC1 329177000 MRDMFYOSLXAXJB-GFCCVEGCSA-N 392.437 -0.002 30 10 GBEE Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)O)C3)CC2)c1C#N 414593823 FBPZMFZPZJUMFU-JSGCOSHPSA-N 393.469 -0.420 30 10 GBEE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 422102274 MSIQGQUKRTWEON-KRWDZBQOSA-N 383.452 -0.203 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)n(C)c2)CC1 545467858 GAOJBNCKEJSMGN-UHFFFAOYSA-N 398.485 -0.190 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCN1Cc1ccccc1 594532632 DNBKXPRCWSDJKJ-GBESFXJTSA-N 397.479 -0.500 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCNC2=O)c1 595954186 HVJRTUMEZUDERZ-MFKMUULPSA-N 386.455 -0.614 30 10 GBEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 600799018 YGADOZHBPCWVOB-UHFFFAOYSA-N 398.467 -0.314 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(OC)cc2)CC1 761029425 PLILFYZNRAIRBB-UHFFFAOYSA-N 380.470 -0.603 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCOC[C@H]2OCC)n1 807129703 DFBGCTFVYMAWSP-IAGOWNOFSA-N 392.456 -0.199 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 831561201 QIWMIXPHMSTSAQ-UHFFFAOYSA-N 388.449 -0.387 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nncn3C)CC2)cc1 848307573 WUONXWXJAVHJHV-UHFFFAOYSA-N 388.453 -0.311 30 10 GBEE C=C1[C@H](C(=O)N2CCC(CO)(OC)CC2)[C@H]1C(=O)N1CCC(CO)(OC)CC1 907791612 SVJIIKVPLBEJAT-HOTGVXAUSA-N 396.484 -0.212 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)n1 1118522490 WCMQVANMVXPIJI-UHFFFAOYSA-N 399.451 -0.112 30 10 GBEE C=C1CCC(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 1119757134 GLXZYDOBOLIHBA-UHFFFAOYSA-N 386.518 -0.458 30 10 GBEE C#CCC[C@H](O)CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1256204190 VJWATEGLIFLOGW-CWVKQELPSA-N 386.470 -0.041 30 10 GBEE C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]12 1280696831 GSZGNWOJONLJBZ-ZRLASGMHSA-N 376.453 -0.102 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1282748634 VLOPWOLKYKBCAR-SFTQSGBHSA-N 376.417 -0.784 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCc2nnc(O)n2C1 1282753080 KXKVHXNNSQVFCJ-SYQHCUMBSA-N 375.429 -0.003 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1301429269 PGDBPIIGBVOHJE-LLVKDONJSA-N 393.473 -0.269 30 10 GBEE CS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1316361757 DYWHXVWYYMCRPP-STQMWFEESA-N 384.462 -0.202 30 10 GBEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1328395678 XITIJYHGCLUPID-OAHLLOKOSA-N 379.446 -0.347 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 1328697925 ZJBNBIKNEWURKK-ROUUACIJSA-N 376.501 -0.229 30 10 GBEE CSc1nc(O)c(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1C#N 1329147051 DZVFPZZGPQVGEQ-JTQLQIEISA-N 386.455 -0.229 30 10 GBEE C=CCN(C(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)[C@@H](C)COC 1330618199 SWFPECHUMFQBRK-MELADBBJSA-N 375.491 -0.130 30 10 GBEE C#CCN(C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 1341714631 LOHKBFQXWAEGFP-QWHCGFSZSA-N 377.488 -0.900 30 10 GBEE C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H]1C 1345543894 DFZSCYBIXDYWSY-ZFHCCXERSA-N 377.441 -0.717 30 10 GBEE N#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCCC1 1484003746 DXRATCKMWPJIGL-NBOOPKSLSA-N 378.473 -0.058 30 10 GBEE N#Cc1cn(C2CN(C(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)C2)c(=O)nc1O 1558806329 LWVNEJQGSBLKMG-NXEZZACHSA-N 385.302 -0.482 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1690045498 LFIOGGGVHQBVKP-CYBMUJFWSA-N 378.458 -0.759 30 10 GBEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1 1690175429 XMDUPATUYMFUND-CYBMUJFWSA-N 397.526 -0.127 30 10 GBEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1740683987 SZYJSVZMQHYROV-UHFFFAOYSA-N 387.444 -0.377 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)C3CC(F)(F)C3)C(=O)C2)C1 1856858292 RTISUXFMIXFGIF-LBPRGKRZSA-N 390.412 -0.370 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H](CS)C(=O)O)C1CS(=O)(=O)C1 2020696259 KQZOGTXKWPVWSH-RKDXNWHRSA-N 382.460 -0.577 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCOC[C@H]1F 2282310850 ZKPBLIPUVQNPDP-ZJUUUORDSA-N 390.246 -0.480 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@H]3CONC3=O)c2)OC1(C)C 2282506639 VMHIZRBXDPJHIK-ZDUSSCGKSA-N 382.247 -0.165 30 10 GBEE C=CCNC(=O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282843302 LGYCZMXDALXYLV-UHFFFAOYSA-N 384.267 -0.700 30 10 GBEE C[C@H](F)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284407688 NXGLQGKMJDWPJI-GZMMTYOYSA-N 391.230 -0.191 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCSC[C@H]2C(=O)O)n1 2284459080 GEWALDOZDAPGJJ-VIFPVBQESA-N 382.251 -0.244 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2337394977 SUNINZUIBNZDFZ-VHSXEESVSA-N 388.276 -0.670 30 10 GBEE Cn1cc(/C=C/C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)n(C)c1=O 289360493 MXPNMDCUDDEHPB-AATRIKPKSA-N 380.408 -0.287 30 10 GBEE N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCn2nncc2C1 349539130 PWVJTAHCACNVPH-UHFFFAOYSA-N 388.475 -0.869 30 10 GBEE C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 375299774 NAUWKXZNWUWUMT-ZDUSSCGKSA-N 383.412 -0.398 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)CC1 408282995 DPYVXXCORLYKAN-UHFFFAOYSA-N 380.474 -0.853 30 10 GBEE C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)S(N)(=O)=O 543818826 KUGHHQUYGMTMLL-GFCCVEGCSA-N 379.442 -1.000 30 10 GBEE CCCN(C(=O)[C@H](C)N1CCN(C(=O)CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 563361194 DJUGINRGIFXPBE-LSDHHAIUSA-N 384.502 -0.142 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](n3cncn3)C2)c1 594630678 QBIPORKQNDCXKH-GFCCVEGCSA-N 396.454 -0.284 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 804059107 KIJGVFCSHWMKFB-IRXDYDNUSA-N 398.467 -0.419 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1CCN(S(C)(=O)=O)CC1 846334022 ACSJIISRBJRQHO-INIZCTEOSA-N 380.470 -0.373 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 862196403 LEOJKCDPXBQRNL-AWEZNQCLSA-N 397.453 -0.296 30 10 GBEE C#CCN(CC(=O)N1CC[C@H](N2CCC2)C1)CC(=O)N1CC[C@H](N2CCC2)C1 912900718 QQQHVYNFKLPWQV-OALUTQOASA-N 387.528 -0.465 30 10 GBEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCN(C(COC)COC)CC1 1121509810 JNGSXJXXQFYIDR-DLBZAZTESA-N 394.520 -0.015 30 10 GBEE C=C(C)Cn1c([C@H]2NC(=O)N(C)C2=O)nnc1N(C)CCN1CCOCC1 1122483658 ZRJWQTHMAZITFE-CYBMUJFWSA-N 377.449 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GBEE CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1443873487 OVIOBTUPIBKTHY-JTQLQIEISA-N 389.430 -0.113 30 10 GBEE COc1ncc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C#N 1471781006 HTBCGXNOMPTIGK-DGCLKSJQSA-N 378.410 -0.064 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@]12COCCN1C(=O)COC2 1565223905 ZAHJHSOFWUHBOK-APWZRJJASA-N 388.424 -0.139 30 10 GBEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1595602247 HOXNDCHETGYBOR-KSSFIOAISA-N 390.444 -0.039 30 10 GBEE CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1621729706 DIYKEYKJDAGPEO-ZDUSSCGKSA-N 399.444 -0.112 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)NC(C)C 1705581001 RAYKVDNFJDXBJY-AWEZNQCLSA-N 392.485 -0.370 30 10 GBEE N#CCCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C(=O)C2)C1 1857145102 OTCOLLGQSUJOID-HUUCEWRRSA-N 382.486 -0.530 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccnn2C)C1=O 1857163946 XCLYDPRSSWUJRW-CQSZACIVSA-N 380.412 -0.357 30 10 GBEE CC1(C)OB(c2ccc(N3CCS(=O)(=O)CC34CNC4)nc2)OC1(C)C 2241042070 XVGOYEYSJCBVKU-UHFFFAOYSA-N 379.291 -0.042 30 10 GBEE CCS(=O)(=O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2256908828 SZWZEDZKMCAJIY-UHFFFAOYSA-N 379.269 -0.653 30 10 GBEE Cn1nc(C(=O)N2CC(CS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 2282057755 KUXBYOVIKMOGRI-UHFFFAOYSA-N 383.279 -0.164 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CC(=O)NC3=O)c2)OC1(C)C 2282289901 JSPSEPMQNIRNPM-NSHDSACASA-N 381.219 -0.926 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)OC1(C)C 2282608147 QTPUORUXLZBQSY-HKWIRBFKSA-N 384.263 -0.725 30 10 GBEE CN1C[C@@H](NS(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C(=O)N1 2282860936 IKMOFAVKJXBLBB-CYBMUJFWSA-N 381.263 -0.391 30 10 GBEE C=C(CS(=O)(=O)N1CC[C@@](O)(C(=O)O)[C@@H](O)C1)B1OC(C)(C)C(C)(C)O1 2284397505 MPIVVNQJJDRFCH-NHYWBVRUSA-N 391.251 -0.614 30 10 GBEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H](C)C(=O)O 2284408828 BRQSMRNSFSWALN-RKDXNWHRSA-N 388.255 -0.498 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)O 2284408867 ZYJHCXMATYRHML-UWVGGRQHSA-N 385.251 -0.282 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2358806875 VOCRNFGRGMKGEJ-ZZRRNANISA-N 381.429 -0.141 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CC#N)CC1 294917182 KPEAKRYRGOYYRN-ZDUSSCGKSA-N 389.437 -0.190 30 10 GBEE C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N 349482200 QSMHTKMRCHQUOJ-NSHDSACASA-N 386.455 -0.361 30 10 GBEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(CC(N)=O)C(=O)C1 459487638 HGYPRMYNHKLSJT-UHFFFAOYSA-N 375.385 -0.255 30 10 GBEE CC(C)n1cnc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 593570761 KDTRERGDEZFSKV-LBPRGKRZSA-N 383.416 0.196 30 10 GBEE C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)C1 627734224 MZORTJXRVGKYNM-CQSZACIVSA-N 376.461 -0.076 30 10 GBEE C#CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@H]1CCS(=O)(=O)C1 742573398 NCWSZLJLUWFWKB-HJORKGSMSA-N 394.449 -0.812 30 10 GBEE C#CCN(CC(=O)N1CC[C@@H]2COC[C@@H]2C1)CC(=O)N1CC[C@@H]2COC[C@H]2C1 824699409 AMJJMOTYBOLVKP-MKXGPGLRSA-N 389.496 -0.089 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C2([C@H]3CCCCO3)CCOCC2)CC1 831585026 QZTKPZUTXHCXIJ-MRXNPFEDSA-N 399.513 -0.036 30 10 GBEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)CC(=O)N1CCNCC1 841157442 VMGUYZBNVPMZNK-UHFFFAOYSA-N 376.388 -0.334 30 10 GBEE C[C@@H](CC(=O)N1CCOC2(CNC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 853244980 GTXDAEBXDTUEBK-LBPRGKRZSA-N 378.454 -0.296 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c2CCN(C)C3)CC1 881860237 SEZORVMDNCBQFU-UHFFFAOYSA-N 390.509 -0.270 30 10 GBEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2C)cc1 1261827133 MXZKCCDGCXEJDE-TZMCWYRMSA-N 394.453 -0.242 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286398953 USXJRYBIKQHPCN-KRWDZBQOSA-N 393.469 -0.961 30 10 GBEE CN(C)S(=O)(=O)N1CC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 1329509099 WZXPENLNFIQRLR-UHFFFAOYSA-N 377.426 -0.946 30 10 GBEE C=CCn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1339529243 GQGAXHPMHVWMLE-UONOGXRCSA-N 384.506 -0.327 30 10 GBEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1NC(=O)NC1=O 1347011517 KYRAWSXBCXYPMR-WYUUTHIRSA-N 379.442 -0.521 30 10 GBEE C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)C1 1351682389 FHZQRJUXAUPUTP-ZRGWGRIASA-N 389.456 -0.078 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1 1471451822 ZBFHPASZFRCHFI-UHFFFAOYSA-N 395.466 -0.710 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)NC)cc2)CC1 1632966564 RIAPZECXCVJRAO-UHFFFAOYSA-N 379.442 -0.337 30 10 GBEE C[C@@H](CC(=O)N1C[C@@H](CO)[C@@H](CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1636129197 AILQLXJNQNSUBS-RWMBFGLXSA-N 381.454 -0.437 30 10 GBEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC 1690077700 UYUVJVGNWOTYAS-CYBMUJFWSA-N 398.489 -0.793 30 10 GBEE C=CCn1cccc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1701707176 GAFWFSPXMDETHJ-QSJFSLAZSA-N 377.441 -0.068 30 10 GBEE C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H](C)NC(N)=O)nn1 1719896510 JNNAINYNXHKKIM-SFTQSGBHSA-N 375.433 -0.227 30 10 GBEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1722365586 FROVYKUSVNQMGE-KGLIPLIRSA-N 380.470 -0.066 30 10 GBEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2=O)CC1 1857071324 JJWUZVQEOCPQDH-CVEARBPZSA-N 385.424 -0.382 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H](CS)C(=O)O)C1 2059719244 NBDKYQNLAWXPPU-ZJUUUORDSA-N 396.487 -0.090 30 10 GBEE C#CCN(C(=O)CN1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2123462008 PYYVAZWLLQVLGI-CQSZACIVSA-N 385.486 -0.156 30 10 GBEE C#CCN(C)CCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249440110 TYGPNJZXJHLSKE-OAHLLOKOSA-N 397.453 -0.150 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H](N)CO)OC1(C)C 2255803984 XJIVEMQBOASYLZ-VIFPVBQESA-N 377.297 -0.819 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)cs2)OC1(C)C 2267280401 NVRUQKUULHHZKL-QWRGUYRKSA-N 387.288 -0.065 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(O)(C(N)=O)C2)OC1(C)C 2267720629 NCYMKTGNWSORNC-UHFFFAOYSA-N 388.276 -0.732 30 10 GBEE Cc1sc(C(=O)NC(C(N)=O)C(N)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281939415 XLWHTXOWTAYPED-UHFFFAOYSA-N 381.263 -0.267 30 10 GBEE CC1(C)OB(c2occc2C(=O)N[C@H]2CNC[C@H]2S(C)(=O)=O)OC1(C)C 2282196274 YFUQDGLLFBFBHY-NWDGAFQWSA-N 384.263 -0.306 30 10 GBEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CC(O)(CN)C3)cc2)OC1(C)C 2282501594 ZCMZXRMMLOWAER-UHFFFAOYSA-N 382.291 -0.179 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N=c2nc(C3CNC3)[nH]s2)OC1(C)C 2296452260 PHAVZSAXDXXCMG-UHFFFAOYSA-N 376.251 -0.079 30 10 GBEE CC(=O)C=C=C1C(C)(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O 2333238511 OSUSRWMGHUUXBY-FNGJZPOESA-N 386.441 -0.587 30 10 GBEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCCC#N)cc2)CC1 273101517 KYOZYSUOLCSUCI-UHFFFAOYSA-N 393.469 -0.019 30 10 GBEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409655216 ZAHHPIXBDODUBR-KGLIPLIRSA-N 377.449 -0.604 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](CC)O[C@H](CC)C2)CC1 422104185 OKWINPPMXLFERP-HZPDHXFCSA-N 380.489 -0.151 30 10 GBEE 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C#CCNC(=O)CC(=O)NCCC[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1287284887 JDPDTQAHPXORQN-YRBFXIGRSA-N 379.457 -0.422 30 10 GBEE CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1328730368 ZOSFVLBGVFFVJW-QDXKXIGTSA-N 378.458 -0.730 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(CC)C2=O)n1 1341930178 YGDQOWBAJVOMJI-INIZCTEOSA-N 389.456 -0.382 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1540864105 PHGOUXWYQDIMDM-UHFFFAOYSA-N 389.460 -0.840 30 10 GBEE O=C(CN1CCCS1(=O)=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032626 CDJSZXMUMDIODD-UHFFFAOYSA-N 381.410 -0.074 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(N[C@H]2CCOC2)C1 1645425448 IBSQIBMVDNIXJQ-JSGCOSHPSA-N 378.454 -0.186 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705900915 UGNUCJRXPPRRQO-CYBMUJFWSA-N 386.460 -0.057 30 10 GBEE C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)[C@H](c2cnn(C)c2)C1 1719478301 HMKKZPQMUWEEEE-LJCCNALRSA-N 386.452 -0.093 30 10 GBEE 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30 10 GBEE CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C#N)c[nH]1 1740365723 SOJKFVHQYABYGV-BZPMIXESSA-N 379.442 -0.313 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1748846950 NHHVHCKTLASDJD-ZDUSSCGKSA-N 384.483 -0.702 30 10 GBEE CN1C[C@@H](C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)CC1=O 1856410496 IQHZSTHXHPQYPD-KGLIPLIRSA-N 397.435 -0.130 30 10 GBEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ncccn2)C1)[C@H]1CCN(C)C1=O 1857273982 DWNOTUXEJBZSRO-GJZGRUSLSA-N 387.440 -0.051 30 10 GBEE C#CCOCCONC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2059619375 QRYNONVHRRCOJF-OAHLLOKOSA-N 376.431 -0.234 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C2OCCO2)C1 2255874011 PURCLLARDOQSDN-LLVKDONJSA-N 378.238 -0.051 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)CCN 2267368894 PNIUQRTWAABEKY-XMMPIXPASA-N 392.312 -0.536 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@]12CCOC2 2282323561 CSVWUQMPNZJCCZ-BMIGLBTASA-N 384.267 -0.428 30 10 GBEE 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C#CCNC(=O)C1CCN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 1638671635 PZJWJXIPDZFNNJ-UHFFFAOYSA-N 382.446 -0.980 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cnn(C)c2)C1 1656412102 MTIFZJDQLZAURK-TWMKSMIVSA-N 386.456 -0.465 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NC(C)=O)c2)CC1 1674563772 YKUYEAWBNMVFFX-UHFFFAOYSA-N 393.469 -0.060 30 10 GBEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705564990 DUBIGNQYWQBRSD-ZIAGYGMSSA-N 395.485 -0.108 30 10 GBEE C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1c1cnn(C)c1 1707127563 RQFJDWFZUFDBOT-XDNAFOTISA-N 387.484 -0.131 30 10 GBEE C#CCN(c1nnc(C)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617707 VTVFIKZRMOKSLL-CQSZACIVSA-N 395.485 -0.505 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1748960978 SRJPYEXJQKVXHB-CQSZACIVSA-N 390.444 -0.826 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1749666919 RNCGLGWODLPHLI-LBPRGKRZSA-N 391.476 -0.118 30 10 GBEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O 1760224412 JXERGWRERLTFCT-UHFFFAOYSA-N 391.457 -0.066 30 10 GBEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848965979 KPNFBNQEQQYVBH-MRXNPFEDSA-N 376.438 -0.190 30 10 GBEE C[C@@H](O)CN(CCO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339636 VWWLHCVLLVEIQD-LLVKDONJSA-N 389.283 -0.917 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ncccn1 2282342040 BGAQORMAKLAMLU-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]2C[C@@]2(O)C1 2282837009 RLECXTSHWGMQNP-ZUZCIYMTSA-N 384.267 -0.740 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H](O)C(F)(F)F 2282853281 APUIECYVXMBPCO-SECBINFHSA-N 399.200 -0.079 30 10 GBEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H](CO)C(=O)O)cc2)OC1(C)C 2284409160 FZIXROMBPWXWQR-ZDUSSCGKSA-N 385.247 -0.149 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)C(=O)O)cc2F)OC1(C)C 2284412895 FTZNGOBSRZCRQU-LBPRGKRZSA-N 389.210 -0.151 30 10 GBEE C#CC(CO)(CO)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2290346618 BKOXSPYOCADELX-UHFFFAOYSA-N 382.247 -0.984 30 10 GBEE CN(CCS(N)(=O)=O)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2315693808 QAPJCGRXPXUXPH-UHFFFAOYSA-N 375.281 -0.197 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@H]2C[C@H](C)O)CC1 410638062 PJIWAFGWNNAPDS-HOTGVXAUSA-N 380.489 -0.415 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(CCC)nn2C)CC1 538965237 PKZHLKZUSVCPRD-UHFFFAOYSA-N 376.461 -0.243 30 10 GBEE CCOC(=O)C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 549754946 VDCBPLXAUHNLPR-OAHLLOKOSA-N 395.437 -0.295 30 10 GBEE C[C@@H]1OC(=O)C2=C1CS[C@H]1[C@H](NC(=O)/C(=N\O)c3csc(N)n3)C(=O)N21 575417793 UEHIFMGCXPDQOP-WGIDVWTISA-N 395.422 -0.497 30 10 GBEE in-vitro CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC1COCCOC1 594633854 QOWOLHQOCPBZAP-UHFFFAOYSA-N 389.455 -0.476 30 10 GBEE CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 761119066 JPWYOYKHWSHADL-NSHDSACASA-N 384.389 -0.183 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccs2)CCN1C1CC1 1119118280 GZUCBVUYCVMXSZ-CYBMUJFWSA-N 375.454 -0.207 30 10 GBEE N#Cc1cn(CC(=O)N=c2cc[nH]cc2I)c(=O)nc1O 1150790290 KXFSEJQNICITMM-UHFFFAOYSA-N 397.132 -0.119 30 10 GBEE C=CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 1177698559 DRZBHSFWKPKITB-UHFFFAOYSA-N 379.438 -0.430 30 10 GBEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1O 1281874480 XYGLGVNGTUEFHN-DNIRFERGSA-N 382.335 -0.777 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1292188986 SVTLOIFRMLQFIZ-KFWWJZLASA-N 375.429 -0.822 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 1336528237 AISQGVZSHUNHTN-UHFFFAOYSA-N 377.485 -0.066 30 10 GBEE C#CC[C@@H](CC)c1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1CCOC 1345821604 DNIZPPPBIHMCGU-ZIAGYGMSSA-N 382.490 -0.220 30 10 GBEE N#CCSCC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1352715972 SLEKKHQRKJQTBN-NMNMXBMNSA-N 378.498 -0.073 30 10 GBEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cn1 1466841169 KPNIRKZLLNDWGI-VQHXFVEMSA-N 391.453 -0.031 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)NCCN2Cc3ccccc3OCC2=O)CCO1 1475664880 HHPILMOPTJOFTP-CQSZACIVSA-N 380.426 -0.534 30 10 GBEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CN(C)CCN1C 1565484098 PNQPNMHOBXAMSZ-RISCZKNCSA-N 375.433 -0.979 30 10 GBEE N#Cc1cn(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(=O)nc1O 1584108222 QLBPZYKLDIQFJL-MRXNPFEDSA-N 383.408 -0.296 30 10 GBEE N#C[C@]12CN(CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@H]1CS(=O)(=O)C2 1660448895 XSHHCHSMMINIJS-SUMWQHHRSA-N 376.438 -0.016 30 10 GBEE C#CCCCn1c(COCC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1689940146 OXPZBOOOPKRRFR-UHFFFAOYSA-N 387.448 -0.437 30 10 GBEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1689942849 DYLCNMVQHHIEFI-CQSZACIVSA-N 376.461 -0.019 30 10 GBEE C#CCN(CCOC)c1nnc(COCC)n1C[C@]1(O)CCS(=O)(=O)C1 1705630789 GWFZQIAFYRZTKN-MRXNPFEDSA-N 386.474 -0.550 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705908450 BWEXVMFQYILXLE-HUUCEWRRSA-N 392.460 -0.227 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@@H]1O 1739703557 OTHBDLUGMRHMOC-WCVJEAGWSA-N 379.413 -0.221 30 10 GBEE Cc1nc(NS(=O)(=O)N2CC[C@H](O)C2)ncc1B1OC(C)(C)C(C)(C)O1 2189858405 SZQGSTYXZHLDMH-NSHDSACASA-N 384.267 -0.192 30 10 GBEE Cn1cc(C(=O)NC2[C@@H]3CS(=O)(=O)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2281966180 NZGPGZTZIFUYPO-GHMZBOCLSA-N 381.263 -0.508 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)OC1(C)C 2281995114 YMHPWRDGYSGPRV-MEDUHNTESA-N 384.263 -0.628 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282507595 JQMKDNNLJAIFQL-RYUDHWBXSA-N 385.295 -0.032 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CC(=O)NC3=O)c2)OC1(C)C 2282833745 JSPSEPMQNIRNPM-LLVKDONJSA-N 381.219 -0.926 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@H]3C(=O)NC[C@@H]3C(=O)O)s2)OC1(C)C 2284483942 CYASHLROAHBAQA-GZMMTYOYSA-N 380.231 -0.024 30 10 GBEE Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)c1=O 378415715 IDIPMGUIJZXHLB-MRXNPFEDSA-N 395.423 -0.292 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 473507148 JEWKLPFYEJZORC-UHFFFAOYSA-N 395.485 -0.608 30 10 GBEE CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 489527698 QSUNLERSJWGDHC-UHFFFAOYSA-N 378.458 -0.324 30 10 GBEE CO[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1CCOC1 595127287 JDUGCGASOLONHV-JKSUJKDBSA-N 387.440 -0.230 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)n1 597510504 WZONGGCIWNELTO-CYBMUJFWSA-N 378.458 -0.483 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 607253443 RXOBWZDWKRROSR-LSDHHAIUSA-N 386.518 -0.028 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CNc3ccccc3C2)CC1 652715878 ONCARTZHUBZBCK-INIZCTEOSA-N 385.468 -0.414 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC 725825480 CMKGJPRPKYMVCD-QWHCGFSZSA-N 378.472 -0.619 30 10 GBEE C#CCN(CC(=O)N1CC[C@H](CN(C)C)C1)CC(=O)N1CC[C@H](CN(C)C)C1 819986665 DWOYYUDXPPKFSE-RTBURBONSA-N 391.560 -0.258 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 850734441 RSNZSAHBGNVAGR-AWEZNQCLSA-N 378.414 -0.062 30 10 GBEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 854776876 QRFODVGTXQUNNW-AWEZNQCLSA-N 395.481 -0.255 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@@H]4NCC[C@@H]43)CC2)c1C#N 868418591 KLCKVTBLLOBYCF-HOTGVXAUSA-N 385.472 -0.398 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 931879683 MQPCCYGAIRJDJT-HNNXBMFYSA-N 386.456 -0.943 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](F)COC 1286376396 KQROLFKGWPUEJD-QWHCGFSZSA-N 389.453 -0.335 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1323363390 YHQUYASJAADAEY-CQSZACIVSA-N 393.421 -0.098 30 10 GBEE CS(=O)(=O)N1CCC(NC(=O)C(=O)N2Cc3ccc(C#N)cc3C2)CC1 1326854666 USJGPJWETDBAGO-UHFFFAOYSA-N 376.438 -0.059 30 10 GBEE N#CCCN1CCN(C(=O)C(=O)N2CCC(CO[C@H]3CCNC3)CC2)CC1 1332127001 DHDPVVPLXQJTHI-KRWDZBQOSA-N 377.489 -0.339 30 10 GBEE N#Cc1ccc(CNC(=O)C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(F)c1 1332212031 XXYACVBBQHIJAU-QGZVFWFLSA-N 395.412 -0.270 30 10 GBEE COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1342869621 WJEWEHHBUZHIID-HZPDHXFCSA-N 398.419 -0.203 30 10 GBEE N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(O)nc1=O 1346856431 MITOJNFWSVGFHR-WOPDTQHZSA-N 377.426 -0.546 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cnn(C)n2)CC1 1359035308 QJZVPMCYHFXOGD-MRXNPFEDSA-N 397.487 -0.254 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)N(C)C 1507615887 CFJXBKIDVWCDGZ-ZDUSSCGKSA-N 398.489 -0.841 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)c1 1654881756 KMYKBKOMUNDEGA-CQSZACIVSA-N 377.426 -0.850 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(N)=O)ccc2C)CC1 1667922339 JROAWBGCYMTKOP-UHFFFAOYSA-N 379.442 -0.289 30 10 GBEE COC[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1712282221 ZGRKEGODFOGEGO-ZGTROFRASA-N 376.417 -0.035 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCNS(C)(=O)=O)CC1 1740705967 PEEDMDLRYVNHAA-UHFFFAOYSA-N 396.517 -0.254 30 10 GBEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc[nH]cc2C#N)CCS(=O)(=O)C1 2130061920 JPUFAGJOYLECPW-OAHLLOKOSA-N 381.414 -0.209 30 10 GBEE Cn1nc(C(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282032594 IBPHVTZAJWKXKM-BBBLOLIVSA-N 385.657 -0.013 30 10 GBEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCS(=O)(=O)C1 2282035742 ZCJKKXHHDLACKM-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CCC[C@@H](CCO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282304844 PZDCDDLKLMZPLW-NSHDSACASA-N 388.299 -0.056 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3COCC[C@H]3O)c2)OC1(C)C 2282348927 RGZBBPVWPDQBOQ-UONOGXRCSA-N 384.263 -0.191 30 10 GBEE Cn1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282593174 MRVKIHHAMVNMGY-LLVKDONJSA-N 383.279 -0.116 30 10 GBEE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282867614 BHVSCSLXSMVQJG-NSHDSACASA-N 381.263 -0.110 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NC2(CCO)CNC2)OC1(C)C 2282868359 MFNXUGFTCCDGTL-UHFFFAOYSA-N 382.291 -0.012 30 10 GBEE 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10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCC3(CCOCC3)CO2)CC1 913789176 YZTRRYUTNRMJET-INIZCTEOSA-N 399.513 -0.036 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12)[C@@H]1CCS(=O)(=O)C1 1119909311 UEQZGDXCTTYUKW-KFWWJZLASA-N 399.538 -0.669 30 10 GBEE N#C[C@]12CN(C(=O)Cn3c(=O)nc(O)c4ccccc43)C[C@H]1CS(=O)(=O)C2 1161866092 GHODGUKWSCUPIB-APPDUMDISA-N 388.405 -0.501 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](CO)[C@H](CCO)C3)CC2)o1 1176965517 NXLMHDRIMIUHSK-CABCVRRESA-N 377.445 -0.574 30 10 GBEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCc2cccc3cccnc23)c1=O 1307372296 PMRIFMMXLLIGMA-UHFFFAOYSA-N 393.403 -0.219 30 10 GBEE C#CCN(C(=O)C(=O)NCCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1323114842 SLBZEBLSXHJHKA-HNNXBMFYSA-N 380.470 -0.263 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)CC2)c1 1326861863 NZQYRDBYQJQQTI-HNNXBMFYSA-N 398.423 -0.299 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@](C)(C(=O)OCC)C2)C1=O 1335601991 IXABGTCHQQQZGR-SCLBCKFNSA-N 381.429 -0.588 30 10 GBEE 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385.486 -0.235 30 10 GBEE Cc1cnn(C)c1C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857163432 MYKCJZPFOYTEGL-OAHLLOKOSA-N 394.439 -0.048 30 10 GBEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1S(=O)(=O)N1CC(C#N)C1 2118166094 HQYPMEMGGZAAGY-OAHLLOKOSA-N 390.462 -0.725 30 10 GBEE Cc1cc(S(=O)(=O)NCC2(O)CNC2)sc1B1OC(C)(C)C(C)(C)O1 2267352805 ATAQTXZREFTCBJ-UHFFFAOYSA-N 388.320 -0.032 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1COC[C@@H]1F 2267368566 KXPGFENCIGTFTN-UWVGGRQHSA-N 375.231 -0.266 30 10 GBEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[S@](C)=O 2267711544 MMXPDGSPUQOCKX-ZZDSUILFSA-N 391.324 -0.235 30 10 GBEE C[C@@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2281958022 CRIAFAVMYSFWLR-SECBINFHSA-N 384.267 -0.723 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NCC2(O)CNC2)OC1(C)C 2282306122 IZNPSBQOCXNJEZ-UHFFFAOYSA-N 386.254 -0.263 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@@H]1CO 2282335681 SRZLUIRHEVDSAX-NWDGAFQWSA-N 385.295 -0.032 30 10 GBEE 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C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 611887961 XJTRBKXNNBETJX-SBJFKYEJSA-N 386.470 -0.646 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3CN2)n1 863767332 NMONJLILWFLWGJ-GDAAHCPNSA-N 399.495 -0.052 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 875055210 QZJDCFNGLFDJQA-KRWDZBQOSA-N 387.484 -0.006 30 10 GBEE C[C@]1(C#N)CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CCO1 1157514815 FUGXKSLTIMEZAN-KRWDZBQOSA-N 394.453 -0.075 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@](O)(CN(C)C)C3)CC2)o1 1195575910 GADXPACHZZWSHI-LJQANCHMSA-N 390.488 -0.108 30 10 GBEE COC(=O)[C@@H]1CCCN(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 1292291511 YWDNIBDRKSYZNK-OAHLLOKOSA-N 380.445 -0.528 30 10 GBEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1325489448 NRRLBGVVXGUZIH-OAHLLOKOSA-N 399.455 -0.478 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)n1 1328246342 OSBGDYNDVGVZDK-DZGCQCFKSA-N 380.470 -0.053 30 10 GBEE C#CCN(c1nnc([C@H]2SCCNC2=O)n1CC)[C@H]1CCS(=O)(=O)C1 1339615459 VNRDNBQLLUNQET-NWDGAFQWSA-N 383.499 -0.171 30 10 GBEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C)[C@H]1CCS(=O)(=O)C1 1347272018 VRHZTLZNJYSGRS-QWRGUYRKSA-N 375.476 -0.948 30 10 GBEE C[C@@]1(C(F)F)CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 1348209990 GFOMWUOFVKYNJJ-INIZCTEOSA-N 397.338 -0.914 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 1352929817 BSLKKXWBCKHAAZ-CVEARBPZSA-N 393.484 -0.247 30 10 GBEE C=CCn1c([C@H]2CNC(=O)C2)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1355382703 KMGQLKDNXJAEIB-XQHKEYJVSA-N 381.458 -0.684 30 10 GBEE CCN1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 1529083997 HPORWPFLKWGQLB-UHFFFAOYSA-N 391.497 -0.315 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)CCOC)CC1 1539446026 OHTYZNWGVIMLPV-INIZCTEOSA-N 389.504 -0.437 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)s1 1566376093 FTLZLZJPXNTJPK-ZYHUDNBSSA-N 387.483 -0.096 30 10 GBEE C#CC1(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 1630039294 QURSNDNBKGJIOJ-LBPRGKRZSA-N 379.438 -0.561 30 10 GBEE C=C1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1640307139 MISFTRGJHYHLQO-ZDUSSCGKSA-N 395.437 -0.231 30 10 GBEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC(S(N)(=O)=O)C2)CC1 1658956915 MBIRPDHEEDCWQM-CYBMUJFWSA-N 383.499 -0.570 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 1682629276 IYQQUTVLWJOBBY-SYQHCUMBSA-N 386.470 -0.767 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1O 1682669290 CGIAVMCORPZLCT-VQHPVUNQSA-N 393.484 -0.038 30 10 GBEE C#CCN(c1nnc(CC)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1705569955 IVAGOOFVUMHVSU-CXAGYDPISA-N 379.486 -0.055 30 10 GBEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1748972614 MDVNOVVERUUCLD-GOSISDBHSA-N 395.529 -0.120 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1757732431 VLOPWOLKYKBCAR-OPDFLTKYSA-N 376.417 -0.784 30 10 GBEE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN(c3nccc(C#N)n3)CC1)CC2 1852368662 XHVLKROXNCVMSJ-CYBMUJFWSA-N 379.424 -0.104 30 10 GBEE C#CCNC(=O)CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1964888910 IMSRYTWMKGCNLE-LBPRGKRZSA-N 387.458 -0.724 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCN)CCO)OC1(C)C 2255749391 SKLJVUDOQGKSGR-UHFFFAOYSA-N 376.309 -0.011 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCNS(N)(=O)=O 2267132304 NVXXUAMNQCDRTK-UHFFFAOYSA-N 389.308 -0.121 30 10 GBEE Cn1cc(C(=O)NCC2(C)CS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282066345 ILWUUQZDYMRALR-UHFFFAOYSA-N 383.279 -0.116 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2NC[C@@H](O)[C@H]2O)s1 2282647240 ZEJHBGYQXAOFDS-XQQFMLRXSA-N 382.291 -0.221 30 10 GBEE C[C@H]1CNCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849482 BUJPFAXNJUSNJO-WCQYABFASA-N 384.311 -0.004 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@H]1CN2 2282849595 DJNGQYCDZXKUJV-NEPJUHHUSA-N 382.295 -0.156 30 10 GBEE CON([C@H]1CCNC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282860668 DYNJGATXKMRLRS-JTQLQIEISA-N 387.271 -0.972 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](CO)C(=O)O)cc2)OC1(C)C 2284402035 GHZDXTZJYAEDCL-NSHDSACASA-N 385.247 -0.043 30 10 GBEE C[C@@H]1C[C@]1(NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404863 BXOAFQWBZYQUQV-RFAUZJTJSA-N 385.251 -0.139 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC(O)(C(=O)O)C3)c2)OC1(C)C 2284416591 ZWBFOVXOBOYWHT-UHFFFAOYSA-N 383.231 -0.194 30 10 GBEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCS(=O)(=O)CC2)n1C 2362447202 UASYWZCZPKZAJL-UHFFFAOYSA-N 383.279 -0.102 30 10 GBEE CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@H](OS(C)(=O)=O)[C@@H]1O 19892571 YFFGUILUCDKECD-ARKGTOAJSA-N 389.426 -0.869 30 10 GBEE CC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](C(=O)O)C1 208049266 KQOCKDQGFBIEQS-CYBMUJFWSA-N 376.222 -0.103 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1scnc1C(=O)OC 322549517 PSOXZPZTPOBBKC-SECBINFHSA-N 378.453 -0.259 30 10 GBEE CO[C@H]1C[C@H](/C(O)=N/C[C@@H](C)CN2CCN(C)CC2)N(S(C)(=O)=O)C1 329835424 HLJJGUCLUDHZTI-QLFBSQMISA-N 376.523 -0.125 30 10 GBEE CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 349471164 UESMSAOOYDVFHG-RMTRJLFJSA-N 383.517 -0.867 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2CCOC[C@H]2C1 374973955 VIERTRMEIDQUNE-DZGCQCFKSA-N 378.454 -0.232 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@](C)(CN)C3)CC2)c1C#N 423454451 ZAMFQSMGPHLQTJ-BFUOFWGJSA-N 387.488 -0.308 30 10 GBEE C=CCCOCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 535282096 WZXXZXSUFHZNBP-UHFFFAOYSA-N 376.479 -0.517 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1 564053170 QKDFSSNOOSLLAH-HZPDHXFCSA-N 380.489 -0.247 30 10 GBEE C#CCN(CC(=O)NC1CCN(C(=O)OCC)CC1)[C@H]1CCS(=O)(=O)C1 749284228 QMTOZYVSSARZCZ-HNNXBMFYSA-N 385.486 -0.154 30 10 GBEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cn2ccccc2n1 788437640 VCPMBNHPBMCIBQ-UHFFFAOYSA-N 376.398 -0.566 30 10 GBEE C#CCNC(=O)CN1CCN(Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 822605991 GBHSVASYYYVSRT-UHFFFAOYSA-N 384.527 -0.135 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@@H](C(=O)OC)C2)c1=O 840186581 PNRANGQTLIMBBT-ZDUSSCGKSA-N 396.469 -0.661 30 10 GBEE CN(CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H](O)c1cccc(C#N)c1 844370642 RVFDYTNFZCIKHR-MRXNPFEDSA-N 382.486 -0.079 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 854765827 KHXIEZHIOBLBRF-KBPBESRZSA-N 386.857 -0.017 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C#C)CO)N1Cc1ccccc1 854776990 STAKDVZASAVTMQ-QGFMHUBQSA-N 383.448 -0.760 30 10 GBEE C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 911049563 QNYXYIFLQFAXEP-BBWFWOEESA-N 391.493 -0.113 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)CC1 1197574448 SYCORJQAIMXCPA-JKSUJKDBSA-N 385.534 -0.450 30 10 GBEE N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)CC1 1331253083 VBSJOWCHECVTMQ-CYBMUJFWSA-N 379.367 -0.170 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 1337948148 LPDPZTJTTXMMTJ-KRWDZBQOSA-N 390.484 -0.656 30 10 GBEE N#CCNC(=O)CN1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1500168104 CVMIDPQPSUXXJC-HZMVEIRTSA-N 375.473 -0.588 30 10 GBEE CN(C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1572485136 FFPKCRZRWOTZMQ-ZGMNHVEMSA-N 376.413 -0.513 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 1632868178 YOBJSNJVFJXANO-GDBMZVCRSA-N 392.437 -0.657 30 10 GBEE COC(=O)[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1636664326 HHZCEBWFIDFAPD-INIZCTEOSA-N 381.410 -0.371 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)cc1 1645166943 KDKAWMMHFXHADN-OAHLLOKOSA-N 391.449 -0.377 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCC([C@@H](F)C(N)=O)CC1)c1cc[nH]n1 1648205787 BHYMRQXIRXQJKY-CYBMUJFWSA-N 383.380 -0.245 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCC(=O)NC)CC1 1705635257 VGDFGXMSVZTZMS-HNNXBMFYSA-N 378.477 -0.107 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CC(N)=O 1705932149 NBQRKOXXWZBHJV-GFCCVEGCSA-N 395.489 -0.021 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1736506106 SHBKKPROZKDDRZ-KHSSZTOVSA-N 377.445 -0.535 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(C)COCCO2)CC1 1740694779 UEDCHPDEDTVTTK-HNAYVOBHSA-N 388.472 -0.210 30 10 GBEE Cc1cc(=O)n(CC(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)cn1 1857178270 WWAZZJBFNOOWMT-INIZCTEOSA-N 386.456 -0.399 30 10 GBEE Cn1cc(C#N)c(=NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)[nH]1 1892804931 NHYOWZSBIQFDRH-LLVKDONJSA-N 383.430 -0.314 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)ns2)OC1(C)C 2267157301 VHXAVWAKUXZRRM-VHSXEESVSA-N 388.276 -0.670 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@H](C(N)=O)C3)c2)OC1(C)C 2282289129 CTBYVJBIVNQEHS-NSHDSACASA-N 381.263 -0.123 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H](O)C[C@@H]3CO)c2)OC1(C)C 2282292763 ZWROYIBFOXDITA-CHWSQXEVSA-N 384.263 -0.503 30 10 GBEE CCC[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282492942 UJMHUIRMESVVHW-NSHDSACASA-N 386.283 -0.348 30 10 GBEE Cn1ncc(C(=O)N2CC(CS(N)(=O)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282557835 ANUAFDSNSCYSCO-UHFFFAOYSA-N 384.267 -0.920 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@@H]2CONC2=O)OC1(C)C 2282839019 XOBPKVXVKDVJGC-LLVKDONJSA-N 386.210 -0.167 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@@H](O)C1 2282857900 OJBHUOSWXKLKFO-LLVKDONJSA-N 386.283 -0.350 30 10 GBEE Cc1c[nH]nc1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282867809 DUFZUHJYGOSEAY-UHFFFAOYSA-N 382.255 -0.376 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1 566488051 XJEGRNZNHBQTLL-UHFFFAOYSA-N 384.439 -0.559 30 10 GBEE CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)CC#N)CC1 579495353 YBKFDOPZBIKZKY-UHFFFAOYSA-N 386.455 -0.659 30 10 GBEE C[S@@](=O)C1(CNS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 583332952 AHQQKKCFKNPLLA-JOCHJYFZSA-N 391.496 -0.322 30 10 GBEE N#Cc1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 584843572 QNJUVSKTMQGSKC-HZPDHXFCSA-N 380.426 -0.258 30 10 GBEE Cn1c(N2CCc3sc(S(N)(=O)=O)cc3C2)c(C#N)c(=O)n(C)c1=O 596552250 UXWUHYJVXOJPDP-UHFFFAOYSA-N 381.439 -0.773 30 10 GBEE N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 600766141 ILJFUQXKJVVVFY-NWANDNLSSA-N 391.515 -0.131 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)cc(C(N)=O)c2)CC1 849374306 RTQCKYHKLYXAFL-UHFFFAOYSA-N 378.454 -0.850 30 10 GBEE CN(CCOCCNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 859312197 IKUDPLFBOQOIEG-CYBMUJFWSA-N 392.478 -0.071 30 10 GBEE N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCNCCNCC3)CC2)cc1 926308679 HAOVCZCTQXDLRY-UHFFFAOYSA-N 385.468 -0.051 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN2C2CCOCC2)C1=O 932962131 KXHSCUQTSVIWOZ-CVEARBPZSA-N 378.473 -0.399 30 10 GBEE C=CC[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1118892126 ILCABIVXZKQCKU-INIZCTEOSA-N 378.473 -0.586 30 10 GBEE C#CCN(c1nnc([C@H]2SCCNC2=O)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1121503202 DWMANYFGVVLXDL-CHWSQXEVSA-N 395.510 -0.005 30 10 GBEE CN1CCn2nc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2S1(=O)=O 1139232582 RAKYOPJYSDAZMN-UHFFFAOYSA-N 379.398 -0.434 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)Nc2cccc(C)c2)CC1 1152967249 BXIRTDBEQRHINO-UHFFFAOYSA-N 393.469 -0.272 30 10 GBEE CCOC(=O)C1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1258382339 HGSDJNBHLGGDSE-PFONDFGASA-N 392.412 -0.569 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)c1 1302348888 BESLWBUIIAYSGB-DLBZAZTESA-N 389.433 -0.183 30 10 GBEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)CCO2 1324950028 ZVBRZCCOXYWXNF-ZDUSSCGKSA-N 394.428 -0.414 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 1327013997 QPONTGBHVJMBKG-GFCCVEGCSA-N 382.442 -0.142 30 10 GBEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)N2CCC[C@H](CC#N)C2)C1=O 1329017626 GQHSOGQWGWIIGG-VBHSOAQHSA-N 375.429 -0.025 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1329145365 DCBGIUFTNAUOTQ-ZDUSSCGKSA-N 385.428 -0.048 30 10 GBEE N#Cc1cn(CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(=O)nc1O 1470861736 APTNBHIHLIKZIX-CQSZACIVSA-N 376.417 -0.627 30 10 GBEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)C2 1557600994 FJBUONKKPJBFNC-UHTWSYAYSA-N 375.385 -0.196 30 10 GBEE C=CCNC(=O)CNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 1670382407 APEGEWYOCXTNQA-UHFFFAOYSA-N 397.453 -0.124 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@@H]1O 1683705524 PQXOZGGQLRZSRH-WCVJEAGWSA-N 381.473 -0.182 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1740951640 KAMSDIPMERUDOJ-XHDPSFHLSA-N 399.452 -0.368 30 10 GBEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CN2CCCC2=O)C1=O 1856735283 HMXVAXKHSVQMMB-GJZGRUSLSA-N 376.457 -0.155 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H]1CO 2282343182 OPAIFVHWKPOMKV-NEPJUHHUSA-N 385.295 -0.032 30 10 GBEE CCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(N)=O 2282346065 SVEKTVDFJWMRNF-SNVBAGLBSA-N 386.283 -0.348 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)n1 2282489717 FSQNMPBNMCBGLI-NWDGAFQWSA-N 389.258 -0.187 30 10 GBEE CC(C)[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282502162 HHXHWYQTLCJWCO-NSHDSACASA-N 386.283 -0.493 30 10 GBEE COC(=O)C(C)(C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508452 WOZOAKMBTNGRNX-UHFFFAOYSA-N 387.267 -0.051 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)[nH]n2)OC1(C)C 2282577802 JZYLMOJQFVROKT-JTQLQIEISA-N 384.267 -0.527 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CO 2282850381 OGNOIYLCGXQLLP-SDDRHHMPSA-N 383.279 -0.279 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(C)CCNC1 2282850910 VCLBTXIHTQAXIQ-MRXNPFEDSA-N 384.311 -0.003 30 10 GBEE C=CC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284403415 PVQDOLBLLIQHDF-VIFPVBQESA-N 386.239 -0.578 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCC[C@@H](O)C(=O)O)c2)OC1(C)C 2284411185 HOMKWDGGBYUPIA-GFCCVEGCSA-N 386.235 -0.505 30 10 GBEE COC[C@H](NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284415315 WVWAKUPWKGNBPR-LBPRGKRZSA-N 386.235 -0.241 30 10 GBEE CC(C)(C)OC(=O)NCc1cn(CCNS(=O)(=O)N2CC[C@H](C#N)C2)nn1 2287066069 UGFTZFFBFMEUIA-GFCCVEGCSA-N 399.477 -0.017 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1CN2 2366871064 ZDENRWQOOYVBRI-GARJFASQSA-N 383.283 -0.857 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@](C)(OC)C2CC2)CC1 422530985 NXIHUVPYZZYQHZ-KUHUBIRLSA-N 380.489 -0.247 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 442606445 FRWAGQLBPGLEDK-UHFFFAOYSA-N 380.537 -0.358 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 550652378 FIDRZIKFPWXHJP-MRXNPFEDSA-N 379.505 -0.719 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCC4)CC2)n1 559493270 KMDSODRNIATWKW-UHFFFAOYSA-N 380.412 -0.544 30 10 GBEE C[C@@H](CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)[S@](C)=O 565314973 YPMFHOIDZPVYGB-SAHAZLINSA-N 393.512 -0.076 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H]4COC[C@@H]4C3)CC2)c1C#N 595170563 SDFXSQFXLLXELW-CABCVRRESA-N 386.456 -0.256 30 10 GBEE COC[C@@]1(C)CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCO1 599398834 GJFZLLXSJSXJPI-LJQANCHMSA-N 387.440 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC(C)(C)OC[C@H]2CC)CC1 652506959 PMVWHBULECUHSQ-OAHLLOKOSA-N 380.489 -0.151 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 839595586 CJEQUZGWSBQFSJ-CQSZACIVSA-N 386.408 -0.045 30 10 GBEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1)[C@@H]1CCCO1 848954787 PAPGTHMFXDITOR-GJZGRUSLSA-N 383.451 -0.052 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H](O)CC(F)(F)C3)CC2)c1C#N 1117920279 OVKLKMOWIONQSB-LBPRGKRZSA-N 396.398 -0.523 30 10 GBEE COc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 1119128951 KYTIWFQYDCAMPC-MRXNPFEDSA-N 399.451 -0.260 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(CCOC)C1)c1cc[nH]n1 1142735159 WQAAQELVHBXKIS-ZDUSSCGKSA-N 381.433 -0.080 30 10 GBEE CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1261477276 SBHORQWUWWSEJH-UHFFFAOYSA-N 391.403 -0.128 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 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381.263 -0.032 30 10 GBEE CN(c1ccnn1C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282293194 GPOPECGIBXUSJM-UHFFFAOYSA-N 382.255 -0.327 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@@H](O)C[C@H](O)C3)c2)OC1(C)C 2282832849 SJWZKJACLKMONZ-STQMWFEESA-N 384.263 -0.503 30 10 GBEE CO[C@@H]1CC[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282838779 UQYFPJLPIRIGDK-WDEREUQCSA-N 386.283 -0.182 30 10 GBEE CCOC[C@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867688 CBRNMUPSJXMIEF-LLVKDONJSA-N 389.283 -0.605 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NOC(C)(C)C(=O)O)n1 2284404683 YNQJVAPPOPANEE-UHFFFAOYSA-N 389.239 -0.208 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N[C@H](CCC(N)=O)C(=O)O)OC1(C)C 2284430217 QRKZAESPYGVGJC-MRVPVSSYSA-N 383.235 -0.109 30 10 GBEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2288896536 VUGIXHRYAGLYBG-QWRGUYRKSA-N 386.283 -0.352 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)CCO1 410135073 LUWRDJDQNQJTGA-CABCVRRESA-N 386.474 -0.441 30 10 GBEE 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GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(O)CCCC1 2282846643 MNBRGYHTIOHXMI-UHFFFAOYSA-N 386.283 -0.302 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(CC[C@@H]2O)C1 2282854547 SVVBVRURKIKOJA-LBPRGKRZSA-N 383.279 -0.135 30 10 GBEE C[C@@H](O)CN(CCN)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2285397550 HUXLAJMCWORUNN-GFCCVEGCSA-N 385.295 -0.289 30 10 GBEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2342058401 JAERSLGQVOEVPU-XNJGSVPQSA-N 388.486 -0.061 30 10 GBEE CN([C@H]1CNC[C@@H]1F)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2369652392 MBEOFQFOIZYHMA-UWVGGRQHSA-N 389.262 -0.955 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 288829625 KSEVCLFPLKCJDD-INIZCTEOSA-N 387.440 -0.086 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CCCN(C)C3)C2)CC1 459886691 PAIOSLNUVHDJJN-FQEVSTJZSA-N 391.516 -0.623 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2csc(CC)n2)CC1 560896210 WTGDBXBPNZTZQL-UHFFFAOYSA-N 393.513 -0.189 30 10 GBEE 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C#CCN(C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)[C@@H]1CCS(=O)(=O)C1 1325883524 GKLXVKHGAFIQJU-ZIAGYGMSSA-N 379.442 -0.910 30 10 GBEE N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CCO2)c1 1329142896 NTUMKTLCJKVULU-KSZLIROESA-N 384.436 -0.264 30 10 GBEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H](C#N)CO)c1 1329325281 IYORTTJWXQWQSV-GFCCVEGCSA-N 382.442 -0.612 30 10 GBEE CCN1CCN(CCCCNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1330377225 KLSFAKBIJSCJFW-SFHVURJKSA-N 390.532 -0.281 30 10 GBEE CCON(C)C(=O)CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1346358799 WAVPCUUPZBVMJB-UHFFFAOYSA-N 388.428 -0.436 30 10 GBEE Cc1ccc2ncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c(=O)n2c1 1457201687 QBSOBDXGCZGJDC-UHFFFAOYSA-N 378.348 -0.166 30 10 GBEE C#CCC1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)CCCCC1 1489594357 RZPJTFAGYSASHB-FXUDXRNXSA-N 391.468 -0.319 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)C1CC1 1507643649 XJVATUWWBCDYJF-CYBMUJFWSA-N 392.485 -0.513 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](COC)OC 1507654304 YRSPRFBYVSFTGU-GJZGRUSLSA-N 380.470 -0.086 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 1508085905 ILTFIQVOUJTCET-RYUDHWBXSA-N 375.433 -0.767 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1520265861 AJYNHKVJVZTNMW-IHRRRGAJSA-N 393.444 -0.134 30 10 GBEE N#C[C@H]1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CCN1Cc1ccccc1 1529237232 UEOXUBPLWZHLFH-GJZGRUSLSA-N 376.438 -0.864 30 10 GBEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCS(C)(=O)=O)CC1 1588750949 HMTQXEFGADIBTN-HNNXBMFYSA-N 399.517 -0.198 30 10 GBEE N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)CC2=O)cc1 1596883578 UHGATMHXLYMFQE-ZBFHGGJFSA-N 391.449 -0.081 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)cc1 1633523511 GSHVSRXVVVHTQB-HNNXBMFYSA-N 391.453 -0.039 30 10 GBEE C#CCN1CCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 1644637906 CHZQOWYJBGOBAW-SJORKVTESA-N 388.443 -0.058 30 10 GBEE N#C[C@]12CN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)C[C@H]1CS(=O)(=O)C2 1645997771 NRQCTJKJBUGOHM-YVEFUNNKSA-N 389.437 -0.972 30 10 GBEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1690056231 KOWZCUUWXRMSEW-MRXNPFEDSA-N 383.474 -0.575 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705887310 YLVRTYOCVYMPRD-IJLUTSLNSA-N 387.462 -0.566 30 10 GBEE CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711416809 CXGZFIZTTMIJRX-UHFFFAOYSA-N 390.473 -0.271 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)CC 1722391087 XMRQGULJSFJFIP-AWEZNQCLSA-N 394.501 -0.171 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@H]1CC 1749677911 OPTHASQZKFFPJV-CYBMUJFWSA-N 389.460 -0.583 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CC(Cn4cncn4)C3)C2=O)CC1=O 1855056286 RHFUZAICRBZBLG-HOTGVXAUSA-N 386.456 -0.238 30 10 GBEE C#C[C@]1(O)CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 1890720945 HUIBCVYAVXISSH-DYVFJYSZSA-N 386.470 -0.089 30 10 GBEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[S@](C)=O 2267357494 AQRROYQPXAPXSI-VHMAXNEBSA-N 392.312 -0.840 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)OC1(C)C 2281977394 ORLUPBDUTKGYCP-PHIMTYICSA-N 381.263 -0.175 30 10 GBEE Cn1nc(C(=O)N2C[C@H](O)[C@@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041442 WWIYHAISJWAPAL-ZJUUUORDSA-N 385.657 -0.202 30 10 GBEE Cn1nc(C(=O)NC[C@H]2CNC[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282545978 UAPSQLFHLGTWKN-NXEZZACHSA-N 384.673 -0.317 30 10 GBEE COCC[S@@](=O)CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282648858 SXKWFTVJFYMWGP-SANMLTNESA-N 386.283 -0.761 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C(=O)[C@@H]2CCC[C@H]21 2282838622 RPQXSOSTBXIHLV-NXEZZACHSA-N 382.251 -0.186 30 10 GBEE C[C@H](C1CNC1)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282848727 RAVXKXWYSKFZOA-LLVKDONJSA-N 384.311 -0.052 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H]2CN[C@H]1C2 2359281842 JNPWNNCYVNNQSK-VWYCJHECSA-N 383.283 -0.857 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 52305352 JJNPHLKWHPUAAV-IBGZPJMESA-N 387.484 -0.490 30 10 GBEE Cn1cc(S(=O)(=O)NCCN2CCN(c3ncccc3C#N)CC2)cn1 173463261 LTSPMGKULMDZHM-UHFFFAOYSA-N 375.458 -0.213 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463351852 QKMXLCZUAADDKA-JHNDHUHGSA-N 395.419 -0.236 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 522370385 RXXXOIJFNVHDCH-UHFFFAOYSA-N 389.441 -0.464 30 10 GBEE C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 538557477 WQZYIVHETZUGQG-UHFFFAOYSA-N 391.453 -0.124 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 593526271 UGWABRYBLSOEMY-UHFFFAOYSA-N 394.453 -0.261 30 10 GBEE CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780205522 MEJUUZGLGBZCDS-SFHVURJKSA-N 388.424 -0.633 30 10 GBEE COc1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)cc1C#N 787610834 SAUCASZBMQQKRH-UHFFFAOYSA-N 387.440 -0.537 30 10 GBEE O=C1NCCN1C1CCN(CC#CCN2CCC(N3CCNC3=O)CC2)CC1 1117094398 STLRCYWMRJJDKI-UHFFFAOYSA-N 388.516 -0.031 30 10 GBEE CC1(C)[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1N1CCOCC1 1164314116 NZCYIJXVOLKZJU-UONOGXRCSA-N 375.429 -0.174 30 10 GBEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(C(=O)CC#N)CC1 1261244452 OLUIEMWNSOPCKN-UHFFFAOYSA-N 397.439 -0.038 30 10 GBEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1296230285 WQJDVFQUDJEQSC-UHFFFAOYSA-N 375.410 -0.705 30 10 GBEE CN1CCN([C@H]2CC[C@@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1296788824 UDLNDIITFGIYEN-IYBDPMFKSA-N 388.472 -0.115 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1325570613 SZCRGOJUVIJZTH-OAHLLOKOSA-N 380.445 -0.614 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1326705915 SBACGEIUKGGYER-YFQWEKLQSA-N 378.429 -0.470 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 1327199361 FBXZGEJXGSANHQ-YUELXQCFSA-N 375.429 -0.166 30 10 GBEE COC(=O)[C@]1(N2CCN(C(=O)C(=O)N3CCC[C@@](C)(C#N)C3)CC2)CCOC1 1329842092 SXHQFSNYGYYVMC-OALUTQOASA-N 392.456 -0.385 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1346978295 DECWTBMOZZPZBV-KHSSZTOVSA-N 377.445 -0.453 30 10 GBEE C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1354792659 PTAWZKQAUBHJDS-HZPDHXFCSA-N 392.481 -0.349 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359301068 QVTHFUHAWRTFQY-KGLIPLIRSA-N 389.460 -0.360 30 10 GBEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1448760704 UGPAQIOGCUFPOD-GXTWGEPZSA-N 380.401 -0.917 30 10 GBEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)OC 1451182252 SVZFVTRVDPJZMY-CQSZACIVSA-N 393.421 -0.898 30 10 GBEE N#Cc1cnc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Cl)c1 1464723888 IBLZDWQRGGCVCU-QWHCGFSZSA-N 384.845 -0.166 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)c1 1473136913 MCWKFSGWXKHBCP-AWEZNQCLSA-N 393.469 -0.179 30 10 GBEE Cc1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492823631 XJRLVIYWDCBRMB-WXWBBQJKSA-N 385.428 -0.028 30 10 GBEE CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2C2CC2)C1 1620171596 FKMSHOFWFRADKG-QWHCGFSZSA-N 382.446 -0.325 30 10 GBEE O=C1NC(=O)[C@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]12 1628051100 ZRQWIOUNXQZAQW-TXEJJXNPSA-N 390.421 -0.764 30 10 GBEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)OC 1638826779 NRHBYADONJTBBK-CQSZACIVSA-N 393.421 -0.898 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1703000591 AEIHSDJACBGUJH-KFWWJZLASA-N 375.429 -0.740 30 10 GBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@H]1O 1735745339 KDBHTIKNXDUONH-MTNOOBJLSA-N 387.436 -0.113 30 10 GBEE C[C@@H](C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cncn1 1857109818 PLPKGZCTILXLKQ-SWLSCSKDSA-N 381.396 -0.004 30 10 GBEE Cn1cc(C#N)c(=NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)[nH]1 2124687855 KCLVDEOHOPFRGL-OAHLLOKOSA-N 383.430 -0.266 30 10 GBEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281989241 XGZNLKUNOFFLEL-GHMZBOCLSA-N 385.251 -0.749 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC4(C3)OC[C@H](O)[C@@H]4O)ns2)OC1(C)C 2281992169 KOLDCQMYUKGYEA-JQWIXIFHSA-N 382.247 -0.611 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CCN)CC(F)F 2282302552 XIVHOGKKRFKLQV-UHFFFAOYSA-N 395.241 -0.671 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2(CO)COC2)n1 2282495716 QFHDZRDFDRFQIL-UHFFFAOYSA-N 387.267 -0.994 30 10 GBEE Cc1nc(S(=O)(=O)N(C)[C@H](C)C(N)=O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508110 QXPLJLVWDMWAOC-SECBINFHSA-N 386.283 -0.478 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2[C@H]3CN[C@H]2C3)n1 2282835343 SKUDXSPBJQKYIJ-MDZLAQPJSA-N 382.295 -0.395 30 10 GBEE C[C@@H](F)[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284408519 XQMHHNBXWJOYNI-HTQZYQBOSA-N 392.218 -0.796 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@H]3C(=O)NC[C@@H]3C(=O)O)cs2)OC1(C)C 2284434173 WCFIJCSIPGSVNL-GXSJLCMTSA-N 380.231 -0.024 30 10 GBEE C[C@H](CCN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 419994349 MYGDAKYUIOCPLC-CYBMUJFWSA-N 393.469 -0.755 30 10 GBEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCC(=O)NCC#N)cc1 557721619 BUXGGTFLOLHGNO-UHFFFAOYSA-N 382.442 -0.148 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CCO1 598624403 CEJZQNUSAIQHKM-ZDUSSCGKSA-N 397.432 -0.484 30 10 GBEE COCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 732494453 HINNILSIFKPIPX-DOTOQJQBSA-N 398.419 -0.066 30 10 GBEE CCOC[C@@H](C(=O)OC)N(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 760169961 CHOBBWZZKWQZFX-LBPRGKRZSA-N 383.426 -0.238 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CCc2nc(C)ncc2C1)[C@H]1CCS(=O)(=O)C1 1116993665 GNGDSTIWFYBKEW-GJZGRUSLSA-N 390.465 -0.593 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 1194098661 XMAJZVKOAXNQGZ-UHFFFAOYSA-N 386.430 -0.529 30 10 GBEE O=C(CN1CCN(C(=O)C#Cc2cccs2)CC1)N[C@H]1CCS(=O)(=O)C1 1293905313 BAZCGTIBYQABHZ-AWEZNQCLSA-N 395.506 -0.453 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cn2c(C)cccc2n1)[C@H]1CCS(=O)(=O)C1 1323304759 HJZVDZWOYSXNEQ-HNNXBMFYSA-N 388.449 -0.092 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O 1326309945 SHNIPGXVXUPCFY-WBVHZDCISA-N 385.420 -0.227 30 10 GBEE N#Cc1cccc2c1CN(C(=O)C(=O)N1CCN(C(=O)N3CCOCC3)CC1)C2 1332673237 SIQCHWVZJDYZGC-UHFFFAOYSA-N 397.435 -0.003 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 1335736083 DTQPEIPDCWVDKQ-IAGOWNOFSA-N 392.500 -0.314 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2CC3(C2)OCCO3)n1 1337942825 MUOXWOWFJCCZLE-UHFFFAOYSA-N 390.440 -0.239 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc(N(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1342912537 FNGPKAFEGRTCPU-CQSZACIVSA-N 378.454 -0.587 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1359291600 WSXLLQASTDNPBF-UHFFFAOYSA-N 391.476 -0.223 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)C1=O 1455913522 VUVAVWKKAHIWDA-APPDUMDISA-N 378.385 -0.300 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1 1508081368 XTZVLFVREYJYIU-UHFFFAOYSA-N 388.432 -0.131 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)n1 1584712521 FJDZJIYSJPYXHL-NSHDSACASA-N 377.357 -0.265 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)C 1595570068 WGOICQJXGXZIDG-UHFFFAOYSA-N 391.476 -0.337 30 10 GBEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)N(C)C 1690515274 JBXPNJZJLHBZIZ-NSHDSACASA-N 394.523 -0.598 30 10 GBEE C#CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCN([C@@H]2CCNC2=O)CC1 1724054286 YPWVWKJZYIUYIP-DZJNRPSUSA-N 375.469 -0.147 30 10 GBEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1749022178 GOIKBIYAKQHTRW-OLZOCXBDSA-N 398.514 -0.017 30 10 GBEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncn(C)n1 1751215871 BCULRODWZCFTDN-QMTHXVAHSA-N 397.440 -0.493 30 10 GBEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cn(-c4ccncc4)nn3)C(=O)C2)C1 1855009922 KTGUVPULJMQPEV-MRXNPFEDSA-N 394.439 -0.065 30 10 GBEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cn2ncccc2=O)C1)[C@H]1CCN(C)C1=O 1857298452 CBKAXAZBNUNIMS-GJZGRUSLSA-N 387.440 -0.663 30 10 GBEE N#C[C@H]1CNCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249450691 HLWSENKMLXUUAS-UONOGXRCSA-N 396.425 -0.507 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)C1 2281226972 FIDBUQVICREIDQ-UIORMTCPSA-N 398.485 -0.346 30 10 GBEE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282029451 SCLOQADIXWGFPT-UTUOFQBUSA-N 384.263 -0.365 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C[C@H](CO)[C@H](O)[C@@H]3O)cs2)OC1(C)C 2282195709 QEGSWBIACRGJKT-QIRAZROLSA-N 383.275 -0.120 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCN(C=O)CC2)n1 2282488597 CVDKKOXXMIOLES-UHFFFAOYSA-N 384.267 -0.818 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC(=O)N1 2282854830 WKUHESPXABLENQ-SNVBAGLBSA-N 384.267 -0.772 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H](N)C1(C)C 2282869023 WEABOOCMYWRUDY-VHSXEESVSA-N 385.299 -0.482 30 10 GBEE C=CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2n2c(=O)n(CC(N)=O)nc12 35481495 WLIABWQXRSPPIG-UHFFFAOYSA-N 384.396 -0.380 30 10 GBEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 430390462 DXURQLNEVSUGJO-LSDHHAIUSA-N 389.456 -0.474 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 513604836 YBLFHYSKMMXESN-USXIJHARSA-N 392.500 -0.247 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 570317688 FUZKRILMZGYQLA-OAGGEKHMSA-N 378.473 -0.493 30 10 GBEE C=CCNC(=O)CN1CCN(c2noc3ccc(S(N)(=O)=O)cc23)CC1 663358943 AXKIQJFLUQZBOI-UHFFFAOYSA-N 379.442 -0.101 30 10 GBEE C#CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 733161292 MQPJPKOZPJSTBE-GVDBMIGSSA-N 395.525 -0.127 30 10 GBEE C#CCN(C(=O)c1cc(S(=O)(=O)NC)cs1)[C@@H]1CCS(=O)(=O)C1 748701096 SKRKTBGQIHCZPA-SNVBAGLBSA-N 376.481 -0.081 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1n[nH]c(C)c1C(=O)OC 751019931 AVCXRMALDBZRJP-JTQLQIEISA-N 375.428 -0.684 30 10 GBEE CN1CCCc2cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)ccc21 771892357 QFRJYWNMGAGGCS-UHFFFAOYSA-N 391.453 -0.221 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 793702553 TXAYNPXSBDCZSD-MRXNPFEDSA-N 379.505 -0.577 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csnc1C(=O)OC 1116357406 URKLGJKPQFRBNU-SECBINFHSA-N 378.453 -0.259 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@]23OCCC[C@H]2C3(F)F)CC1 1327848119 IVRRJGRVZVCLLP-DYVFJYSZSA-N 383.395 -0.095 30 10 GBEE COCC1(C)CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1331628361 GQIRWCKWAFCVEW-UHFFFAOYSA-N 389.412 -0.521 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1345346210 ULGCQOHTSJUFOP-OAGGEKHMSA-N 383.514 -0.128 30 10 GBEE C=CCOCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1347335221 JELQQNXQFWWPMQ-UHFFFAOYSA-N 388.424 -0.806 30 10 GBEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2occc2C(=O)OC)CC1 1463163621 BGXZTJQVEWQERM-UHFFFAOYSA-N 383.426 -0.488 30 10 GBEE Cn1cnn(CCC(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CSCC#N)c1=O 1574176589 QSJBQYRGWYINBI-AGIUHOORSA-N 378.458 -0.523 30 10 GBEE Cn1nccc1C1(O)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1588255479 ULRJRAGSCDWUKR-UHFFFAOYSA-N 375.410 -0.811 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 1643102551 RIZPLGPAQVBMNO-UHFFFAOYSA-N 383.386 -0.634 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)c1 1654881755 KMYKBKOMUNDEGA-AWEZNQCLSA-N 377.426 -0.850 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNS(C)(=O)=O)CC1 1690144068 KUZOTSFRZPMYIR-UHFFFAOYSA-N 394.501 -0.330 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1699626368 RWFHNWLFAFNUFH-KNCOVGOOSA-N 380.445 -0.760 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760523013 JPYHNXFCBSLEMS-AWEZNQCLSA-N 385.428 -0.407 30 10 GBEE C=CCN1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2CCC)C(=O)C1 1855279164 VHXSDLVJIJMWRO-UHFFFAOYSA-N 387.440 -0.081 30 10 GBEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1872949138 QWCPESHRABTMHO-GJZGRUSLSA-N 397.497 -0.437 30 10 GBEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC(O)([C@@H](F)C(=O)O)C1)C(F)(F)F 2123998986 BTWICQKWJPXSEB-RNHFCUEFSA-N 384.204 -0.018 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C2OCCO2)C1 2255874012 PURCLLARDOQSDN-NSHDSACASA-N 378.238 -0.051 30 10 GBEE C[C@H](ONS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269038452 YQYIUFUAQHNKDP-QMMMGPOBSA-N 375.212 -0.598 30 10 GBEE Cn1nc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 2281967748 RFNKWONDFCKOGZ-NSHDSACASA-N 383.279 -0.116 30 10 GBEE CC[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)O 2282328449 XSCHYXXVKIBBEC-SNVBAGLBSA-N 388.299 -0.058 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@]2(N)C1 2282331772 RRVCPYHHESGWCQ-BZNIZROVSA-N 382.295 -0.169 30 10 GBEE CN1C[C@H](O)[C@H](NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282352201 LFTACEKVGAIHFA-KGLIPLIRSA-N 383.279 -0.666 30 10 GBEE COCCOCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282840421 GSQJPTISXXZQNX-UHFFFAOYSA-N 389.283 -0.339 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@](C)(CO)C1 2282865874 ZTDNPWLGBJQJHZ-HNNXBMFYSA-N 386.283 -0.493 30 10 GBEE CN(C)C(=O)CN/C(=N/C1CCCC1)N1CCN(c2nccn(C)c2=O)CC1 262257895 DCMFTCMQDFGYEH-UHFFFAOYSA-N 389.504 -0.121 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 298543827 BOKYJFRDNGUPMW-HZPDHXFCSA-N 396.451 -0.129 30 10 GBEE CCCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 422601818 DGIKDVXPKPFJNU-OAHLLOKOSA-N 398.467 -0.023 30 10 GBEE COC(=O)[C@H](CF)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 582431218 WYPOQLXLATUPFA-LBPRGKRZSA-N 393.418 -0.380 30 10 GBEE N#CCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCNC2=O)c1 595957207 VOEMPXBNAIUFIG-AWEZNQCLSA-N 398.466 -0.470 30 10 GBEE Cn1cc(S(=O)(=O)NN=Cc2cnc(-c3ccccc3)[nH]2)c(=O)n(C)c1=O 771892770 UWGWXEDPYWDKBA-UHFFFAOYSA-N 388.409 -0.214 30 10 GBEE C#CCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 772699694 DKYQPZDNNHZRIB-CYBMUJFWSA-N 378.406 -0.206 30 10 GBEE COC[C@@H](C(N)=O)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 817932356 YEVRQOKZMUMHRS-PWSUYJOCSA-N 382.442 -0.538 30 10 GBEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 857804078 OXWSPVKGQYFQBQ-MRXNPFEDSA-N 395.504 -0.405 30 10 GBEE C[C@H](CC(=O)NCC(=O)N1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1118936862 DUSRWVLMQDWWRK-LLVKDONJSA-N 380.426 -0.216 30 10 GBEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)c1 1130562855 BIHPBQGOBNXSOA-INIZCTEOSA-N 390.465 -0.448 30 10 GBEE C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1291816785 VLLXZMATSPWZOG-MQYQWHSLSA-N 375.433 -0.608 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccc(O)cc2)C1=O 1296123652 DNUZGINCQZPIGT-ZDUSSCGKSA-N 375.337 -0.301 30 10 GBEE C#CC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1311381390 ADPIEZSAKLYXNP-OAHLLOKOSA-N 395.485 -0.783 30 10 GBEE C#CCN(C(=O)c1ccc(OCC(N)=O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1318342566 RLGYOOYNHZBMJM-ZDUSSCGKSA-N 380.422 -0.178 30 10 GBEE C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCCC1 1321662083 HTVKGNOLJVVCDM-ZGTROFRASA-N 377.445 -0.523 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 1322675929 WFSSUDGCRARBSO-CQSZACIVSA-N 379.438 -0.375 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(-n2nccn2)nc1)[C@H]1CCS(=O)(=O)C1 1338641223 GYKKIBLDHOCIEW-ZDUSSCGKSA-N 388.409 -0.750 30 10 GBEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1351761538 YIFGYSYGSDKLLB-NEPJUHHUSA-N 378.458 -0.121 30 10 GBEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C 1490799863 ZIOKVRLRQJNJSN-KFWWJZLASA-N 375.429 -0.380 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN2CCCS2(=O)=O)CC1 1539469216 OTSZLOPJLNNUDV-UHFFFAOYSA-N 394.501 -0.412 30 10 GBEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)CNS(N)(=O)=O 1558181099 PZKKBXKKJXVORY-NSHDSACASA-N 376.479 -0.019 30 10 GBEE CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](NC(=O)Nc3cccc(C#N)c3)[C@H]2O)CC1 1616154438 RUSVHWLFZURMNP-ICUGJSFKSA-N 387.440 -0.220 30 10 GBEE C#CCC1(O)CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 1650951361 AYFPDMXUXPHGCC-UHFFFAOYSA-N 393.421 -0.381 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CNC(N)=O)[C@H](c2cnn(C)c2)C1 1684607253 VOEYZBUCRQVYSF-BARDWOONSA-N 390.444 -0.910 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)COCc3nncn3C)[C@@H]2C1 1739390260 LOLPOGOYGGADQS-JJXSEGSLSA-N 389.456 -0.018 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1760206026 PFHDHSTWOQYEFZ-QAPCUYQASA-N 391.497 -0.680 30 10 GBEE C=C(I)CN1CCN(S(=O)(=O)NCCO)CC1 2021125784 LECYMGRDULKULW-UHFFFAOYSA-N 375.232 -0.621 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)NCC(=O)N2CCNCC2)OC1(C)C 2282617070 HNQCABNCFCXKKZ-UHFFFAOYSA-N 380.279 -0.396 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H](CN)C1 2282839946 KKZAEMPKVVEODQ-MNOVXSKESA-N 385.299 -0.480 30 10 GBEE COC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284397443 LYBAWLCKJWPWOV-VIFPVBQESA-N 389.239 -0.903 30 10 GBEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2342058398 JAERSLGQVOEVPU-AHIWAGSCSA-N 388.486 -0.061 30 10 GBEE CC1(C)OB(c2cnc(O[C@H]3CCN(C(=O)[C@H](O)CO)C3)nc2)OC1(C)C 204884973 AZLRLMJZDGDRGH-QWHCGFSZSA-N 379.222 -0.891 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349509894 ZNJCQXCUNMONRD-CYBMUJFWSA-N 376.460 -0.894 30 10 GBEE N#Cc1ccc(N2CCN3CCOC[C@@H]3C2)nc1N1CCN2CCOC[C@H]2C1 436348907 OCXLLBJXIZWXLN-ZWKOTPCHSA-N 384.484 -0.005 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CCCCC#N)CC2)CC1 594430017 ZFEDUXKBUCRXIK-HNNXBMFYSA-N 386.522 -0.966 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN2CCCN1CC2 597627352 YUBOECTVDCZKEK-GDBMZVCRSA-N 391.497 -0.269 30 10 GBEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](C#N)CO)cc1 597736559 CNEVCDJGDRMXHH-FMKPAKJESA-N 381.454 -0.065 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1 657959741 DMKDKDHBSYTCNI-OAHLLOKOSA-N 388.472 -0.438 30 10 GBEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)nc1 761835477 KDFUPIFWCTVIJW-UHFFFAOYSA-N 381.461 -0.028 30 10 GBEE CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC2(CNC(=O)O2)C1 848957410 KBPPRNKDGBQTSP-UHFFFAOYSA-N 394.475 -0.936 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 850468930 JCFRYOINEDGNLH-CQSZACIVSA-N 380.422 -0.091 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@]23COCCN2C(=O)OC3)n1 869017537 MXAQXUKSAJJWNE-SFHVURJKSA-N 391.428 -0.105 30 10 GBEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C2CCC(C(=O)OC)CC2)CC1 914130359 VIWBHPRXWIXEHC-UHFFFAOYSA-N 399.513 -0.195 30 10 GBEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1177692609 INTISCWWHOYZFG-CQSZACIVSA-N 382.424 -0.140 30 10 GBEE C#CCN(C(=O)NC1CCN(CC(=O)N(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1254130551 PQDRTCLONPLZHQ-OAHLLOKOSA-N 384.502 -0.629 30 10 GBEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286503680 DJCROKGLEUNFEW-QWHCGFSZSA-N 392.485 -0.453 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CC(CO)(CO)C1 1301719167 MHPBXWVKPNEFIK-UHFFFAOYSA-N 381.454 -0.245 30 10 GBEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1302095147 DCUATBZPPHQHSR-IIDMSEBBSA-N 394.476 -0.203 30 10 GBEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 1327013992 QFGJXMCMCUJLCK-NSHDSACASA-N 384.410 -0.132 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCO[C@H]1CC1(F)F 1329706060 YFHMEEFORFVABB-YPMHNXCESA-N 394.382 -0.074 30 10 GBEE Cn1cc(N2CC[C@@H](NC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)cn1 1331294609 DYUVYGBAFAULKP-GFCCVEGCSA-N 384.400 -0.601 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1345710342 IEACCKOSPRWHAF-IRXDYDNUSA-N 392.500 -0.294 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCO[C@H](CCF)C1 1348188077 IHPRCNAGYRJRBQ-UONOGXRCSA-N 390.419 -0.028 30 10 GBEE C=CCn1c(C2CCN(CCO)CC2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1356018878 GOIVPHXBUFLWBF-HOTGVXAUSA-N 390.488 -0.271 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507807138 VBOXLNDYBQQWQK-FMKPAKJESA-N 388.472 -0.031 30 10 GBEE C#CCNC(=O)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)C1 1570883951 AVLASVYLOICAOE-YTXYEVPYSA-N 375.469 -0.146 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=CCS(=O)(=O)C3)CC2)cc1 1588157950 LVFSMEYEHWUFRT-UHFFFAOYSA-N 395.462 -0.254 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc3c(c2)COCC3)CC1 1660211047 VXXFDWPRYTZEQR-UHFFFAOYSA-N 379.442 -0.229 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCOCC2)CC1 1705638298 GABSIOMISBQDRV-OAHLLOKOSA-N 388.472 -0.474 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1722690978 NOWGFVAZQIVUFU-GFCCVEGCSA-N 395.489 -0.070 30 10 GBEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1747218614 AGFPPLWRWMNGFM-ZDUSSCGKSA-N 387.462 -0.395 30 10 GBEE N#CCC(=O)N1CC[C@H](N2CCN(c3nnnn3-c3ccccc3)CC2)C1=O 1855619284 IYKOJFPLTPEELQ-HNNXBMFYSA-N 380.412 -0.175 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1[C@@H]2CCCO[C@@H]21 2282326713 XBIQASITYBJRKQ-AXFHLTTASA-N 384.267 -0.430 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCCO1 2282327345 GQCUQIYYPLLVMC-NSHDSACASA-N 386.283 -0.038 30 10 GBEE C[C@H](CC(N)=O)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282351039 VRYULHYSZWLQKW-SNVBAGLBSA-N 386.283 -0.396 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@]2(CCO2)C1 2282837340 DDJUOTPDNOZWDE-OAHLLOKOSA-N 384.267 -0.332 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H](CO)C(=O)O)c2)OC1(C)C 2284406607 AHUUSQQIWITYIC-JTQLQIEISA-N 386.235 -0.648 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2NC[C@@H]3C[C@H]23)n1 2359282839 LONQYGVBRNQETA-GMXVVIOVSA-N 382.295 -0.395 30 10 GBEE CS(=O)(=O)C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)O 2360575984 RABZFJNDQMRWSG-CABCVRRESA-N 394.453 -0.096 30 10 GBEE Cn1cc(C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)nc1B1OC(C)(C)C(C)(C)O1 2361658366 IFTWLGNKXZLREY-PWSUYJOCSA-N 381.263 -0.412 30 10 GBEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 430390461 DXURQLNEVSUGJO-HUUCEWRRSA-N 389.456 -0.474 30 10 GBEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 471324907 XJJWTKAFVFVHHK-BPUTZDHNSA-N 393.465 -0.372 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 491080066 KRRQCGUJQHWSGK-UHFFFAOYSA-N 394.501 -0.358 30 10 GBEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 561938917 GZSSDDDARPKBLA-AWEZNQCLSA-N 388.476 -0.076 30 10 GBEE C=CCCCCCNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 563418589 XZRZUZVUEDJVNM-UHFFFAOYSA-N 380.489 -0.148 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CCN1c1nccn2cnnc12 595178377 RCVUTIMSOQVZOF-FZKQIMNGSA-N 382.428 -0.076 30 10 GBEE C=CCOc1ccccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771898838 UWQXJKPVJPCKMN-UHFFFAOYSA-N 378.410 -0.039 30 10 GBEE NS(=O)(=O)c1ccc(C=NNC(=S)NCCN2CCOCC2)c(F)c1 842521680 GEUNAUSSWBIEQN-UHFFFAOYSA-N 389.478 -0.397 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2Cc3ccccc3C2=O)CC1 913788897 QQQBUKHPXRCTBW-CQSZACIVSA-N 390.465 -0.357 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CNc2ccccc2C1 1118264704 FUSODEWIUMNXBY-CMTMBAJVSA-N 383.408 -0.218 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H](C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1118329486 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384.506 -0.015 30 10 GBEE C[C@H](C(=O)N(C)CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)n1cccn1 1472190867 AJMPVRPRVONSLW-DVOMOZLQSA-N 379.442 -0.701 30 10 GBEE C#CCNC(=O)CC(=O)NC1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1511968038 JFTYVJAKIGATCW-KMGCVNBSSA-N 377.441 -0.717 30 10 GBEE COCCCn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1=O 1536179701 LPAGTDYDNAVWDB-LRDDRELGSA-N 380.426 -0.710 30 10 GBEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@H]1CCN(O)C1=O 1636352642 KNLLSCDFLBUZGU-HNNXBMFYSA-N 398.485 -0.055 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N(C)C 1689965896 GBFMPPAWQUDLAO-KBPBESRZSA-N 384.506 -0.370 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2080600026 DGYDEBUGZNMXCA-SGIHWFKDSA-N 378.447 -0.395 30 10 GBEE C#CCN(C(=O)CN1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2123462007 PYYVAZWLLQVLGI-AWEZNQCLSA-N 385.486 -0.156 30 10 GBEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(S(=O)(=O)c2ccc(N)cc2C#N)C1 2165755147 SSYJWBKWYIVPAN-UHFFFAOYSA-N 395.441 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CN(C)CC#CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857361 HCBWTQSFPBAZPX-UHFFFAOYSA-N 382.295 -0.437 30 10 GBEE CO[C@@H]1C=C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282865000 NWYHILVCKCEKAA-GHMZBOCLSA-N 384.267 -0.264 30 10 GBEE CCN1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1=O 349453881 FXNJQEJMUBAPRU-AWEZNQCLSA-N 392.503 -0.560 30 10 GBEE C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1CCO 427431261 IBEFVXOXHLODJB-AWEZNQCLSA-N 397.439 -0.338 30 10 GBEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N3CCC[C@@H]3C(=O)NC)cc2C1=O 521372412 OGQXAWQPZHRDQK-OAHLLOKOSA-N 398.419 -0.065 30 10 GBEE CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 546200152 VXBATYGSUYJQKA-UHFFFAOYSA-N 396.455 -0.001 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 658683669 HFZLUZOJWCCKTN-INIZCTEOSA-N 380.489 -0.150 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)NS(=O)(=O)CC3(C#N)CCCC3)cnc21 779317967 MJRUGMOWVPLGSM-UHFFFAOYSA-N 378.414 -0.340 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)CC1 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381.339 -0.245 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@@H]23)C1=O 1355018139 DGGCSNKIVFBTMW-SEBNEYGDSA-N 377.441 -0.064 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)C1=O 1455913531 VUVAVWKKAHIWDA-DIFFPNOSSA-N 378.385 -0.300 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCO1 1464371219 DNOKVMVLOWISIA-CQSZACIVSA-N 385.490 -0.739 30 10 GBEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C[C@H](O)CC1(C#N)CCOCC1)C2 1473872128 HJCKIQHWBIYJNL-HUUCEWRRSA-N 376.461 -0.070 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1=O 1523040785 FLTNNKDHPAHLBH-NSHDSACASA-N 391.405 -0.350 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)CC1 1558074771 IKAHATWVAVCYLA-UHFFFAOYSA-N 388.453 -0.578 30 10 GBEE CN(C)[S@](C)(=O)=NCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 1559300258 IMXTYWPDFZAJLZ-AREMUKBSSA-N 382.490 -0.254 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(CC#N)CC1 1586493991 PQAIFRZYBDWUEH-ZDUSSCGKSA-N 388.490 -0.018 30 10 GBEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CCO1 1620355505 JYYMBQALIIAIIR-UPJWGTAASA-N 394.457 -0.812 30 10 GBEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1689913747 USWQELNHELKZES-OLZOCXBDSA-N 382.490 -0.031 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1690102371 JNLKEPVXDAZNHV-KBPBESRZSA-N 395.485 -0.250 30 10 GBEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690668284 YYVILZRZPBQFGR-HNNXBMFYSA-N 399.455 -0.016 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1720676652 IWNPQUWAOLFOBH-WCVJEAGWSA-N 378.473 -0.651 30 10 GBEE CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1771353223 BQEWZYYNONQHJZ-NEPJUHHUSA-N 382.446 -0.607 30 10 GBEE CO[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@@H]1N 2282335475 QAXWFSSQHYUVME-WDEREUQCSA-N 386.283 -0.934 30 10 GBEE CCN(CC(=O)OC)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282506359 RAIKPKJBIRYLBU-UHFFFAOYSA-N 387.267 -0.097 30 10 GBEE Cc1nc(C(=O)NC[C@@H]2NC[C@H](O)[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282514226 ADYWTVRMSYQXBC-NHCYSSNCSA-N 383.279 -0.826 30 10 GBEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@H]1CCS(=O)(=O)C1 2282561263 JLONVECFMCEQGP-NSHDSACASA-N 383.279 -0.022 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCN(S(C)(=O)=O)CC2)OC1(C)C 2282597450 JMKYXUVSJWNRGX-UHFFFAOYSA-N 384.267 -0.574 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1C[C@H]1C(=O)O 2284408868 ZYJHCXMATYRHML-VHSXEESVSA-N 385.251 -0.282 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N2C[C@H](O)[C@H](O)[C@@H](CO)C2)OC1(C)C 2289486722 ZGGGRZPPTFIPJI-DDTOSNHZSA-N 383.275 -0.167 30 10 GBEE C#CCNC(=O)CCNC(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2351707307 HNRWTTWMSBBAEP-UHFFFAOYSA-N 387.458 -0.724 30 10 GBEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)c2)OC1(C)C 2360577966 YUUFYVNSGZLUNF-NSHDSACASA-N 386.235 -0.459 30 10 GBEE N[C@H](CS)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 6021991 FBRCSVAGDWAZCU-DCQANWLSSA-N 389.547 -0.798 30 10 GBEE in-vitro C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2CCOC[C@@H]2C1 374973956 VIERTRMEIDQUNE-HIFRSBDPSA-N 378.454 -0.232 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2CCO)cc1 452376664 OLRCQXPSTHIUMN-OAHLLOKOSA-N 380.470 -0.200 30 10 GBEE C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460612109 HFTFBRCWRVSSBT-ZDUSSCGKSA-N 383.412 -0.086 30 10 GBEE CN(C)S(=O)(=O)N1CCCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 811789291 XEKDRPJMNQLHLW-UHFFFAOYSA-N 379.486 -0.020 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 862194406 BLIJEFOXQKCNNG-LBPRGKRZSA-N 396.421 -0.030 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2Br)CC1 913788684 LMXCNFCFJTXXPY-UHFFFAOYSA-N 390.263 -0.592 30 10 GBEE C#CCN(C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1)[C@@H]1CCS(=O)(=O)C1 1142046970 SFTCKXJXKZYFPA-SNVBAGLBSA-N 389.455 -0.388 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 1143457384 GORLWLPRHJWXFS-CQSZACIVSA-N 380.474 -0.177 30 10 GBEE CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1188537180 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10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCn1cccc1 2282316120 XXZDFMAAWIWNJO-UHFFFAOYSA-N 381.267 -0.106 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282832215 LMSLJZQHMKLBTN-RYUDHWBXSA-N 384.311 -0.065 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](CO)CC1CC1 2282838077 ZMBSPWVZJZJVOH-NSHDSACASA-N 386.283 -0.446 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@](C)(CO)C(F)F 2282867844 FEJSAJGIXBUADG-ZDUSSCGKSA-N 396.225 -0.591 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC12CNC2 2282868609 PPNZNYMWOCPCIT-UHFFFAOYSA-N 382.295 -0.154 30 10 GBEE C=C(CS(=O)(=O)N1CCNC[C@@H]1CC(=O)NC)B1OC(C)(C)C(C)(C)O1 2369262709 KRVOYWPXPAAOTG-ZDUSSCGKSA-N 387.311 -0.086 30 10 GBEE COc1ccc(O)c(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)c1 252610337 IAMAOVMEODYCLF-UHFFFAOYSA-N 388.384 -0.414 30 10 GBEE N#C[C@@H]1CN(C(=O)CN(CC(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CCO1 291776802 WKQMMPKKSDTAIV-HDICACEKSA-N 397.435 -0.005 30 10 GBEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](O)(C(N)=O)C2)CC1 375700244 DOXYKAGIWRVTIJ-DYVFJYSZSA-N 377.470 -0.621 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCSC[C@@H]2CCO)CC1 410953175 DBTKEGLVNCWOQY-HNNXBMFYSA-N 389.481 -0.072 30 10 GBEE CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 557690130 AQFDXDGQQMFPMR-UHFFFAOYSA-N 398.467 -0.023 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)NCCO)c1 574584494 HCIGLNQSHRREGY-CQSZACIVSA-N 389.455 -0.740 30 10 GBEE Cn1nccc1[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 592106771 XWTCCQPKTOVLJB-AAEUAGOBSA-N 385.446 -0.138 30 10 GBEE CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)NC1COCCOC1 594638598 ZHKYCBOLDRPNOS-CQSZACIVSA-N 395.503 -0.677 30 10 GBEE CN1CCN(C(=O)C2CCN(C(=O)C(=O)N3CC[C@@](C)(C#N)C3)CC2)CC1 595132796 PHHBSZLEAUEDTF-IBGZPJMESA-N 375.473 -0.239 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 607253441 RXOBWZDWKRROSR-HUUCEWRRSA-N 386.518 -0.028 30 10 GBEE CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)cn1C 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394.497 -0.126 30 10 GBEE CS(=O)(=O)CCCCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478480518 VBJSNICSHHEOBX-JSGCOSHPSA-N 377.488 -0.219 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1508095287 MTIUINHNSRDVFW-GOSISDBHSA-N 389.460 -0.596 30 10 GBEE COCc1noc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2C(N)=O)n1 1614603978 KHQQBKNIPYJIMT-STQMWFEESA-N 391.409 -0.023 30 10 GBEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)CN1CCOCC1)c1cc[nH]n1 1634351481 UGFKJYFZWPDEAK-CYBMUJFWSA-N 381.433 -0.222 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc3c2OCCO3)CC1 1676653825 YKEJOAVCNNYVAM-UHFFFAOYSA-N 394.453 -0.247 30 10 GBEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCN(C)C2)CC1 1690120046 DJGFXNODLJKSDE-IBGZPJMESA-N 382.472 -0.443 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1705598241 FJQNCKJWDMZRFG-AWEZNQCLSA-N 387.469 -0.180 30 10 GBEE CC1(C)OB(c2ccc(=NCCN3CCS(=O)(=O)CC3)[nH]c2)OC1(C)C 2241033325 XHXFNPAPTRGPHU-UHFFFAOYSA-N 381.307 -0.055 30 10 GBEE 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CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116252432 CYGPXECAXYRFGJ-CLPFFNAISA-N 384.458 -0.263 30 10 GBEE C=CCn1c(N2CCN(c3nccnn3)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1121608666 VQHPOJFYKFKAOO-RDTXWAMCSA-N 385.476 -0.113 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(CC(N)=O)cccc3C2)C1=O 1132125366 OULPMCLLBGDBCY-UHFFFAOYSA-N 384.392 -0.424 30 10 GBEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286270929 OVGFBOIKKPTFSF-SUMWQHHRSA-N 395.485 -0.478 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](F)COC 1286376398 KQROLFKGWPUEJD-STQMWFEESA-N 389.453 -0.335 30 10 GBEE CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1314555402 FLZBXUSYENVNGN-GFCCVEGCSA-N 379.446 -0.059 30 10 GBEE CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N 1315071950 BBGVBQUSAKAMJS-LBPRGKRZSA-N 383.478 -0.454 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CCO1 1316537702 DVEZORLATYWEED-VHSXEESVSA-N 383.359 -0.661 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 1323701877 QWMRDYKTESGVOA-UHFFFAOYSA-N 394.446 -0.259 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1327378867 KWTFQTHNYCTPIT-OAHLLOKOSA-N 388.449 -0.358 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)C1=O 1328217622 DRLQWISWLVFKLN-CVEARBPZSA-N 378.473 -0.711 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1328596179 OIBIFMQFTVODKH-RYUDHWBXSA-N 375.347 -0.236 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2csc(C)c2C)CC1 1337427681 UIIWNSUSMZPEAB-UHFFFAOYSA-N 395.514 -0.011 30 10 GBEE C#CCN(C(=O)C(=O)NCCOC1CCSCC1)[C@H]1CCS(=O)(=O)C1 1342370617 YGSHVKSXGGUJNX-ZDUSSCGKSA-N 388.511 -0.336 30 10 GBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(S(C)(=O)=O)CC1 1359328135 USERQMYWGADRDX-UHFFFAOYSA-N 377.492 -0.731 30 10 GBEE CN1CCN(c2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cn2)CC1 1463925982 BPEVXBPPGUBDFQ-UHFFFAOYSA-N 397.439 -0.326 30 10 GBEE C=CCn1c(CC[C@@H]2CCCO2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1520330415 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C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1507540304 YZTQYXIQPWAWNB-OLZOCXBDSA-N 398.489 -0.843 30 10 GBEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCCS2(=O)=O)c1 1583772612 OZWLKWUJRVDRBQ-UHFFFAOYSA-N 389.430 -0.112 30 10 GBEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1595530006 PHBRRIMFZLEPLV-UHFFFAOYSA-N 387.444 -0.130 30 10 GBEE CN1CCN(C[C@@H]2OC[C@@H](NS(=O)(=O)c3cccc(C#N)c3)[C@@H]2O)CC1 1615259912 NRRVRYYNHBDNTA-IKGGRYGDSA-N 380.470 -0.788 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc2n1CCOC2 1639938055 HQBFAKSLEVOTJX-UHFFFAOYSA-N 376.398 -0.837 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)nn3cccnc23)CC1 1664525335 OCIMJNYCOUGEOO-UHFFFAOYSA-N 376.442 -0.907 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCOC2)C1 1690669700 MJLOTLXMILBCAE-UGSOOPFHSA-N 390.444 -0.473 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1750061434 PJYPHOLMDOJZKR-BFQNTYOBSA-N 397.505 -0.038 30 10 GBEE 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C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC 1588074003 GXJYOPZXQKLDDR-UHFFFAOYSA-N 378.458 -0.864 30 10 GBEE C#CCN1CCN(C(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)CC1 1655596261 PKWKPRISUVKVHM-QGZVFWFLSA-N 393.513 -0.641 30 10 GBEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1687392741 WWESQWBGBOKNSR-UHFFFAOYSA-N 377.426 -0.426 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1740295963 COKWWPKWPZFZLY-FZKCQIBNSA-N 378.473 -0.400 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)CC 1740365729 SWBBODSQRFLQGX-ZSAUSMIDSA-N 385.486 -0.235 30 10 GBEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2281989242 XGZNLKUNOFFLEL-MNOVXSKESA-N 385.251 -0.749 30 10 GBEE CC[C@](C)(NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282502589 NIDVJKUBGVZLMB-HNNXBMFYSA-N 386.283 -0.348 30 10 GBEE Cc1sc(C(=O)N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1B1OC(C)(C)C(C)(C)O1 2282618709 SRKVYHGBTKYBJM-SGMGOOAPSA-N 383.275 -0.106 30 10 GBEE CO[C@H]1C[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282838544 PXBZPNIBQIZNND-PHIMTYICSA-N 386.283 -0.182 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCc1ncno1 2282856380 RFMJAQVHDCSRLH-UHFFFAOYSA-N 383.239 -0.377 30 10 GBEE CNS(=O)(=O)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C 2285191602 HPWHPUPEJSBTKO-UHFFFAOYSA-N 383.279 -0.032 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2337394975 SUNINZUIBNZDFZ-NXEZZACHSA-N 388.276 -0.670 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@H]3CCO[C@]3(C#N)C2)[C@@H](O)C1 2358807081 DKDSGZIDYVELMA-JGTCGTHISA-N 381.429 -0.140 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2358807579 VOCRNFGRGMKGEJ-PLGIXQIDSA-N 381.429 -0.141 30 10 GBEE C[C@@H](C/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)N(C)C1CC1 329116752 NNMOYCVYZHSMFL-AWEZNQCLSA-N 389.522 -0.422 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3)C2)CC1 459885595 MQFBASFQUADNQA-KRWDZBQOSA-N 391.516 -0.623 30 10 GBEE Cn1[nH]cnc1=NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(C#N)C2)c1 594632004 XFVDCDCRXZAWIC-UHFFFAOYSA-N 382.427 -0.818 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](O)C(F)(F)C3)n2)cc1 595125419 PTLLAVIMRSEAOE-CYBMUJFWSA-N 390.350 0.365 30 10 GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)C2=O)cc1 595276193 KZVVXFOQFKCLNZ-BZUAXINKSA-N 387.415 -0.327 30 10 GBEE Cn1cc(/C=C/C(=O)OCC(=O)NCc2ccc(C#N)cc2)c(=O)n(C)c1=O 746566766 KCCHTKNYPBFTBZ-BQYQJAHWSA-N 382.376 -0.172 30 10 GBEE C#C[C@H]1COCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 837855496 MVLSRXSOHFCBSG-LBPRGKRZSA-N 382.398 -0.083 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ncccc2S(C)(=O)=O)C1=O 1116836263 UQGYYKHAVIISEL-UHFFFAOYSA-N 380.382 -0.922 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 1261397158 TWXQYWITJPQXSO-OALUTQOASA-N 385.464 -0.093 30 10 GBEE C#CCSCCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1328021236 HICYKZLTBGCLGB-NXEZZACHSA-N 386.417 -0.097 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)C1=O 1455913537 VUVAVWKKAHIWDA-GTNSWQLSSA-N 378.385 -0.300 30 10 GBEE COC(=O)C1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC(CO)C1 1457182641 JOWGPKHLFIETLN-UHFFFAOYSA-N 395.437 -0.455 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC=C 1539266693 RKFJPLBXKZIIAP-CQSZACIVSA-N 375.454 -0.445 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1O 1572857574 YBNWXMGNEJLTEJ-SYQHCUMBSA-N 382.461 -0.637 30 10 GBEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512882 VFHRIAMYDPSRLA-NJZAAPMLSA-N 389.499 -0.510 30 10 GBEE COC(=O)CCN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1637471173 ZIIFCFUVPQDHMO-OYLHUBKDSA-N 378.429 -0.001 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)c2nncn2C)ccc1F 1646081964 LDLOKCRKAVELSI-LBPRGKRZSA-N 383.405 -0.118 30 10 GBEE N#C[C@]12CN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1648155625 KDRQVYORQNVKRA-RVSPLBMKSA-N 395.412 -0.687 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1 1682691285 YPWFXIZSUNZSME-UHFFFAOYSA-N 385.486 -0.249 30 10 GBEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCS(=O)(=O)C1 1690677857 CIMWLLQCHABSOY-NSHDSACASA-N 379.446 -0.041 30 10 GBEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(O)n(C)c1=O 1702934035 WOLLBOMSGMUQNP-XBFCOCLRSA-N 376.413 -0.060 30 10 GBEE C#CCN1CCC(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1704943907 FNVOZRGYQWCPSB-ZXXIGWHRSA-N 375.469 -0.652 30 10 GBEE C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 1719098077 RIMYKKKGHNLXLA-KBUPBQIOSA-N 389.477 -0.013 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC=C 1748843423 DKRICQKFFCHOOK-CQSZACIVSA-N 375.454 -0.097 30 10 GBEE C#CCC(=O)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O 2060423721 LFJXJDVSRIANFU-UHFFFAOYSA-N 384.385 -0.827 30 10 GBEE Cn1cc(C(=O)NCCCNS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)n1 2282593359 PRMGSFHKAZKSEE-UHFFFAOYSA-N 386.283 -0.612 30 10 GBEE CNC[C@@H]1CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282841173 SNMBPDMSFPMXKA-NSHDSACASA-N 385.299 -0.513 30 10 GBEE CNS(=O)(=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nc(C)n1C 2362566074 JJQANRYNCHJXOK-UHFFFAOYSA-N 386.283 -0.693 30 10 GBEE CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(/O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)O1 330744499 DFWVFGJAAUACGD-SYQHCUMBSA-N 390.506 -0.014 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1=O 374597276 UHEDUUVVXQTZQQ-ZDUSSCGKSA-N 385.380 -0.330 30 10 GBEE COCCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1c1noc(COC)n1 409491968 ONTKZWAYDIWDPB-LBPRGKRZSA-N 389.434 -0.304 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 425909328 OBRGAJMZHIKARL-JYJNAYRXSA-N 380.489 -0.247 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC(F)(F)C[C@@H]2CO)CC1 594636209 GNYHCKAQRNVTOA-SNVBAGLBSA-N 387.430 -0.616 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)[C@@H]2CCCCO2)CC1 656350212 HPUOXZXJOJDXKW-HOTGVXAUSA-N 380.489 -0.103 30 10 GBEE 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C#CCN1CCN(c2nnc(COCC)n2CCS(=O)(=O)NC(C)C)CC1 1286484705 VJZVSOLALDYYOD-UHFFFAOYSA-N 398.533 -0.102 30 10 GBEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 1301305443 YDGMLFKDAVFEJW-MRXNPFEDSA-N 383.474 -0.428 30 10 GBEE N#C[C@@]12CN(C(=O)c3cc(S(N)(=O)=O)ccc3F)C[C@H]1CS(=O)(=O)C2 1304002805 XRDAXKIDNHYDPF-XPTSAGLGSA-N 387.414 -0.517 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 1327987373 LXJBQHBWEJDVGX-OUFNUQFJSA-N 376.413 -0.608 30 10 GBEE N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCNCCNCC2)CC1 1332434454 PIYVTUWMLLGLJQ-UHFFFAOYSA-N 384.484 -0.382 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2CCCC23CC3)CC1 1334678676 RQTOTXGEYNTULY-CQSZACIVSA-N 379.490 -0.157 30 10 GBEE C=CCn1c([C@H]2C[C@@H](O)CN2C)nnc1N1CCC(NC(=O)COC)CC1 1338773424 PCEOPEHPCZIKGB-HUUCEWRRSA-N 378.477 -0.067 30 10 GBEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1347658123 MGCQKNFTXUWCDJ-KFWWJZLASA-N 377.445 -0.187 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc2nncn2c1 1522180135 GUZGRBCXUBMHCS-ILXRZTDVSA-N 380.408 -0.270 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)nn2CC(=O)OCC)C1=O 1537847367 STOQWAABNUSEAB-UHFFFAOYSA-N 377.357 -0.330 30 10 GBEE Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612608745 ZTMNKOQHMWRPIF-TZFAWSOVSA-N 386.416 -0.673 30 10 GBEE C#CCN1CCN(c2nnc(CC3CC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690130838 NWTSXTZKHUOEKO-HNNXBMFYSA-N 385.472 -0.026 30 10 GBEE N#Cc1cn(CCN2CCN(Cc3nnc4n3CCCC4)CC2)c(=O)nc1O 1852903905 IXEIFBQLHVDCEY-UHFFFAOYSA-N 384.444 -0.434 30 10 GBEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1962823784 SSRBJDGNEXFFFV-UONOGXRCSA-N 377.445 -0.079 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](O)C(=O)O)OC1(C)C 2256894694 CMKPHMMTVOMREU-SECBINFHSA-N 377.249 -0.229 30 10 GBEE COC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2267717235 ZRVMQNGXRBNZDR-SECBINFHSA-N 390.292 -0.174 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](CN2)C1 2282299311 SLJVMPHWQQCOHV-MNOVXSKESA-N 383.283 -0.903 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]12COC[C@H]1C2 2282307026 WEJZPTCEPRMPCN-MEBBXXQBSA-N 384.267 -0.571 30 10 GBEE Cc1cc(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)ccc1B1OC(C)(C)C(C)(C)O1 2282309377 DUEGMBVERPXFEU-CABCVRRESA-N 382.291 -0.095 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](O)[C@@H](CO)C3)cc2)OC1(C)C 2282352167 KUTKSKXYKZNGPM-DOMZBBRYSA-N 383.275 -0.041 30 10 GBEE CC1(C)OB(c2ccc(F)cc2C(=O)NCCNS(N)(=O)=O)OC1(C)C 2282398022 VLSLTOLJPBQBQL-UHFFFAOYSA-N 387.242 -0.352 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@]2(O)C[C@H]2C1 2282424379 BFOJBTGAEIMIFA-ZUZCIYMTSA-N 384.267 -0.740 30 10 GBEE C=C(CS(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O)B1OC(C)(C)C(C)(C)O1 2282499357 OJUGMCPOWYQQMS-OAHLLOKOSA-N 385.251 -0.212 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3COC[C@H]3C2)n1 2282507809 MLDMCSXHIVPRLX-TXEJJXNPSA-N 383.279 -0.014 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H](O)[C@H](O)C3)ccc2F)OC1(C)C 2282510750 DGDQAEPZQOSXLS-OKILXGFUSA-N 387.238 -0.149 30 10 GBEE CC[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1O 2282834326 SICLOINNRSXDEW-WDEREUQCSA-N 386.283 -0.494 30 10 GBEE CN(CCOCCN)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838787 UTIMXRPLPCTYSI-UHFFFAOYSA-N 388.299 -0.685 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@](C)(O)CCO)c2)OC1(C)C 2282858106 RTNNXSANRDSBHX-INIZCTEOSA-N 386.279 -0.208 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@]2(CN)C1 2288258762 AAILCAJZZYZEBR-BMIGLBTASA-N 383.283 -0.916 30 10 GBEE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 414576755 IIYULHRHFUVOOL-GUYCJALGSA-N 390.415 -0.046 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)n1 431198120 NFBFQXHOJBFGCF-OAHLLOKOSA-N 396.451 -0.081 30 10 GBEE C[C@H](/C=C/[C@@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 514288286 AURHKHAKYLTFJN-NCHWGZSNSA-N 386.441 -0.719 30 10 GBEE biogenic COc1cnccc1N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601462936 ACVDWYSXLCOFGW-UHFFFAOYSA-N 386.456 -0.203 30 10 GBEE C#CCN(C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 729333216 RXOOWPVMCZIFSB-QWHCGFSZSA-N 381.454 -0.112 30 10 GBEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cn(CC(=O)N(C)C)nn1 734292425 NGAFPEYNVHFSQE-UHFFFAOYSA-N 376.398 -0.335 30 10 GBEE C#CCN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 774146040 SGGBJVBTEZQRKT-AWEZNQCLSA-N 399.494 -0.292 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2COC3=O)CC1 808930199 WQERLTQZSLFACO-UHFFFAOYSA-N 386.408 -0.258 30 10 GBEE COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1C#N 857089874 FYBQUCNDPKBBPU-GJZGRUSLSA-N 379.438 -0.517 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@]3(C)CNC[C@]3(C)C2)n1 863767686 SILAJNAJVMIJNF-BGYRXZFFSA-N 387.484 -0.051 30 10 GBEE N#Cc1cccc(CNC(=O)C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1118210660 LCBOONPNVUXLTO-QGZVFWFLSA-N 377.422 -0.409 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](COC)c2nn[nH]n2)s1 1155068597 KAIWIIFTDQPTAA-SNVBAGLBSA-N 386.459 -0.228 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 1194096536 JWAGJOHTKDXZON-CABCVRRESA-N 391.515 -0.641 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ncccn2)C2CC2)CC1 1255693797 PHLASKDTVKFXIY-CQSZACIVSA-N 378.458 -0.278 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(N)=O)C1 1286778780 IVXXUUSPNORFFN-LBPRGKRZSA-N 375.433 -0.872 30 10 GBEE C#CCN(C(=O)C(=O)NCCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1324259395 NDLYVOTXBWVBKG-INIZCTEOSA-N 378.450 -0.032 30 10 GBEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 1326809232 HHKPGYMTLWOSOQ-AWEZNQCLSA-N 381.440 -0.116 30 10 GBEE N#Cc1cccc2c1CN(C(=O)C(=O)N1CCC[C@@H](N3CCNCC3=O)C1)C2 1329747340 WGWXRTBERWXREB-MRXNPFEDSA-N 381.436 -0.177 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)CC1 1331516983 BEFUASYYTASVPJ-UHFFFAOYSA-N 378.473 -0.216 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)OCC)CC1 1334991419 AEMDQZCKRVTTPE-OWCLPIDISA-N 389.452 -0.368 30 10 GBEE C=CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1352062999 MWBKJUHCEFAVOZ-BBRMVZONSA-N 384.506 -0.543 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1507669791 ROGVUZABTGNIDR-MAUKXSAKSA-N 392.481 -0.206 30 10 GBEE N#C[C@]12CN(C(=O)CNC(=O)Cc3ccc(O)cc3)C[C@H]1CS(=O)(=O)C2 1558642779 CRSWVDYPHMEOEB-SUMWQHHRSA-N 377.422 -0.552 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1624387926 FUMSASDPRHUSEG-HOTGVXAUSA-N 386.518 -0.396 30 10 GBEE C#CCN(c1nnc(C)n1Cc1nnnn1CC1CC1)[C@H]1CCS(=O)(=O)C1 1689982199 JFYYDAXFAOCCNL-AWEZNQCLSA-N 390.473 -0.342 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1734121004 YPUQGSDZJHRRST-SSLCOKDMSA-N 376.457 -0.142 30 10 GBEE CC1(C)OB(c2cccnc2N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)OC1(C)C 2241103753 DUPBLFKRKVPDHH-KBPBESRZSA-N 379.291 -0.044 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC(CN)(CO)CO)OC1(C)C 2267713403 ODMSRBZJMYZNNF-UHFFFAOYSA-N 392.308 -0.992 30 10 GBEE CN(CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2281963530 MKKWDEQKHVJVIE-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282832216 LMSLJZQHMKLBTN-VXGBXAGGSA-N 384.311 -0.065 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCOC1 2282846036 CGMXKXKGBWEHQR-NSHDSACASA-N 386.283 -0.181 30 10 GBEE Cn1cnc(CNS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)n1 2282863742 VSYWCHMLWKFEFG-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE C#CC[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284396286 ULXLXPKLZYMUAE-NSHDSACASA-N 383.235 -0.526 30 10 GBEE CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2286749613 REBBLWXWCNOMBM-BREBYQMCSA-N 387.267 -0.854 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N[C@@H](CCS)C(=O)O 2310486086 SROHCIHVGPPNSG-ZRUFSTJUSA-N 378.447 -0.393 30 10 GBEE C#CCCN1CCC(NC(=O)[C@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CC1 2358144581 SKLBUQBRMLAUQW-BZUAXINKSA-N 381.473 -0.069 30 10 GBEE 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Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H]4[C@@H](CCN4C)C3)CC2)c1C#N 867549645 RIFXSMVYWMPSSW-RDJZCZTQSA-N 399.499 -0.199 30 10 GBEE C=C1[C@H](C(=O)N2CCOC[C@]23CCOC3)[C@H]1C(=O)N1CCOC[C@]12CCOC2 908002214 HRSFPXPRVRDHEB-XAMWDVODSA-N 392.452 -0.176 30 10 GBEE C#CCN(C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)C1CCN(C)CC1 910886509 MNAMMAHLAPQOBR-HNNXBMFYSA-N 375.473 -0.395 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C1CCN(C)CC1 910887089 ZDPBHHZPWLPNFA-LJQANCHMSA-N 389.544 -0.219 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN3CCOC[C@]3(CO)C2)CC1 1198165120 NXKFDNGCETXWMX-PKOBYXMFSA-N 379.505 -0.942 30 10 GBEE COCCCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 1292177169 ZCDPARRGCTZGTA-WPCFGXOUSA-N 399.469 -0.045 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)CCN1C1CC1 1332442937 KZGDQKNIGRACBE-AWEZNQCLSA-N 395.419 -0.402 30 10 GBEE CCc1noc(C[C@]2(O)CCCN(C(=O)C(=O)N3CC[C@](F)(C#N)C3)C2)n1 1351422358 NRGUPQKDLUMQDY-DLBZAZTESA-N 379.392 -0.008 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H]2CCO[C@@H](C)C2)CC1 1464368888 OAOWGZNSLZKOCE-KBPBESRZSA-N 379.504 -0.784 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 1471450710 HMYFCXOKDKZQFZ-UHFFFAOYSA-N 394.482 -0.387 30 10 GBEE COC(=O)[C@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCOC1 1472634112 MUMMWFWVWFWSOT-INIZCTEOSA-N 381.410 -0.468 30 10 GBEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)N2CCOCC2)CCO1 1505321565 CDIIFTYIMPITPN-KGLIPLIRSA-N 376.417 -0.630 30 10 GBEE C#CCN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 1544078586 JJTZPROMGBMUAK-CQSZACIVSA-N 392.481 -0.380 30 10 GBEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1557976550 YHCJBZFCNXCCHA-QMTHXVAHSA-N 381.410 -0.581 30 10 GBEE N#Cc1cn(CC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)c(=O)nc1O 1634106856 CDYXHDQOTGFXQX-QGZVFWFLSA-N 397.435 -0.120 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)n1C 1656779336 WHVYIXGGFZBFTH-UHFFFAOYSA-N 380.360 -0.018 30 10 GBEE C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(C(C)=O)CCO1 1719825828 FAJYKNQIERDUPE-QZWWFDLISA-N 377.441 -0.478 30 10 GBEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)CCN1CCC#N 1856189877 YHJDMQRXKFCAFF-CABCVRRESA-N 386.456 -0.030 30 10 GBEE C[C@H](C#N)S(=O)(=O)N1CCS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 2063605436 RWRLYIFZDBXDFY-LLVKDONJSA-N 393.487 -0.052 30 10 GBEE CC1(C)OB(c2cc(C(=O)NCCNS(C)(=O)=O)ns2)OC1(C)C 2255656683 FAYXXUALQPGFTE-UHFFFAOYSA-N 375.281 -0.279 30 10 GBEE Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281990649 POQJBRMMFNBVCR-LLVKDONJSA-N 383.279 -0.055 30 10 GBEE CN(CC(F)(F)CO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282334159 XZBGKJQQRLZYEL-UHFFFAOYSA-N 395.237 -0.033 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1=CCOCC1 2282839111 ZBVMAHBYBCUPOJ-UHFFFAOYSA-N 384.267 -0.261 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]2[C@H](O)C[C@H]21 2282859897 RSSTUNZVAPIVTI-QJPTWQEYSA-N 383.279 -0.137 30 10 GBEE CC#CC[C@@H](NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)O 2313850808 PDKUPEGJTWXDSJ-GHMZBOCLSA-N 376.431 -0.093 30 10 GBEE CC(=O)N1CCN(C(=O)CC/N=C(/O)N[C@@H](C)C(=O)N2CCCCC2)CC1 329669493 MKEBMLHMCVKXQO-AWEZNQCLSA-N 381.477 -0.028 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CCCS(C)(=O)=O 465507804 GERGYLWEMPSACW-LBPRGKRZSA-N 387.487 -0.377 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC)nc2)CC1 473637667 KKLJSBKXQBXGBU-UHFFFAOYSA-N 381.458 -0.950 30 10 GBEE C=CCNC(=O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 540798875 MQPFMNDKUREQQY-MGPQQGTHSA-N 385.486 -0.486 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)c1 572303341 FAVUFIBCMJQSKX-WDEREUQCSA-N 386.455 -0.614 30 10 GBEE CN1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)C3CC3)c2)CC1=O 580785304 UXOUXGBPIZVIRJ-UHFFFAOYSA-N 398.466 -0.217 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1C 587647213 HCGAJCJZKWBCHD-CYBMUJFWSA-N 384.440 -0.273 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)c1 594630185 KPSDXFOXJVOYQA-RYUDHWBXSA-N 398.466 -0.470 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@H](O)C23CCC3)CC1 595959165 ARDSQQRCKYEJOQ-RYUDHWBXSA-N 377.488 -0.425 30 10 GBEE Cn1c(N2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 596450370 UYLPDOXBXQEKAC-ADLMAVQZSA-N 376.413 -0.250 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 1118063714 MEUKKTCXZVPZBE-KRWDZBQOSA-N 399.447 -0.137 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCO[C@@]2(CCSC2)C1 1261467278 FEXGZGHCIJPCTC-CLVCIHKQSA-N 394.453 -0.637 30 10 GBEE COC1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS(=O)(=O)C1 1268982810 MVJGYWRIHXXRSY-CQSZACIVSA-N 377.422 -0.017 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)NCC(F)F 1282652473 ZHNFEOHBBMUZSW-RFGFWPKPSA-N 382.411 -0.287 30 10 GBEE C=CCC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1297799933 AJWUFFIWUHIDSO-LBPRGKRZSA-N 390.483 -0.188 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1nnnn1CC1CC1 1327540955 JWBIQYOBMRGAFH-HNNXBMFYSA-N 383.412 -0.237 30 10 GBEE C=CCCSCCNC(=O)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1328170484 ASCDHJUNKHKLRT-HNNXBMFYSA-N 376.500 -0.172 30 10 GBEE COCCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2S1(=O)=O 1450158157 BAJGYJDHJMZBNC-NSHDSACASA-N 383.382 -0.803 30 10 GBEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C2CCS(=O)(=O)CC2)n1 1463632133 JKXLRNHORYCOHH-UHFFFAOYSA-N 389.499 -0.128 30 10 GBEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(S(C)(=O)=O)CC1 1508144316 CQIXWYIDDYXPJW-UHFFFAOYSA-N 391.519 -0.477 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1522180572 OREMPYMAEWVQNJ-CRWXNKLISA-N 376.413 -0.833 30 10 GBEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@]12COCCN1C(=O)COC2 1535336736 SZTYIYAPMBLAGY-ROUUACIJSA-N 381.429 -0.008 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1 1569779231 APQWENRRYHGMIL-SOUVJXGZSA-N 378.473 -0.013 30 10 GBEE CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1573008989 YXAPVIOETXPMKP-WVWOOGAGSA-N 378.347 -0.320 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOCC1 1595467569 XNEBRQHNCOGHFX-UHFFFAOYSA-N 393.492 -0.513 30 10 GBEE N#Cc1cn(C2CN(C(=O)Cn3ncc(=O)c4ccccc43)C2)c(=O)nc1O 1640636312 BAHKAQJYRDFEOA-UHFFFAOYSA-N 378.348 -0.386 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705903417 VFCVTDGRDZWXJE-GJZGRUSLSA-N 392.460 -0.575 30 10 GBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@@H]1O 1719272837 KDBHTIKNXDUONH-VXNCWWDNSA-N 387.436 -0.113 30 10 GBEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740610324 WYQRDRUFMFUGET-GJZGRUSLSA-N 381.502 -0.030 30 10 GBEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748803253 WVXLKSHVSFQHGS-GFCCVEGCSA-N 392.489 -0.226 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC#CCN1CCOCC1 1850334304 MNPCXYVMJXISAM-AWEZNQCLSA-N 383.445 -0.056 30 10 GBEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)Cc3ccccc3)C(=O)C2)C1 1856851273 XBWOININVVMVEL-MRXNPFEDSA-N 390.465 -0.172 30 10 GBEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CN3CCCS3(=O)=O)C(=O)C2)C1 1856858397 RINLQQNRYBQBPD-HNNXBMFYSA-N 384.502 -0.657 30 10 GBEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2281990174 JSUPQTNZAAWOQS-QWRGUYRKSA-N 385.251 -0.749 30 10 GBEE C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2282058118 POPIOPLGDHHDCP-CMPLNLGQSA-N 381.263 -0.061 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](C1)C2N 2282321777 BMBRRXQLDPKDQF-ZACCUICWSA-N 383.283 -0.918 30 10 GBEE CC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)O 2282328448 XSCHYXXVKIBBEC-JTQLQIEISA-N 388.299 -0.058 30 10 GBEE COCC1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)COC1 2282331254 LLJSDUDTFGVHMP-UHFFFAOYSA-N 387.267 -0.587 30 10 GBEE COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282340277 DCPFMUCWEBTSBU-ZDUSSCGKSA-N 385.247 -0.202 30 10 GBEE C[C@H]1CNC[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282845839 ZSBOUGYNGJUCNZ-VXGBXAGGSA-N 384.311 -0.004 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCNC[C@@H]3C#N)c2)OC1(C)C 2282860280 YADIGSYBBMAJSM-ZDUSSCGKSA-N 378.263 -0.133 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@@H]1C(=O)O 2284401887 KJBFRTCUHJZJTA-DTWKUNHWSA-N 386.239 -0.744 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2319393601 LFLNPBLWGABZEP-RYUDHWBXSA-N 395.499 -0.134 30 10 GBEE C/N=C(/NCc1cnc(N(C)C)n1C)N1CCN(c2nccn(C)c2=O)CC1 262823553 XNVSMCHTOSHMDO-UHFFFAOYSA-N 387.492 -0.523 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCn2ccnc21 349572729 KUCGGEUDSHAZKV-VXGBXAGGSA-N 375.476 -0.189 30 10 GBEE N#CCC(=O)N1CCN(CCOCCN2CCN(C(=O)CC#N)CC2)CC1 567624654 VOEVPHFZSXUYFJ-UHFFFAOYSA-N 376.461 -0.881 30 10 GBEE CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1 567844867 BARPWYQYTYPEAS-HNNXBMFYSA-N 378.454 -0.091 30 10 GBEE C=CCNC(=O)CN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596062794 MJBPZRPOPIVISW-UHFFFAOYSA-N 383.430 -0.334 30 10 GBEE C=CCOc1cccc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1 628031669 OLMIMEWGDMTFGO-UHFFFAOYSA-N 382.442 -0.203 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 673281926 CBOVJXBCIGQIAN-SFHVURJKSA-N 399.495 -0.264 30 10 GBEE CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 846770068 HWHUDIRMECABDI-GFCCVEGCSA-N 394.475 -0.936 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C)c1 848955341 WLFXRNSTIRMTNN-KGLIPLIRSA-N 397.478 -0.022 30 10 GBEE CC(C)[C@@H](NC1CCOCC1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 863934269 IIKVMRFKWYFSIO-OAHLLOKOSA-N 375.429 -0.003 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCCc2nc(C)ncc21)[C@H]1CCS(=O)(=O)C1 1117372008 FECZHQWTSUTYDS-XJKSGUPXSA-N 390.465 -0.072 30 10 GBEE C=CCN(CCOC)C(=O)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1118888299 OZINKNZHQNBRBH-SFHVURJKSA-N 383.445 -0.876 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)CNC2=O)s1 1136728260 STAKNPIZGJQUAO-UHFFFAOYSA-N 386.455 -0.577 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN(C)C2=O 1261601444 PGILSPZEKGTTCY-UHFFFAOYSA-N 379.438 -0.030 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCc2nccnc2C1 1261618970 VNJWQOFFQHOBTR-CYBMUJFWSA-N 392.423 -0.240 30 10 GBEE N#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1280390196 UOTXJCYLFGKMFE-YQQAZPJKSA-N 376.457 -0.398 30 10 GBEE COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(CC#N)cc2)cn1 1326049171 ZTNLFNXXNBZWEI-UHFFFAOYSA-N 398.423 -0.033 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 1327199357 FBXZGEJXGSANHQ-CFVMTHIKSA-N 375.429 -0.166 30 10 GBEE C#CCN(CC(=O)N1CCn2cncc2C1)CC(=O)N1CCn2cncc2C1 1330248145 PONOMPZPEMISKD-UHFFFAOYSA-N 381.440 -0.601 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)COCc2nncn2C)[C@H](C)C1 1513290509 CNHQVWQWVBLHDF-TUVASFSCSA-N 377.445 -0.114 30 10 GBEE NS(=O)(=O)c1ccc(OCCSCC(=O)N[C@@H]2CCN(O)C2=O)cc1 1556750051 XMDSNKPWQXYHLX-GFCCVEGCSA-N 389.455 -0.448 30 10 GBEE C#CC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1557601918 BVGIIIUZJOLZRY-UHFFFAOYSA-N 379.438 -0.090 30 10 GBEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1617488367 XQLLESOEFFYZQC-HZMBPMFUSA-N 387.439 -0.460 30 10 GBEE C=CCNC(=O)c1ccc(NC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 1622929786 XHCDVKHRVDMWEJ-CQSZACIVSA-N 379.442 -0.032 30 10 GBEE COCCn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(=O)cc1C 1635698388 SRSOTMGSIVENNG-GUYCJALGSA-N 379.438 -0.187 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1686233206 NAWUNWSTWDKRJC-SYQHCUMBSA-N 375.433 -0.457 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1690047189 MEFPWJWUHMNDSP-CQSZACIVSA-N 387.469 -0.180 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1719925793 DDPIAYNJCMRFNJ-KFWWJZLASA-N 377.445 -0.269 30 10 GBEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)NS(C)(=O)=O 1722704167 PJOZEXHQNHCYAP-SNVBAGLBSA-N 382.450 -0.332 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCOCC2=O)C1 1736105918 SLBXJABLJUPRNE-JJXSEGSLSA-N 379.457 -0.163 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740959663 CDPJBPFUHXXCEB-CHWSQXEVSA-N 376.417 -0.275 30 10 GBEE Cn1c(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cc(=O)n(C)c1=O 1850518815 UEDYTMBHWLAEGQ-UHFFFAOYSA-N 382.424 -0.284 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)Cn2cccn2)C1=O 1854290296 HCCUBSYXTVOTJE-MRXNPFEDSA-N 394.439 -0.117 30 10 GBEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267360207 SHYQRDAWKGMJKP-MXUQEVIESA-N 392.312 -0.840 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)OC1(C)C 2281927324 YGBKDTIXYSVOFN-CMPLNLGQSA-N 381.263 -0.032 30 10 GBEE Cn1nc(C(=O)N2CC[C@@](O)(CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040987 QMAKSCQXKKUOKT-INIZCTEOSA-N 385.657 -0.058 30 10 GBEE CCS(=O)(=O)C[C@H](C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282051994 KWKIKEJWDMVRNX-JTQLQIEISA-N 386.283 -0.333 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](F)C[C@@H](O)C1 2282320048 CGIUPIPXEBYOED-VHSXEESVSA-N 390.246 -0.792 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2NCC2(C)C)n1 2282497795 UYTQAFZAZSJPMV-GFCCVEGCSA-N 384.311 -0.004 30 10 GBEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)S(N)(=O)=O)n1 2282590368 AHBATVFGQYYPCL-JTQLQIEISA-N 386.283 -0.391 30 10 GBEE Cc1nc(S(=O)(=O)N[C@@]23CNC[C@H]2C3)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843277 LAIXTFWULLVXNZ-BZNIZROVSA-N 382.295 -0.332 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CNC[C@@H]3O)ccc2F)OC1(C)C 2282847242 WLAOPHIUNVLWLV-KBPBESRZSA-N 386.254 -0.264 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1[C@@H]2COC[C@H]12 2282854581 UBXSMRQIDHTRKP-CNDDSTCGSA-N 383.279 -0.110 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1N 2282855167 AMZVNNZLSSYSJJ-WDEREUQCSA-N 386.283 -0.886 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CCOC[C@H]2[C@@H](O)CO)OC1(C)C 2362499305 RVUUXMCDDNELKV-RYUDHWBXSA-N 384.263 -0.364 30 10 GBEE C/N=C(/NC[C@@H]1CN(C)CCO1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 157012222 GXJKBVIFWKQONM-IAGOWNOFSA-N 380.537 -0.479 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)[C@H](C)C1 349507526 YKTCYAZRRRXJCI-NWDGAFQWSA-N 380.492 -0.958 30 10 GBEE C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(C#N)n2)CC1 545506275 VELPHXJEMULUDS-ZFWWWQNUSA-N 377.470 -0.233 30 10 GBEE N#Cc1cccc(C(=O)NCCNC(=S)N[C@@H](CCC(N)=O)C(=O)O)c1 585862319 WMMVOFPNFDOOPL-LBPRGKRZSA-N 377.426 -0.529 30 10 GBEE CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594622690 XCHBKJKMEYIOII-UHFFFAOYSA-N 398.470 -0.172 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1 612724163 RSWDBERUUZUNNX-UHFFFAOYSA-N 391.428 -0.505 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1 848958446 OHQIYFNTTPPUJG-RYUDHWBXSA-N 394.475 -0.936 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 850682223 OPIXADUBPXEMNP-ZWKOTPCHSA-N 386.452 -0.017 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)CC1 910550100 OXCWBHGKUGKUFX-CVEARBPZSA-N 378.473 -0.540 30 10 GBEE C#CCN(C(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)C1CCN(C)CC1 910886523 MXTJEPOHCGBLMO-MRXNPFEDSA-N 377.489 -0.243 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)CC1 913788415 CVYCJIIWADBPDQ-INIZCTEOSA-N 390.465 -0.137 30 10 GBEE N#Cc1ncn(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n1 1157096958 FMWNVKLROQOAEO-HIFRSBDPSA-N 386.387 -0.390 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc2n1CCC2 1300603306 YWPNMVUZIWJXRJ-GFCCVEGCSA-N 392.489 -0.066 30 10 GBEE CC(C)N[C@@H]1CCCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1331448709 WIPOPUAKOVLGSO-CYBMUJFWSA-N 388.428 -0.807 30 10 GBEE CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1331628483 JMTDMKDUWXGOTK-LBPRGKRZSA-N 388.428 -0.807 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 1336132651 PPYLGEZJEBPOOO-PVPMGCCUSA-N 386.518 -0.046 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(O)(c3cnnn3C)C2)ccc1F 1455165198 OSXSDVKGIAUOSQ-UHFFFAOYSA-N 395.416 -0.238 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]12COCCN1C(=O)OC2 1532545983 CMMRPBSPLVXLID-INIZCTEOSA-N 394.409 -0.938 30 10 GBEE C#CCN(c1nnc(CC)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1705569957 IVAGOOFVUMHVSU-GUYCJALGSA-N 379.486 -0.055 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCCC 1705590039 ZJVNWYXKPMJTBX-AWEZNQCLSA-N 394.501 -0.123 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCc2cccnc2)C1 1739448463 GXSYQJBJXPCYHZ-VQHPVUNQSA-N 375.425 -0.123 30 10 GBEE Cn1cnnc1COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CSCC#N 1757825599 FUOBPGDAENWJBQ-UPJWGTAASA-N 378.458 -0.163 30 10 GBEE C#CCS(=O)(=O)CCNC(=O)[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1852954187 WKFWFABCIVXWNB-ZDUSSCGKSA-N 378.516 -0.704 30 10 GBEE C#CCCN1CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)CC1 2184052407 RGFUHQRQSPAIAT-OWCLPIDISA-N 381.473 -0.115 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3COC[C@@H]3O)c2)OC1(C)C 2282289920 JZYODLMXXVFKCV-RISCZKNCSA-N 384.263 -0.334 30 10 GBEE CN(CC1(O)CCC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282308861 XAQVLDWTIMXFGK-UHFFFAOYSA-N 386.283 -0.350 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H](CN)C1 2282316590 FKCCGLFXCXIOEQ-NSHDSACASA-N 385.299 -0.526 30 10 GBEE CN([C@H]1COC[C@H]1O)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282507082 BNOAWMFUSCZLMU-NWDGAFQWSA-N 387.267 -0.901 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 2282696290 AVLXLVCKMNTGNZ-VHSXEESVSA-N 382.251 -0.874 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@]1(C)C(=O)O 2284403778 UPUGFSXKFKOPTF-OAHLLOKOSA-N 385.251 -0.043 30 10 GBEE CCS(=O)(=O)N1CCN(/C(O)=N/Cc2ncccc2S(C)(=O)=O)CC1 331132502 HBLFYMVOSAHSFH-UHFFFAOYSA-N 390.487 -0.134 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CO 349515370 HCXJIFIZBPNUOX-UONOGXRCSA-N 395.503 -0.893 30 10 GBEE 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376.501 -0.398 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 1359287562 LEVMEUOWJAGVCF-GFCCVEGCSA-N 389.503 -0.634 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1 1359293034 FHFKKGXKBGJQDI-KGLIPLIRSA-N 394.476 -0.029 30 10 GBEE N#Cc1cn(CCNC(=O)NC[C@@H]2CCC3(CCOCC3)O2)c(=O)nc1O 1565420715 KLJIPDLXMMZBDR-ZDUSSCGKSA-N 377.401 -0.152 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(O)n(C)c1=O 1574442852 PBNBHGZAKNMYJU-OVNJVVJPSA-N 376.413 -0.325 30 10 GBEE CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C#N)[nH]1 1574475055 REUSVKMFUBWHTJ-BNOWGMLFSA-N 379.442 -0.313 30 10 GBEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1597692271 RNKVOZRCVWCJDH-RYUDHWBXSA-N 377.401 -0.790 30 10 GBEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1620354588 APVQKCBIHDGNEY-OLZOCXBDSA-N 389.441 -0.101 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=NN(CC(C)C)C(=O)CC2)CC1 1636480337 NCDFMGWQDLZETK-UHFFFAOYSA-N 383.474 -0.767 30 10 GBEE 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Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)CCN1 2362335984 CCKWNEMKROBDDF-UHFFFAOYSA-N 384.267 -0.906 30 10 GBEE CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C 5138299 ZTDAMCPLHAKWAY-GVXVVHGQSA-N 375.422 -0.753 30 10 GBEE C/N=C(/NC[C@H]1CCc2nnc(C)n2C1)N1CCN(CC(=O)NC(C)C)CC1 262798651 QGIJPRHIDTYNPA-MRXNPFEDSA-N 390.536 -0.133 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCCS(=O)(=O)N1CCOC1 349596991 CDZQFRLWUOUYDS-ZDUSSCGKSA-N 381.476 -0.670 30 10 GBEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 599692536 VEBVMTLJQDKUQF-IAGOWNOFSA-N 399.561 -0.060 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cnc21 603136775 OCEKZZSSFCXDBA-UHFFFAOYSA-N 378.396 -0.255 30 10 GBEE C=CCN1CC[C@H](N(C)S(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)C1=O 632301632 IRJBPSKFAFJMFE-STQMWFEESA-N 379.504 -0.684 30 10 GBEE C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)[C@@H]1CCS(=O)(=O)C1 759696965 GPDOQNBSWSLSST-CYBMUJFWSA-N 399.494 -0.297 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(N)(=O)=O)cn2)n1 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GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)CC1(C#N)CCC1 2225627683 OHOSSLHBILHPCK-FRRDWIJNSA-N 389.474 -0.059 30 10 GBEE CCNc1nc[nH]c(=NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c1C#N 2234030692 QXVPWULHNHRPSD-UPJWGTAASA-N 378.433 -0.045 30 10 GBEE Cc1sc(C(=O)NCCNS(N)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2267119526 XAGLVQQQGRTJRM-UHFFFAOYSA-N 389.308 -0.121 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC(CN)(CO)CO)s2)OC1(C)C 2267370684 PDQQJMJOEADYNK-UHFFFAOYSA-N 392.308 -0.992 30 10 GBEE CC1(C)OB(c2ccnc(N3CCN[C@@H]4CS(=O)(=O)C[C@H]43)c2)OC1(C)C 2280770163 SSYVJDGNZLIAIF-ZIAGYGMSSA-N 379.291 -0.044 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2[nH]n(C)cc2S(N)(=O)=O)C1 2281450078 LYCSIXOASHFGKV-UHFFFAOYSA-N 397.457 -0.265 30 10 GBEE C[C@@H](O)CNCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282354724 UWPPWVYFRJZKPV-GFCCVEGCSA-N 385.295 -0.371 30 10 GBEE CN1CC2(C1)CN(S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C2 2282495779 RCNINDMVRRWFDN-UHFFFAOYSA-N 382.295 -0.345 30 10 GBEE C#C[C@@]1(O)CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282859126 IDYPXVXPVBDKDG-MRXNPFEDSA-N 381.263 -0.522 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCC1CNC1 2282861148 KWKHMFTVWKOOIN-UHFFFAOYSA-N 385.299 -0.608 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2362343217 DEJGJMILNYRWDB-URLYPYJESA-N 381.263 -0.508 30 10 GBEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1 349468732 JKGCHWQSYIPMTC-UHFFFAOYSA-N 384.483 -0.043 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)C1=O 410884595 SEWANOAOTKDUSO-AWEZNQCLSA-N 394.472 -0.673 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc3c(s2)COCC3)CC1 491171968 OQBZCIYCYSDFPY-UHFFFAOYSA-N 393.469 -0.399 30 10 GBEE C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 561715463 AQQLVGQOJKUXKL-HOCLYGCPSA-N 387.440 -0.088 30 10 GBEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)cc1 593644727 RSAURNZVXLWTKC-WDEREUQCSA-N 378.410 -0.043 30 10 GBEE 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N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(-n4cccn4)nn3)C(=O)C2)C1 1855072619 KUATVSRHCPHFRF-OAHLLOKOSA-N 394.439 -0.065 30 10 GBEE C#CCC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C(=O)O 1890865538 VAPBBPBVEHBJRN-NWDGAFQWSA-N 388.442 -0.093 30 10 GBEE CN(CC[S@](C)=O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267711829 QIWZZNHTPYZNAM-DEOSSOPVSA-N 391.324 -0.282 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1CC(O)C1 2282289294 WISDLIIGUHXATH-UHFFFAOYSA-N 386.283 -0.446 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CNC(C)(C)C1 2282308760 VTSMCXJCHYKHCI-SNVBAGLBSA-N 385.299 -0.467 30 10 GBEE CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282325689 ILLNXOLQMXGQOJ-PHIMTYICSA-N 386.283 -0.088 30 10 GBEE C#CCN(C)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329552 OBDIZQXTKQJJKQ-UHFFFAOYSA-N 382.295 -0.437 30 10 GBEE Cn1ncnc1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334493 CBMOSPWQDZCDRT-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]12CCNC[C@H]1C2 2282339275 SYSBJGWLDKUOHA-BDJLRTHQSA-N 382.295 -0.250 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCOC[C@@H]3CO)c2)OC1(C)C 2282844238 AFSHTKOWAABDST-ZDUSSCGKSA-N 384.263 -0.237 30 10 GBEE CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]31[C@@H]24 8221334 FJHVIRYYVWNHSM-FOSMHHDRSA-N 394.420 -0.863 30 10 GBEE biogenic,in-vitro C#CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 106387155 HKGFUJKLPCRVFW-OVYGPGRDSA-N 386.353 -0.281 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 425910255 UROBMEMZEKJSKT-ULQDDVLXSA-N 392.500 -0.151 30 10 GBEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccnn1C 592171077 RLBHBIFOMHRGMX-NVXWUHKLSA-N 376.461 -0.084 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 672309739 SQEHMSVMECXLIR-MRXNPFEDSA-N 377.489 -0.967 30 10 GBEE CC1(C)OB(c2cnc(CNC(=O)CNS(C)(=O)=O)s2)OC1(C)C 714637495 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KBEDURSXAUACTK-WFASDCNBSA-N 398.466 -0.853 30 10 GBEE C#CCSCCNC(=O)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1326412297 HDQFZMBJHHCAQC-LBPRGKRZSA-N 382.463 -0.180 30 10 GBEE COc1ccc(CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1327262817 BUXIDFOYYHOMIN-WUKNDPDISA-N 386.408 -0.004 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)C1=O 1329761534 YMBXJCPOPQDNPG-MCIONIFRSA-N 383.470 -0.875 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@H]2C[C@@H](N(C)C)CC[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 1335493835 OFBHZSSZKQIAJR-VVLHAWIVSA-N 395.525 -0.176 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1 1345688441 DPBWUUMECWRZDA-HNNXBMFYSA-N 391.476 -0.861 30 10 GBEE C=C(C)Cn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CCN2CCOC[C@@H]2C1 1345961298 DBTHRXAOLCWRPJ-STQMWFEESA-N 375.433 -0.402 30 10 GBEE CCOC[C@H]1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1348210200 LYZNFPKBWQVSRA-NSHDSACASA-N 375.385 -0.911 30 10 GBEE C#CCN(c1nnc(C)n1CCS(=O)(=O)CC=C)[C@H]1CCS(=O)(=O)C1 1358957500 VJLYOEFURCWAAS-AWEZNQCLSA-N 386.499 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C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1722298703 HWWCXWMIOGNIFR-CQSZACIVSA-N 394.501 -0.106 30 10 GBEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740946552 YVBPHGCBSGMGFG-ZDUSSCGKSA-N 389.460 -0.412 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)CCn2ccnc2)C1=O 1857154648 YXFIVPKWIQFZHH-MRXNPFEDSA-N 394.439 -0.117 30 10 GBEE N#CCC(=O)N1CCN([C@@H]2CCN(CCCc3cnc4ncnn4c3)C2)CC1=O 1857302486 NBZFFDTXPBXNEB-MRXNPFEDSA-N 396.455 -0.284 30 10 GBEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)N2CC(C#N)C2)CC1 2118172427 VJSNUIQIUYXOIH-UHFFFAOYSA-N 387.462 -0.645 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(N)=O)CNC3)s2)OC1(C)C 2267373141 ZHFLEKBMPRJLCK-UHFFFAOYSA-N 387.292 -0.847 30 10 GBEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267712102 UAGDQCRZXROFST-JUZXBQNTSA-N 391.324 -0.235 30 10 GBEE Cn1nc(C(=O)N2CC(=O)NC(=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282049463 ZNFBVJPIJZOPAA-UHFFFAOYSA-N 382.613 -0.529 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@]3(C)CC(=O)N3)c2)OC1(C)C 2282289062 CIWJOGMIOFZDOV-INIZCTEOSA-N 381.263 -0.062 30 10 GBEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H](C)O1 2282318056 CKZVTDSZLWHCOE-MXWKQRLJSA-N 386.283 -0.042 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC12CC(O)C2 2282342063 BQONCZKANPPVTO-YWFMTQBDSA-N 383.279 -0.089 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](O)[C@H](O)C3)c(F)c2)OC1(C)C 2282832583 BDXBAVQWLMQVJK-CHWSQXEVSA-N 387.238 -0.149 30 10 GBEE CN1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]2C[C@@H]21 2282869173 YLKMDLCRKOCKQZ-WDEREUQCSA-N 383.283 -0.809 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOC(C)(C)C(=O)O 2284403338 OYHKXUQEXJGBRE-UHFFFAOYSA-N 389.239 -0.208 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3C[C@@]3(CN)C2)n1 2288260028 HKVXOSZJZLOHQI-BDJLRTHQSA-N 382.295 -0.311 30 10 GBEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CCS(=O)(=O)N2)OC1(C)C 2337334564 OAIQXOGWJRACDO-VIFPVBQESA-N 387.292 -0.136 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCO[C@H](c3ccco3)C2)CC1 459886693 PBJQSAGCKALNFI-INIZCTEOSA-N 390.440 -0.374 30 10 GBEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC)CC1 549421241 SSQJINMFDALISV-UHFFFAOYSA-N 375.477 -0.042 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 593630063 ILLVACDAAJOABM-LLVKDONJSA-N 387.439 -0.343 30 10 GBEE COCCNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 732494456 HINNILSIFKPIPX-WBVHZDCISA-N 398.419 -0.066 30 10 GBEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cn1 772313654 LUHZIDSTHKIJOE-UHFFFAOYSA-N 383.433 -0.436 30 10 GBEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 780874561 GNQILDJLAMLKDR-INIZCTEOSA-N 394.453 -0.687 30 10 GBEE C#CCNc1nc(NCC[C@]2(O)CCOC2)nc(NCC[C@]2(O)CCOC2)n1 845669951 XTEBJGVEJHODFW-ROUUACIJSA-N 392.460 -0.177 30 10 GBEE C#CC[C@@H](CCOC)NC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 875598261 TWJOWWHXFKQMEY-SRVKXCTJSA-N 398.403 -0.035 30 10 GBEE 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30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1 1344802058 MTXJRLGMYOWKLO-DLBZAZTESA-N 392.500 -0.055 30 10 GBEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1627265824 TWWPITAEUMLHAD-UVGZWBPASA-N 378.429 -0.491 30 10 GBEE O=C(NCC#C[C@@H]1CCCCO1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1637186703 XEWXWOVANAAACP-KGLIPLIRSA-N 381.454 -0.159 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722699198 DIZZORPWZKMYMF-UHFFFAOYSA-N 391.476 -0.684 30 10 GBEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N(C)C)CC1 1748979338 XRXQMDGKJGWEAF-LJQANCHMSA-N 390.488 -0.226 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CS)C(=O)O 2009915966 LXMFUXMENUIKRI-IUCAKERBSA-N 384.476 -0.186 30 10 GBEE N#CCNC(=O)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019100373 WWHAKKTVFXQBLJ-ZDUSSCGKSA-N 397.409 -0.189 30 10 GBEE Cc1nc(S(=O)(=O)NOCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2269040396 LZHNXAYIETUKCZ-UHFFFAOYSA-N 375.212 -0.678 30 10 GBEE 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C#CCN(CCOC)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282844883 KEBLDHHOPALPRU-UHFFFAOYSA-N 383.279 -0.010 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](CO)CCCO 2282851630 DZXURNRDFOYBOK-NSHDSACASA-N 389.283 -0.869 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCO[C@H](CN)C3)c2)OC1(C)C 2282857714 LUNRYGBDNYWKRG-CYBMUJFWSA-N 383.279 -0.271 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC([C@@H](F)CO)C1 2282865739 YCKSSMUKQPSAPB-LBPRGKRZSA-N 389.258 -0.330 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1snnc1C(=O)O 2284386055 ZNMJYIHNWLJUQD-UHFFFAOYSA-N 380.195 -0.084 30 10 GBEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 254990292 LJRTZKWKUOVXRZ-UHFFFAOYSA-N 398.492 -0.381 30 10 GBEE C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@](O)(CO)C[C@H]21 257394394 CFELOEAQUHFCCH-BTNFWCPHSA-N 394.420 -0.082 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 411024873 LUMTWYJBWATUOG-INIZCTEOSA-N 379.505 -0.626 30 10 GBEE CN(CC(=O)NC(C)(C)C)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 459915100 BASKITOFRNYEFO-UHFFFAOYSA-N 386.456 -0.025 30 10 GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCn3ccnn3)C2=O)cc1 500290248 NCRQGYGNBPIBGS-MRXNPFEDSA-N 395.423 -0.427 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCC[C@H]2CCCCO2)CC1 581569844 VQZULYQIBGUTFB-MRXNPFEDSA-N 380.489 -0.102 30 10 GBEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCC1 593425812 ROWKJDWCHHUBTE-UHFFFAOYSA-N 385.490 -0.025 30 10 GBEE N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 843459435 FBWKJNSMSJUZRS-RYPNDVFKSA-N 382.486 -0.676 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H](OCC)C2CC2)CC1 872515697 SOOFNRYTBPQDOK-CQSZACIVSA-N 379.504 -0.784 30 10 GBEE CC(C)OCCCN(C)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1118892532 OGLYLKGBDPEKGV-UHFFFAOYSA-N 377.401 -0.523 30 10 GBEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1298543404 RBDLRYGHYUSBOA-YUELXQCFSA-N 379.388 -0.174 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 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CS(=O)(=O)N1CCN(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)CC1 601677834 PDJCELDUSKYEGV-UHFFFAOYSA-N 377.470 -0.242 30 10 GBEE CN(CCCNC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)S(C)(=O)=O 780207810 ZDQRWQWPBFIDGK-HNNXBMFYSA-N 383.426 -0.467 30 10 GBEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 810647954 SBWVGQOCDKTRJC-CQSZACIVSA-N 395.462 -0.515 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN(c2nncn2C)CC1 848636458 PHCPUBHZDRKPAZ-MRXNPFEDSA-N 397.439 -0.473 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(OC)(OC)[C@H](O)C2)cc1 1162895350 KIOSNPIBINRKKQ-OAHLLOKOSA-N 382.438 -0.206 30 10 GBEE C[C@@H](CN(C)CCCN(C)C)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1230863195 KNDNBGGRUPXPRY-ZDUSSCGKSA-N 379.465 -0.608 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1289077288 VQJNYIFZDGOYCP-JLNYLFASSA-N 392.412 -0.409 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)N2Cc3ccc(C#N)cc3C2)CCN1S(C)(=O)=O 1328269002 RRYPZOHAQNAEMP-GFCCVEGCSA-N 376.438 -0.107 30 10 GBEE 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N#C[C@]12CN(C(=O)Cn3nc4n(c3=O)CCCCC4)C[C@H]1CS(=O)(=O)C2 1585660058 CKXRJHLSOMLBKS-BLLLJJGKSA-N 379.442 -0.832 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1 1623499152 RTHKCODCLJDSPF-UHFFFAOYSA-N 376.844 -0.037 30 10 GBEE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1624102558 QEVAAFDRKYXZPY-YPMHNXCESA-N 395.437 -0.360 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cnn(C)c3)o2)CC1 1636480721 WHODAXNJCRRJJJ-UHFFFAOYSA-N 377.426 -0.095 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)OC)cc1 1647891141 JGEOCDWUYPUZNZ-AWEZNQCLSA-N 391.409 -0.839 30 10 GBEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)CCO1 1698493047 MVEMKKGQXGVVBQ-LSDHHAIUSA-N 390.444 -0.065 30 10 GBEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 1705834321 IOGVQAZDSXTNAF-NWDGAFQWSA-N 391.519 -0.055 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1740637821 ILDZKDRMSSPHIN-YOEHRIQHSA-N 378.454 -0.596 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNS(C)(=O)=O)CC1 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1120333871 NINFWJPGDYHZSG-QMHWVQJVSA-N 391.501 -0.445 30 10 GBEE C#CCN1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1147291021 FDDAZLPPMLMGHX-QGZVFWFLSA-N 388.443 -0.104 30 10 GBEE CCN(C[C@H](C)C#N)S(=O)(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 1322640059 ONRWWIWVMRCXRO-GFCCVEGCSA-N 395.503 -0.187 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCC(CO[C@@H]3CCNC3)CC2)CCN1C1CC1 1332005622 DCAKIYHPXWIHSG-QZTJIDSGSA-N 389.500 -0.198 30 10 GBEE C#CCN(C(=O)C(=O)NCC1(C2(O)CCOCC2)CC1)C1CCN(C)CC1 1333724781 DJOFDXLXDZSFJH-UHFFFAOYSA-N 377.485 -0.020 30 10 GBEE C=C(C)Cn1c(CN2CCCC2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1342533491 SJHWLEWBAMBORW-CQSZACIVSA-N 381.506 -0.211 30 10 GBEE COC(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1342869623 WJEWEHHBUZHIID-JKSUJKDBSA-N 398.419 -0.203 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC2(CCN(C)CC2)CC1)[C@H]1CCS(=O)(=O)C1 1348584691 IYIFLVFTPAJPPO-INIZCTEOSA-N 395.525 -0.030 30 10 GBEE C#CCN(C(=O)NCC1(S(=O)(=O)N(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1479333310 VSPUUFUCVALDJW-LBPRGKRZSA-N 377.488 -0.758 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nc(C(C)C)nc2O)CC1 1558073045 JUVBVVRBWZDBEN-UHFFFAOYSA-N 381.458 -0.161 30 10 GBEE C=CCn1cc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)nn1 1585572330 NRIBHUPXDUBXBM-UHFFFAOYSA-N 378.414 -0.259 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)COCCN2)ccc1F 1632206575 VYLVEGQCLWKYFF-MRXNPFEDSA-N 387.433 -0.629 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC(=O)OC(C)(C)C)CC1 1683554037 KVHAVWJRPILBTK-UHFFFAOYSA-N 388.490 -0.097 30 10 GBEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C(=O)C2)C1 1853633392 YPHNPKQRHVXWEM-JKSUJKDBSA-N 388.472 -0.141 30 10 GBEE CN(C[C@@H]1CC(=O)N(C(=O)c2ncccn2)C1)C1CN(c2nccnc2C#N)C1 1856233322 TXKSTPCVVGDDGV-ZDUSSCGKSA-N 392.423 -0.052 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](O)C(=O)O)c2)OC1(C)C 2256910380 NUROYMCTEAGVFC-VIFPVBQESA-N 377.249 -0.229 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CCC(O)CC1 2282327072 CFTDDARORJPVBS-UHFFFAOYSA-N 386.283 -0.304 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CN 2282329141 IJJMNRNDYMRWTG-SRVKXCTJSA-N 382.295 -0.313 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2[C@H](CO)[C@@H]2C1 2282339172 WQRFKMXTEMSKPD-ZSBIGDGJSA-N 383.279 -0.422 30 10 GBEE CN(C)C[C@@H](CO)NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282351217 XXSVQELPXKGGPN-ZDUSSCGKSA-N 385.295 -0.418 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C(CO)[C@@H]2C1 2282856693 WQRFKMXTEMSKPD-GHMZBOCLSA-N 383.279 -0.422 30 10 GBEE CO[C@H]1[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2286705855 NAWMUTMOMLPBGU-TUAOUCFPSA-N 387.267 -0.854 30 10 GBEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)C1 2358144910 DAGWFZMHBKFUSG-LVQVYYBASA-N 381.473 -0.069 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2S(C)(=O)=O)n1 2368618979 OMIHMWANFSQWKC-VHSXEESVSA-N 384.267 -0.580 30 10 GBEE CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@@H]12)c1csc(N)n1 11592810 NNULBSISHYWZJU-ZNMOMWQKSA-N 383.411 -0.556 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC(=O)N1C 297802298 NLOZVHJDFVEBBD-RDJZCZTQSA-N 383.452 -0.088 30 10 GBEE CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1 349496542 PHTVCBWCDLBXIR-GFCCVEGCSA-N 379.504 -0.273 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c(C)noc2C)CC1 561586942 KTURLAOOJGELOM-UHFFFAOYSA-N 377.445 -0.603 30 10 GBEE CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 594636308 RGGSZXODUKWLDQ-UHFFFAOYSA-N 376.435 0.459 30 10 GBEE COC[C@@]1(C)CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCO1 599393399 HPMYVRXSCYGZBF-LJQANCHMSA-N 387.440 -0.134 30 10 GBEE CCC(=O)N[C@H](CCSC)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 600832577 ZNNQUAJWQXXDQR-GFCCVEGCSA-N 379.442 -0.148 30 10 GBEE COC(=O)CN(CC#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 609992073 INYIMQLOCWLJPK-QGZVFWFLSA-N 384.392 -0.013 30 10 GBEE COC(=O)C(C)(C)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 779571251 ZZBPSZRLCWMSPP-CCEZHUSRSA-N 393.444 -0.208 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](CC)O[C@@]3(CCOC3)C2)c1=O 794692464 GGECZRUBLMXFPQ-KXBFYZLASA-N 392.456 -0.229 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)n1 809441389 XCVRRGGNYDOXOG-NVXWUHKLSA-N 391.472 -0.673 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](CCCN(C)C)C2)c1=O 853623448 HPHVJTAELUHOFR-INIZCTEOSA-N 393.488 -0.456 30 10 GBEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 922024004 FMQSSBUUJQZETR-AWEZNQCLSA-N 377.532 -0.373 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCC(C(N)=O)CC3)CC2)nc1 1117270117 BHTVWBARSADXSS-UHFFFAOYSA-N 384.440 -0.238 30 10 GBEE C#CCN(C(=O)Nc1ccn(CCN2CCNC2=O)n1)[C@@H]1CCS(=O)(=O)C1 1209474797 JEVQREKINDQZSY-CYBMUJFWSA-N 394.457 -0.438 30 10 GBEE C=CCNC(=O)CNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1211290091 YKWMBMDXMIIKPM-LBPRGKRZSA-N 377.463 -0.156 30 10 GBEE C#CCN(C(=O)C(=O)NCCN1Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1257377705 LHJFGFFQYJUEQB-QGZVFWFLSA-N 389.477 -0.233 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1258504305 RPEXSZIWSZFQHL-RYUDHWBXSA-N 376.525 -0.400 30 10 GBEE CO[C@@]1(CO)CCCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1327631508 SCCXIKVHQDFPDK-IBGZPJMESA-N 387.440 -0.398 30 10 GBEE C#C[C@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CCOCC1 1328280362 FFMIZEASHVSGDD-KRWDZBQOSA-N 389.456 -0.302 30 10 GBEE C=CCOCCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1346947883 KDIJCKPRVWSKIW-UHFFFAOYSA-N 379.417 -0.611 30 10 GBEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC 1359022827 NYDXEQPNTSSPKH-UHFFFAOYSA-N 381.462 -0.686 30 10 GBEE CCn1[nH]nnc1=NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1476594006 AYEQIIMYCWPMKD-UHFFFAOYSA-N 390.429 -0.475 30 10 GBEE CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CNCC(=O)NCC#N 1479542683 PTSIXJCOYXDDRE-KCYZZUKISA-N 388.472 -0.384 30 10 GBEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)CCOC1 1502727642 BQTRWBAIWYUYNY-BBRMVZONSA-N 399.473 -0.296 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1508093137 UFSWXIFGJCZIRH-OLZOCXBDSA-N 383.474 -0.293 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1562682672 MVYOZYFSUNSPFC-NSHDSACASA-N 376.460 -0.035 30 10 GBEE N#Cc1cn(CCNC(=O)N[C@H]2CCOC3(CCOCC3)C2)c(=O)nc1O 1636319501 FYJFLQSBPDGQLP-ZDUSSCGKSA-N 377.401 -0.152 30 10 GBEE C#C[C@@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1664138586 YLGFOSPQFVXRSD-ZDUSSCGKSA-N 388.467 -0.712 30 10 GBEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690677048 LLEJFQVXMLHFOT-CYBMUJFWSA-N 377.449 -0.327 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705908458 BWEXVMFQYILXLE-LSDHHAIUSA-N 392.460 -0.227 30 10 GBEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)Cn2cnnc2O)CC1 1722166924 IGKNTTGAJCGNIZ-OCABDXPQSA-N 399.451 -0.140 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)NC 1736548840 MNZNFHHMXMGPPQ-TUVASFSCSA-N 379.461 -0.366 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1740369373 OOIUJHXETYMDGS-ZIVKBKJYSA-N 376.413 -0.476 30 10 GBEE 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CC1(C)OB(c2ncc(CNC(=O)CN3C(=O)CNC3=O)s2)OC1(C)C 2284017173 DNBRLDQAUYEXMV-UHFFFAOYSA-N 380.235 -0.390 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@@]2(CN)C1 2288266145 AAILCAJZZYZEBR-ZUZCIYMTSA-N 383.283 -0.916 30 10 GBEE COCCOCCN1C(=O)C[C@H](N2CCN(c3ccc(C#N)cn3)CC2)C1=O 489067996 NOIJNUWHLMDXRF-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE C=CCCOCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 565114916 MUVFESNCBIARGL-CQSZACIVSA-N 377.445 -0.264 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H](O)C2)cc1 569018992 GQNYZGXGIMNHOF-NWDGAFQWSA-N 389.455 -0.741 30 10 GBEE CC[C@@H](CO)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 571011097 UQDXKWLXCNYJTO-HNNXBMFYSA-N 380.470 -0.248 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c1 576359025 CLIJFOHOIFDZJO-ZDUSSCGKSA-N 386.455 -0.660 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 730077215 OHTDMOMFLDUEMB-INIZCTEOSA-N 392.525 -0.028 30 10 GBEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 810647085 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375.491 -0.130 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@@](C)(C(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1333694044 XUTBNOLXGNLFAL-IAQYHMDHSA-N 378.397 -0.482 30 10 GBEE C#CCCCc1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1C[C@@H]1CCOC1 1336274676 OYQIPXMBDRGUOA-LSDHHAIUSA-N 394.501 -0.391 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1345012702 LBVWGCRGSMHWDY-IAGOWNOFSA-N 384.436 -0.782 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1CCOC 1345674544 IIBFBHSQRQETOX-OAHLLOKOSA-N 394.476 -0.875 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2nccn2c1 1347170200 UXOWVTXCCMLCST-ILXRZTDVSA-N 380.408 -0.270 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1Cc2ccccc2N(C)C1=O 1347604035 GQCAYMHQBNIHMO-ZDUSSCGKSA-N 379.438 -0.593 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C1CCN(C)CC1 1353084873 FSDNEZPHNYRDLB-CQSZACIVSA-N 384.502 -0.965 30 10 GBEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1588263612 YFWRMFFSRLHINF-UHFFFAOYSA-N 397.501 -0.185 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1596831239 KQPJGNPYZFQUAK-QWHCGFSZSA-N 398.489 -0.268 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H]2CCOc3ccccc32)c(=O)n1CCO 1614869343 OMXCEGFBDNYEIU-HNNXBMFYSA-N 384.392 -0.178 30 10 GBEE Cc1c([C@@H]2[C@H](CNc3c(C#N)c(=O)n(C)c(=O)n3C)CC(=O)N2C)cnn1C 1615286157 BIPKPDASTUTQLN-NHYWBVRUSA-N 385.428 -0.371 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)OC)c1 1660494723 DUDBQEVVPPVWBZ-AWEZNQCLSA-N 393.421 -0.412 30 10 GBEE Cn1cc(I)c(CNC(=O)NCC(=O)NCC#N)n1 1682373205 FIBSWAKWXDBTKW-UHFFFAOYSA-N 376.158 -0.536 30 10 GBEE N#C[C@]12CN(C(=O)NCc3cc(=O)n4ccccc4n3)C[C@H]1CS(=O)(=O)C2 1683548540 UMWZNDBLWWQWRZ-YVEFUNNKSA-N 387.421 -0.226 30 10 GBEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)NC)CC1 1690113816 VSUPCEZZYJYCGU-IBGZPJMESA-N 390.488 -0.179 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1718221121 YGPSKZPJXYUNPO-KJGCVMFHSA-N 382.457 -0.555 30 10 GBEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741798382 BARVFEAUDWCSSH-WBMJQRKESA-N 393.473 -0.033 30 10 GBEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C1=O 1855227404 ZFRARKJFJYJWHE-CABCVRRESA-N 383.470 -0.219 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN([C@H]3CCN(C)C3=O)C(C)(C)C2=O)CC1=O 1856069313 ODRUNKOLKHQDQX-KGLIPLIRSA-N 376.457 -0.299 30 10 GBEE Cn1nncc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856388161 AYWXSGQAENYWKC-LBPRGKRZSA-N 381.396 -0.166 30 10 GBEE C=CCOc1ccccc1OCC(=O)N(CC(=O)O)[C@@H]1CS(=O)(=O)C[C@H]1O 1866317028 XNTQMLRQGKGBOD-CHWSQXEVSA-N 399.421 -0.299 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N[C@H](CS)C(=O)O 2059668579 WKJSSHJBXSMZRS-VHSXEESVSA-N 396.487 -0.090 30 10 GBEE C#CCN1CCN(c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2086865172 SGTNOYYQTZWDCM-MRXNPFEDSA-N 380.404 -0.157 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCOC(F)F 2267354278 UNQNBNMTRLZOMQ-UHFFFAOYSA-N 382.198 -0.368 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(C[S@](C)=O)C2)n1 2281948994 DHXTVGKHAZREJI-SANMLTNESA-N 382.295 -0.045 30 10 GBEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CS(=O)(=O)C1 2282021969 QJMOBMGXACIZAP-UHFFFAOYSA-N 383.279 -0.023 30 10 GBEE COC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(N)=O 2282340176 CEGBSWQQZOULLV-ZDUSSCGKSA-N 384.263 -0.236 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN[C@@H]2C[C@H]21 2282340621 IEHKUJLBWNRGSP-CYZMBNFOSA-N 382.295 -0.252 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2[C@H](O)C[C@H]2C1 2282344335 VRIMBMCEKGHNDS-QJPTWQEYSA-N 383.279 -0.279 30 10 GBEE COC[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2282349503 ZNUWOEPSUJWIMB-ZDUSSCGKSA-N 384.263 -0.236 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCO[C@H](CO)C3)c2)OC1(C)C 2282351650 DJNJRRLDZJXTAD-ZDUSSCGKSA-N 384.263 -0.237 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCN[C@@H]3C[C@H]32)n1 2282506887 YZHBDUMJISFNBW-CYZMBNFOSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2cnc(CNC(=O)CN3C(=O)CNC3=O)s2)OC1(C)C 2283930729 AJMOADCANIZTMH-UHFFFAOYSA-N 380.235 -0.390 30 10 GBEE Cn1nc(C(=O)N2CC[C@H]2[C@@H](O)CO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2286228622 RCDOVSTYXXEJOS-UWVGGRQHSA-N 385.657 -0.060 30 10 GBEE Cn1ncc(C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c1B1OC(C)(C)C(C)(C)O1 2361655738 YBFTUGXEBDZBAN-PWSUYJOCSA-N 381.263 -0.412 30 10 GBEE C/N=C(/NCCNS(=O)(=O)c1ccccc1)N1CC[C@H](N2CCOCC2)C1 262502795 YZKAWVLVEZYAHX-INIZCTEOSA-N 395.529 -0.053 30 10 GBEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CO)CN1CCOCC1 576328965 OKZFFMUMUGVJAU-MRXNPFEDSA-N 386.456 -0.040 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCc3ccc(O)cc32)CC1 612474490 JVQDHIPJIFDQMP-QGZVFWFLSA-N 386.452 -0.058 30 10 GBEE N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)ccc1F 728589137 BPZHRWLDUQUKDY-UHFFFAOYSA-N 377.419 -0.362 30 10 GBEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cn1 735068491 IXWAJGOWWFOBBD-UHFFFAOYSA-N 399.476 -0.126 30 10 GBEE C#CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 848955654 GTCDRIVFAGGGAZ-OAHLLOKOSA-N 383.451 -0.099 30 10 GBEE C#CCNC(=O)CN1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 851751617 VDDXOGPICLMXKD-MRXNPFEDSA-N 380.489 -0.011 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@@H]2C[C@H]2CCOC2)c1=O 902610532 UNLSCFDNOAWESH-CVEARBPZSA-N 392.456 -0.371 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 932374556 JWUHCHKRRXXJJJ-XHSDSOJGSA-N 376.457 -0.860 30 10 GBEE C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)c2ncnn21 1261643710 CFLUCZXPOXJPER-WDEREUQCSA-N 376.464 -0.621 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1345014572 VAONVJZZLSUJCT-GOSISDBHSA-N 398.463 -0.692 30 10 GBEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@]2(OCCO)CCOC2)n1 1350166731 KLAMDUHMCKBKDQ-QGZVFWFLSA-N 379.417 -0.268 30 10 GBEE C#CCN1CCCC[C@H]1c1nnc(N2CCN3[C@@H](CNS3(=O)=O)C2)n1C 1351051915 XGYMPOSKIKVURL-KBPBESRZSA-N 379.490 -0.686 30 10 GBEE C#CCN(CC(=O)N[C@@H]1CN2CCC1CC2)CC(=O)N[C@H]1CN2CCC1CC2 1353790960 VZYOLZVTAXJQPI-KDURUIRLSA-N 387.528 -0.658 30 10 GBEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCN(O)C1=O 1450154747 GXWIVAMRNHQWQJ-NWDGAFQWSA-N 384.433 -0.002 30 10 GBEE CCOC(=O)CON=C(C(=O)N(CCO)C1CCN(C)CC1)c1cc[nH]n1 1452532171 KWPKUZBQJKDEIK-UHFFFAOYSA-N 381.433 -0.391 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1 1508093363 UWKFUTSIICKOMC-HUUCEWRRSA-N 376.461 -0.395 30 10 GBEE C=C[C@H](O)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCOC 1523599933 VGONLPBMOCVKEV-ZFWWWQNUSA-N 378.477 -0.067 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540868815 SSPQOPJQZVPDMU-GXTWGEPZSA-N 384.444 -0.304 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cn3cccn3)on2)CC1 1588199761 YTLDBEYNKXJDNQ-UHFFFAOYSA-N 378.414 -0.855 30 10 GBEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC3(C[C@H](O)CNC3=O)C2)cc1 1638018536 BXLDLMSESHRPPF-AWEZNQCLSA-N 377.422 -0.818 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 1702409756 ZWSFWCXZFPDHST-CTASWTNQSA-N 385.486 -0.424 30 10 GBEE CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1O 1719269200 BDPQTXPXNVBBES-WVWOOGAGSA-N 378.347 -0.320 30 10 GBEE C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 1740270646 UPLJCVJPBCAVSJ-WCVJEAGWSA-N 378.473 -0.353 30 10 GBEE COc1ccc(S(=O)(=O)NCC(=O)NCC#CCN2CCOCC2)cc1 1850334958 QQOPBPBAXPHNNY-UHFFFAOYSA-N 381.454 -0.575 30 10 GBEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 2124701381 KONLTYNAEXQWIC-CHWSQXEVSA-N 386.474 -0.346 30 10 GBEE C=C(CS(=O)(=O)N[C@H]1CNC[C@@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2267470835 BNALEDWUISPXKT-RYUDHWBXSA-N 394.324 -0.522 30 10 GBEE CC1(C)OB(c2csc(C(=O)N3CC4(C3)OC[C@H](O)[C@H]4O)c2)OC1(C)C 2281971678 XIGGZZBGBKZFIN-WCQYABFASA-N 381.259 -0.006 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCC[C@@H]2CS(N)(=O)=O)OC1(C)C 2282066264 HMVUBWPJVBMLAN-SNVBAGLBSA-N 384.267 -0.398 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2CNC[C@H]2C1 2282339496 VGAINDSZFWIGTN-RYUDHWBXSA-N 382.295 -0.441 30 10 GBEE CN(Cc1ncno1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282350085 IHYRROJYVJIPFP-UHFFFAOYSA-N 383.239 -0.077 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCNC[C@H]2C#N)n1 2282504335 NJOGYJCDFZJTBA-LLVKDONJSA-N 381.267 -0.795 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(O)CNC3)ccc2F)OC1(C)C 2282509513 LLCFWQFJDZCWDB-UHFFFAOYSA-N 386.254 -0.263 30 10 GBEE CC[C@@H]1COCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282834310 SBGROTWJUNXUDS-LLVKDONJSA-N 386.283 -0.086 30 10 GBEE Cc1nc(S(=O)(=O)N[C@H](C)CC(N)=O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282874248 XVNYZIFXFFXXIU-SECBINFHSA-N 386.283 -0.430 30 10 GBEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H](C#N)N3CC[C@H]2C3)C(=O)C1 2368805631 KJQNMUTZIKVZLX-KBPBESRZSA-N 377.445 -0.126 30 10 GBEE C[C@@H](CO)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 282669724 CFCAWKURDSNVGN-AWEZNQCLSA-N 380.470 -0.296 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCO)C[C@@H]1C 457104191 SPSCHARYXBKDIL-KBPBESRZSA-N 380.470 -0.250 30 10 GBEE CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 563950382 DLDWGODDBMUSCY-UHFFFAOYSA-N 396.411 -0.097 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)c1 566489036 SMPFRCBEPMTMBN-LBPRGKRZSA-N 398.466 -0.516 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(CC#N)c3)C[C@@H]12 595184371 CWDTYDIJWCHIOK-ZNMIVQPWSA-N 377.422 -0.038 30 10 GBEE COC(=O)CCNC(=O)CCNC(=O)N1CCN(c2cccc(C#N)n2)CC1 599213544 OEGQWPBJIQLXHQ-UHFFFAOYSA-N 388.428 -0.146 30 10 GBEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 810647949 SBWVGQOCDKTRJC-AWEZNQCLSA-N 395.462 -0.515 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)CC1 929568068 RAIZAQJBWNXHSN-OAHLLOKOSA-N 388.472 -0.391 30 10 GBEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116110522 GFEHUHMAPDXDSQ-DNZUHHBVSA-N 391.472 -0.038 30 10 GBEE C=C[C@H](O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCOC 1122336440 DYRGHYGFUJVXJV-HNNXBMFYSA-N 378.477 -0.112 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)C1=O 1143355713 UKEKPRKYBNLSRV-OAHLLOKOSA-N 397.395 -0.406 30 10 GBEE N#C[C@]12CN(C(=O)c3ccc(S(N)(=O)=O)s3)C[C@H]1CS(=O)(=O)C2 1157885864 VYNGIVYRTUBTEC-QPUJVOFHSA-N 375.453 -0.594 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccn2)CC1 1203285430 OIJZJSVICQHCOR-UHFFFAOYSA-N 394.457 -0.600 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1286466791 KDRAAOOKBJXGQR-HNNXBMFYSA-N 397.501 -0.208 30 10 GBEE CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 1328771607 VLBVLOKKNOVFSJ-CABCVRRESA-N 394.453 -0.800 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1328854689 CRVONYQAFUBMIR-IAGOWNOFSA-N 385.468 -0.431 30 10 GBEE C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)O1 1329306750 RUQNJZOXVUNUBY-MFKMUULPSA-N 375.385 -0.722 30 10 GBEE C=CCCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1347850214 QHTAGMYYCTUKOZ-SYQHCUMBSA-N 378.429 -0.233 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 1350833364 IUYKVWMVVHKOCC-GJZGRUSLSA-N 382.486 -0.036 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCN(C)C 1358978815 VNABBEMNQMZIHD-MRXNPFEDSA-N 393.513 -0.169 30 10 GBEE C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N(C)CCNS(C)(=O)=O 1520309574 AKZCNNDMXKXOML-KGLIPLIRSA-N 384.506 -0.015 30 10 GBEE Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543138708 XLHSMBHFYNGLOG-TZFAWSOVSA-N 394.457 -0.264 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC(N)=O)CC1 1595319269 JPJXECDCCMVJIO-LLVKDONJSA-N 386.478 -0.455 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595467155 QRPLLJHYRZERCM-UONOGXRCSA-N 394.476 -0.041 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1690001496 KWYICLVQLWXBEI-KBPBESRZSA-N 381.458 -0.624 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCNC(=O)C(C)(C)C)C1 1719297107 NIDGRYVMAWOBEZ-KBXIAJHMSA-N 381.473 -0.182 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722699226 SIRKFFLYMBYNPD-ZIAGYGMSSA-N 389.460 -0.312 30 10 GBEE C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1757709586 KWDHTKLHBUOJRU-KBXIAJHMSA-N 377.445 -0.189 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nncn1C 1757826551 JOXNEMRLOWTUKB-KFWWJZLASA-N 375.429 -0.380 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(O)(CO)C3)s2)OC1(C)C 2255949191 VNPUFDMDIJMJAX-UHFFFAOYSA-N 375.277 -0.225 30 10 GBEE Cn1nc(C(=O)N[C@@H]2CNCC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282042667 IVYOWZCSGXEUSN-ZJUUUORDSA-N 384.673 -0.175 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CNC[C@H]3O)c2)OC1(C)C 2282354865 WTTBXGXZABXRQZ-BXUZGUMPSA-N 383.279 -0.761 30 10 GBEE Cc1nc(NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)nn1C 2282494183 XOLPBRZJJROAPQ-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE Cn1nc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 2282603346 FELFYLMGBZEYEU-SNVBAGLBSA-N 384.267 -0.778 30 10 GBEE COCCN(C1CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282846152 FNGFPULWJPQYBU-UHFFFAOYSA-N 386.283 -0.086 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CC1 288829628 KSEVCLFPLKCJDD-MRXNPFEDSA-N 387.440 -0.086 30 10 GBEE N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC2(C1)CC2(F)F 349453091 DTPUNWNGKSEDBI-UHFFFAOYSA-N 382.414 -0.274 30 10 GBEE CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)[C@H](C)C1 349507505 YIIMRHMLIWWQGE-CHWSQXEVSA-N 394.519 -0.567 30 10 GBEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409655217 ZAHHPIXBDODUBR-UONOGXRCSA-N 377.449 -0.604 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCCN3C)C2)CC1 459882632 GOGQZYWDWCNEGL-SJORKVTESA-N 391.516 -0.625 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1 546169114 BWJSLDJJJDMXKM-UHFFFAOYSA-N 384.440 -0.369 30 10 GBEE N#CC1(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCCC1 593671040 BPAFSJPOJABEAR-UHFFFAOYSA-N 388.428 -0.119 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC[C@@]2(O)CCOC2)n1 593688111 WHMHRWLBSNZWAF-GOSISDBHSA-N 387.371 0.479 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)C1=O 600436728 PKSIYZBPGITAKL-NEPJUHHUSA-N 381.385 -0.562 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCN(C3CC3)C(=O)C2)n1 839368695 DUBXXKHYDDQJFS-UHFFFAOYSA-N 387.440 -0.676 30 10 GBEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 849376281 AKAOFSSURIDLKY-HOTGVXAUSA-N 387.502 -0.875 30 10 GBEE CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1117586117 ANDUMUYHZMXAKD-CJIJNDEGSA-N 378.429 -0.195 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1178280947 AKNHJTWUFLGTFP-UBSAEIQESA-N 381.454 -0.104 30 10 GBEE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCN(O)C1=O 1298425205 IIZRGCWSDUUNSD-FDYHWXHSSA-N 387.458 -0.798 30 10 GBEE CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 1321927554 LCZTUPJDSSKCLN-ZDUSSCGKSA-N 382.417 -0.146 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCc1ncn(C)n1 1326236928 SKIKLCZEILRGTQ-ZDUSSCGKSA-N 397.443 -0.737 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 1330979907 WMFGSSCWSSBGQW-HNNXBMFYSA-N 387.440 -0.367 30 10 GBEE C#CCN1CCCC[C@H]1c1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1C 1351051916 XGYMPOSKIKVURL-KGLIPLIRSA-N 379.490 -0.686 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)NC)CC1 1359035109 LDCBPMXFUGMNAD-OAHLLOKOSA-N 396.517 -0.176 30 10 GBEE CN(C)CC#CCNC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1471628735 CPVUZSIZEWFMRG-UHFFFAOYSA-N 377.489 -0.303 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2nnn(Cc3cc(C)on3)c2C)CC1 1556503986 GIKVXTYQMVRVIL-UHFFFAOYSA-N 385.428 -0.562 30 10 GBEE CO[C@]1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCS(=O)(=O)C1 1638558698 FZPMREVHTWLVQW-KRWDZBQOSA-N 393.469 -0.011 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c(=O)n1C 1656779406 YVQFIMPXPGEABD-UHFFFAOYSA-N 389.334 -0.794 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2c(O)nnc2O)C1 1685874789 OJXMLERWSFVCRC-SYQHCUMBSA-N 393.444 -0.119 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1740609585 LKJKBMUHDXGRNZ-SNVBAGLBSA-N 393.391 -0.072 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(CCN3CCOCC3)C(C)(C)C2=O)CC1=O 1856057471 CNYGBVCAFJJBHF-INIZCTEOSA-N 392.500 -0.198 30 10 GBEE NCC#Cc1nc(=NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s[nH]1 1979345511 LUYQUBOJOLCXNN-UHFFFAOYSA-N 391.434 -0.692 30 10 GBEE C#CCOCCN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282292655 YKGSMIXRDBPYTI-UHFFFAOYSA-N 384.267 -0.615 30 10 GBEE COC1(OC)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282304358 JSOMAJIWBBICJU-UHFFFAOYSA-N 388.255 -0.892 30 10 GBEE Cc1ncc[nH]c1=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282322578 OAWMHLZDRPEXMO-UHFFFAOYSA-N 380.239 -0.565 30 10 GBEE CN(CCC1CNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282851827 HOMZZPZTTPSCGH-UHFFFAOYSA-N 384.311 -0.051 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](F)C1CNC1 2282859274 KEKSVKRHVVVAAH-NSHDSACASA-N 388.274 -0.445 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)C(=O)O)c(F)c2)OC1(C)C 2284395519 MDVBOBFOWMEWQJ-NSHDSACASA-N 389.210 -0.151 30 10 GBEE C#CC[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284405052 FVAILQNNWCQZQP-LLVKDONJSA-N 383.235 -0.526 30 10 GBEE O=C(O)C=CC(=O)[C@@H]1C[C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)CCN1 2328074099 PEHRIYIOOOJTEC-FZMZJTMJSA-N 385.376 -0.271 30 10 GBEE C#CCCN(CC(=O)O)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336512188 DJXCOUQHPJUXAJ-ZDUSSCGKSA-N 388.442 -0.139 30 10 GBEE O=S1(=O)CCCN1[C@H]1CCCN(/C(O)=N/[C@H]2COC[C@H]2n2ccnn2)C1 329441907 KFPYFZNQWNQNTK-MELADBBJSA-N 384.462 -0.368 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 450131441 YBLYQHVFRSZBCG-CYBMUJFWSA-N 389.437 -0.190 30 10 GBEE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 598012489 RQINIZINVQSNEV-LEWSCRJBSA-N 381.410 -0.328 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 641913801 GOCCVRVLQCLKAL-UHFFFAOYSA-N 394.453 -0.260 30 10 GBEE Cn1cnc(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 843975132 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375.372 -0.963 30 10 GBEE C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1735758284 LVMPQBJDHIPHHB-OXHZDVMGSA-N 378.347 -0.176 30 10 GBEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1749022179 GOIKBIYAKQHTRW-QWHCGFSZSA-N 398.514 -0.017 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760524579 CAIXUGBAXWUDCN-OAHLLOKOSA-N 389.504 -0.115 30 10 GBEE C#CCN1CCC(NC(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 2204063068 DAMCHYKYYVLRIS-DNVCBOLYSA-N 381.473 -0.067 30 10 GBEE Cn1nc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041441 WWIYHAISJWAPAL-VHSXEESVSA-N 385.657 -0.202 30 10 GBEE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282048941 RVYYZJFKENJQEF-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@@H]1O 2282303797 AXTFCMOYNNNMCI-MNOVXSKESA-N 386.283 -0.494 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCNC[C@@H]1F 2282841387 UPEUIORYOCIMIN-UWVGGRQHSA-N 389.262 -0.907 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCNC1 2282848113 JGOPBBQZDVRGAY-LBPRGKRZSA-N 384.311 -0.003 30 10 GBEE CC(=O)NC1CN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282861716 RUVRSQONJWTDEC-UHFFFAOYSA-N 381.263 -0.110 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)n1 2284393966 RRIKHSUBBOGCKL-SNVBAGLBSA-N 385.251 -0.186 30 10 GBEE C#CCN(CC(=O)O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2284395604 NIZHYXKHNHCOPZ-UHFFFAOYSA-N 383.235 -0.572 30 10 GBEE CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)[C@H](C)C1 349499248 RSHMRTONDCAWSD-OLZOCXBDSA-N 394.519 -0.664 30 10 GBEE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)Cc1cc(C#N)ccc1F 500936825 CAHSMWWMMKEZMP-AWEZNQCLSA-N 382.417 -0.146 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCn2cnc3ccccc32)CC1 555947196 IWKAAZWECBGQCM-UHFFFAOYSA-N 398.467 -0.401 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CN(C)C(=O)[C@H]2C)cc1 594485699 SKQVSAFIHXQSKS-WDEREUQCSA-N 386.455 -0.314 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCC2(COC2)C1 595965284 BGVYACQYAHMZIP-CYBMUJFWSA-N 379.504 -0.008 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1 761033525 YHZIAJNDKVCDQQ-CQSZACIVSA-N 394.501 -0.700 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)CC1 896203158 KQDRRRIVNRFKBT-HZPDHXFCSA-N 384.502 -0.014 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnc2[nH]cnc12 1282742114 MMMJGNHQNFCFKE-BNOWGMLFSA-N 380.408 -0.041 30 10 GBEE N#Cc1cn(CCNC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)c(=O)nc1O 1301213291 MXLCEUPJDINEKT-GHMZBOCLSA-N 390.318 -0.079 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n1 1330146573 COYQRXGRMZRDHC-GJZGRUSLSA-N 392.481 -0.242 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@](C)(C(F)F)C1)[C@H]1CCS(=O)(=O)C1 1333694045 XUTBNOLXGNLFAL-NHYWBVRUSA-N 378.397 -0.482 30 10 GBEE C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCC(NC(=O)COC)CC1 1338773423 PCEOPEHPCZIKGB-GJZGRUSLSA-N 378.477 -0.067 30 10 GBEE C#CCN(c1nnc([C@]2(C)CNC(=O)C2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1340332627 ZBCZBORCZUUORF-GUYCJALGSA-N 377.470 -0.132 30 10 GBEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 1346519021 XYAQDRILFLXVBC-ZWKOTPCHSA-N 386.452 -0.189 30 10 GBEE C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 1347507775 UEMNMOWNPRGKGY-BKEDOTJMSA-N 378.473 -0.664 30 10 GBEE C[C@@]1([C@H]2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)COC(=O)N1 1455899856 FGIBJDFCFFOFRW-SJCJKPOMSA-N 375.385 -0.052 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)NCCC 1490838656 MNSKWIRZSYWBJY-KFWWJZLASA-N 376.457 -0.320 30 10 GBEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1539094012 IZYWHDFRRAYOSL-CABCVRRESA-N 396.517 -0.178 30 10 GBEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)co1 1542125387 STDJFXNAMRQMKS-ZDUSSCGKSA-N 387.439 -0.574 30 10 GBEE CS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1555818192 RLZHTGSNKXCMFV-QWHCGFSZSA-N 384.462 -0.202 30 10 GBEE CCOC(=O)CON=C(C(=O)NCCN1CCC(OC)CC1)c1cc[nH]n1 1566176373 SXQJSWGSATUYNK-UHFFFAOYSA-N 381.433 -0.080 30 10 GBEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(=O)NCC)CC1 1690725607 WFNHEKOQYMKHPL-UHFFFAOYSA-N 398.533 -0.301 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1722353565 XHXKITGPVUNGEC-SNVBAGLBSA-N 375.401 -0.369 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1736496828 QBTGELCFUWVADE-RDBSUJKOSA-N 376.413 -0.623 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnn1 1740354601 REQFPTCRXAOQFS-TUVASFSCSA-N 375.433 -0.608 30 10 GBEE Cn1c(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)cc(=O)n(C)c1=O 1857198734 OOBLXHOLOARPNB-KGLIPLIRSA-N 399.451 -0.302 30 10 GBEE C#CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2123549416 CRJXSSAGMDIIOC-RYUDHWBXSA-N 387.458 -0.596 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC(CO)(CO)C3)c2)OC1(C)C 2282292869 BINSKKDDZVJCPB-UHFFFAOYSA-N 384.263 -0.644 30 10 GBEE 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C#Cc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 841280868 GZQIEEJHWLUNPV-UHFFFAOYSA-N 376.438 -0.948 30 10 GBEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C#CC2CCNCC2)c1 852833096 USCCSQHIHKAJES-UHFFFAOYSA-N 378.454 -0.348 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@@H]1CCCO1 1122924742 UQUDSDFHDADAIR-AWEZNQCLSA-N 382.424 -0.406 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccc(O)cc3O2)CC1 1152967754 OJIDQKXSHOHAHL-HNNXBMFYSA-N 381.410 -0.856 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286779828 KVLHIIOIRSIHKT-UHFFFAOYSA-N 384.444 -0.291 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@H](C1CCOCC1)C1CC1 1328929895 HNSADQHULGJVOY-MWWIPNPYSA-N 390.440 -0.050 30 10 GBEE C=C(C)Cn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CCN([C@@H]2CCOC2)CC1 1342511347 PWVPOTDFXFRBEU-KGLIPLIRSA-N 389.460 -0.012 30 10 GBEE CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSCC#N)C1=O 1347192653 PIYRSNREPVTBHE-WOPDTQHZSA-N 379.442 -0.615 30 10 GBEE COC1(OC)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@H]1O 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30 10 GBEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 273285062 AEDSDFUJHYMBMB-INIZCTEOSA-N 390.440 -0.051 30 10 GBEE CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410800655 IRALYBFKKHQONT-LBPRGKRZSA-N 385.346 -0.017 30 10 GBEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC#CCO 412325391 VUGMWJQBQVQFBJ-UHFFFAOYSA-N 395.481 -0.253 30 10 GBEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cn1 460730998 WTIXNZIOHQYVID-AWEZNQCLSA-N 379.380 -0.089 30 10 GBEE CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)[C@H]2C1 590280373 GZVVAKCUKZJTQD-HOTGVXAUSA-N 379.424 0.299 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 593546159 CXPITKBZCGLOCB-LLVKDONJSA-N 387.439 -0.343 30 10 GBEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cc(C)nc2C1 848958219 KMTWCJRCCNNLES-UHFFFAOYSA-N 399.498 -0.484 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 862198328 YBELELYVKGGSFQ-ZDUSSCGKSA-N 383.426 -0.039 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 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375.472 -0.467 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690672568 WJYUWZVOJSASSR-UHFFFAOYSA-N 391.476 -0.283 30 10 GBEE CS(=O)(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1736471130 VXKOWWSNAQDMBZ-RDBSUJKOSA-N 379.442 -0.313 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CC1 1740696461 VBTYTTSHTJKUSB-HNNXBMFYSA-N 393.513 -0.150 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)NCC2[C@@H]3CS(=O)(=O)C[C@@H]23)OC1(C)C 2281991261 XTCOGPDGXKYKLN-QWRGUYRKSA-N 381.263 -0.271 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCS(=O)(=O)C1 2282694187 RDJMRYDRZXXZFE-OAHLLOKOSA-N 384.267 -0.579 30 10 GBEE CO[C@@](C)(CO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854122 NNAOGBCDJQAQSM-OAHLLOKOSA-N 389.283 -0.605 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283055203 FDYYNUGTJZWGFM-MNOVXSKESA-N 381.263 -0.061 30 10 GBEE C[C@@H](CCC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284395383 KQOHTIUKHBYERX-VIFPVBQESA-N 388.255 -0.354 30 10 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COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1C#N 857089876 FYBQUCNDPKBBPU-LSDHHAIUSA-N 379.438 -0.517 30 10 GBEE C#CCN(CC(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1)CC(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1 924024590 NLPBFKGUNDPICS-KFIFHZAASA-N 389.496 -0.620 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccnc3)nn2C)CC1 1152972184 BDQJQHBLKZBEKC-UHFFFAOYSA-N 388.453 -0.293 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1261394887 NRSVBSNAEOOBDR-MRXNPFEDSA-N 399.451 -0.903 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)n2)cc1 1261828127 ZTSPCGDOKRHGPN-ZIAGYGMSSA-N 380.364 -0.232 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1286397517 AMXCGHQKVDNHHJ-UHFFFAOYSA-N 394.439 -0.260 30 10 GBEE C#CCN(C(=O)C(=O)NC1CCC(C(=O)OC)CC1)[C@@H]1CCS(=O)(=O)C1 1322623216 SAEQRTACRRHBEV-JXQTWKCFSA-N 384.454 -0.517 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1333220849 NJPHVICJALPYHK-MSOLQXFVSA-N 376.501 -0.087 30 10 GBEE C#CCN1CCC[C@H]1c1nnc(N2CCO[C@H](C(N)=O)C2)n1C[C@@H]1CCCO1 1343085499 BOCKAOLASJRABL-JYJNAYRXSA-N 388.472 -0.082 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]1CC 1344844269 LDKIPKCANSTRBA-ZOBORPQBSA-N 393.488 -0.133 30 10 GBEE CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1352318994 OHESWUPQNYVTAW-KRWDZBQOSA-N 398.467 -0.603 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1358939231 SLJMZOBLEZCNMD-VXGBXAGGSA-N 382.490 -0.128 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)C1 1359292079 HQOALNHIPPFDRR-UHFFFAOYSA-N 384.400 -0.836 30 10 GBEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)N(C)C 1556517884 VDSWHWSQPXOWBA-LBPRGKRZSA-N 376.479 -0.195 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)(c2ccnn2C)C1 1558083191 ZECLZRLUWXCPQB-GFCCVEGCSA-N 389.437 -0.311 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1564416829 FSGQCLLSMPVJLF-MRXNPFEDSA-N 389.474 -0.754 30 10 GBEE 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C#CC[C@@H](O)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249440414 VEPUHFKTPAFMPG-HUUCEWRRSA-N 398.437 -0.242 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NC[C@H](O)CO)OC1(C)C 2267364826 FWEDKOLEPYMTEV-NSHDSACASA-N 375.227 -0.244 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CNC[C@@H]2O)OC1(C)C 2267722747 YKBBVZBGWIIEJF-PWSUYJOCSA-N 388.320 -0.094 30 10 GBEE COC(=O)C1(NC(=O)c2c(C)nsc2B2OC(C)(C)C(C)(C)O2)CNC1 2281971637 WSYKXJGLFIJGGI-UHFFFAOYSA-N 381.263 -0.004 30 10 GBEE CC1(C)OB(c2c[nH]c(C(=O)N=c3[nH]nc(S(N)(=O)=O)s3)c2)OC1(C)C 2282201678 XYWZCSYBSFEBLO-UHFFFAOYSA-N 399.263 -0.513 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC[C@H]1N 2282310410 SWQJGLZEKRRUKT-WDEREUQCSA-N 385.299 -0.528 30 10 GBEE CCNC(=O)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282505434 DFSJAEOYNBBMKB-UHFFFAOYSA-N 386.283 -0.558 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2O)n1 2282619063 QCZAFEXDHFCQNW-NFWWYOGNSA-N 384.182 -0.420 30 10 GBEE 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CC[C@H](CN(C)C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282305016 SEPPXOFIVAOVBV-LLVKDONJSA-N 387.315 -0.267 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(C)CCNCC1 2282308899 XSKKKLVMEFDPCY-UHFFFAOYSA-N 385.299 -0.465 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1[C@H]2CN[C@H]1C2 2282314490 ALIWOEKFONVCNJ-VWYCJHECSA-N 383.283 -1.000 30 10 GBEE CN(Cc1nn[nH]n1)S(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282344859 DRWKHZFLUYHXTD-UHFFFAOYSA-N 380.239 -0.285 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC[C@@H](CN)C1 2282839945 KKZAEMPKVVEODQ-GHMZBOCLSA-N 385.299 -0.480 30 10 GBEE C[C@H]1OCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@@H]1C 2282840642 IHJSHBOKCDXVPS-GHMZBOCLSA-N 386.283 -0.088 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCN[C@@H]2C[C@@H]21 2282840943 QSNRQKQLTHTHGV-GMTAPVOTSA-N 383.283 -0.857 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 2284402664 KIVRSRQBBDNVAQ-JTQLQIEISA-N 385.251 -0.186 30 10 GBEE CC#CCN(CC(=O)N1CCCN(S(N)(=O)=O)CC1)C(=O)OC(C)(C)C 2337918371 KPHWUWVDCHZSNM-UHFFFAOYSA-N 388.490 -0.015 30 10 GBEE C#CCN(C(=O)N[C@H]1CCc2nc(COC)nn2C1)[C@H]1CCS(=O)(=O)C1 1116464542 HGDIRSTXAFDSLP-STQMWFEESA-N 381.458 -0.429 30 10 GBEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COCCN2C)cc1 1261827132 MXZKCCDGCXEJDE-OCCSQVGLSA-N 394.453 -0.242 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2n[nH]c(C)n2)CC1 1286478352 AMDDYAHDVKYSJP-CQSZACIVSA-N 383.460 -0.346 30 10 GBEE CCN1CC[C@H](N(C)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 1324574514 BIYAJNOCWOOMMC-QLXQBBHQSA-N 391.472 -0.182 30 10 GBEE C#C[C@@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CCOCC1 1328280366 FFMIZEASHVSGDD-QGZVFWFLSA-N 389.456 -0.302 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCNC3=O)CC2)cc1 1328661617 LCPUYJBDRAETSB-HNNXBMFYSA-N 376.438 -0.036 30 10 GBEE C#CCCCn1c(CC2CC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1358932686 SPHZUFJIMYSBDV-UHFFFAOYSA-N 383.460 -0.021 30 10 GBEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(=O)NC)C1 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CN1CCN(C(=O)CC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)CC1 410155438 TZMPYVMQDPVGFJ-MRXNPFEDSA-N 399.517 -0.668 30 10 GBEE CCO[C@@H]1C[C@](NS(=O)(=O)N2CCO[C@@H](C#N)C2)(C(=O)OC)C1(C)C 410421042 TZBHROPILXXOIB-ZOWXZIJZSA-N 375.447 -0.208 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(CC)C[C@H]2C)CC1 410796167 ZAVHMAACPGITOH-SJORKVTESA-N 393.532 -0.379 30 10 GBEE CN(C)C(=O)COc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 530267301 PDFXOKUDMRLBLR-UHFFFAOYSA-N 397.391 -0.015 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)C2)c1 582431604 KRSWUEFOMQQYOO-NSHDSACASA-N 386.455 -0.361 30 10 GBEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)C1 595991897 UIXVPUWRDMIWGO-SPYBWZPUSA-N 375.473 -0.145 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1C[C@H](O)COc1ccc(CC#N)cc1 599662255 IOXGYMDQJARPAQ-CVEARBPZSA-N 383.470 -0.258 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCOC2)CC1 609823802 VTDNVQISYVFBBM-AWEZNQCLSA-N 385.467 -0.017 30 10 GBEE 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C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)cc2C1=O 1297991302 ODTCMQIMUPOLTH-KRWDZBQOSA-N 378.406 -0.252 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)cc1 1313214851 AZWHRDISOBDDRZ-UHFFFAOYSA-N 380.412 -0.075 30 10 GBEE CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 1321635355 GMDFCYOQNWVTQY-GRYCIOLGSA-N 383.430 -0.322 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)n1 1322712029 XZORLWBLJQHJNR-HNNXBMFYSA-N 396.469 -0.815 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)n1 1332600148 ICTGAVDIUOIXJZ-OAHLLOKOSA-N 375.429 -0.772 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)C1CCN(C)CC1 1333118318 OBNVUQTYBOUEDB-GDBMZVCRSA-N 398.529 -0.624 30 10 GBEE C#CCCCc1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1C[C@H]1CCOC1 1336274675 OYQIPXMBDRGUOA-HUUCEWRRSA-N 394.501 -0.391 30 10 GBEE C=CCCOCCn1c(CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507965529 SLHKAXAXVJBOCZ-UHFFFAOYSA-N 389.464 -0.232 30 10 GBEE 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Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H](C)C(O)[C@@H](C)C3)CC2)c1C#N 1346954933 XAXQNNBWLYWXMO-STQMWFEESA-N 388.472 -0.276 30 10 GBEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)C1 1353416041 REVRITRLHLLJNI-VQIMIIECSA-N 378.473 -0.257 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@@H]1C 1359293224 KKUTYWXRPBXBPK-UONOGXRCSA-N 394.476 -0.029 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1508070854 FAPOFHGNQQOTBP-LBPRGKRZSA-N 378.433 -0.282 30 10 GBEE C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1N1CCN(C)CC1 1545793315 BNIZBHGOFOCPQL-ZBFHGGJFSA-N 388.472 -0.305 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)COCCN2)s1 1643704427 AYJRKXCVJQBTCM-OAHLLOKOSA-N 389.499 -0.778 30 10 GBEE COC(=O)c1ncoc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1650892967 YQPLIPGJMKGDMP-UHFFFAOYSA-N 378.366 -0.184 30 10 GBEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705530827 WHNJVIKGRUETDG-CYBMUJFWSA-N 380.412 -0.705 30 10 GBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)COC)CC1 1749725888 VZZFATUGHFWOGK-UHFFFAOYSA-N 385.490 -0.081 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCCOC)C1 1772566577 INIBCIRSYBIXRC-KGLIPLIRSA-N 392.460 -0.227 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N[C@H](C(=O)O)C(C)(C)S)[C@H](O)C1 1890556714 UTEMTLZKDKYTEB-XIZWVBILSA-N 392.474 -0.003 30 10 GBEE C[C@H](C#N)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O 2017556201 LFUAQDYPMKBVBP-VWYCJHECSA-N 381.476 -0.150 30 10 GBEE C=C(Br)CS(=O)(=O)N=[S@](=O)(N(C)C)N1CCNCC1 2105583999 IADUYLRRWZRSKS-IBGZPJMESA-N 375.314 -0.010 30 10 GBEE Cc1nc(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)n[nH]1 2282503299 XZPYKYYJMQOWOD-UHFFFAOYSA-N 382.255 -0.376 30 10 GBEE CC1(C)OB(c2cncc(C(=O)N3CC(NS(C)(=O)=O)C3)c2)OC1(C)C 2282667371 QRNGITYEGKBQSW-UHFFFAOYSA-N 381.263 -0.246 30 10 GBEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCNC1 2282832664 BNPYETARIJUUKE-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1OCC[C@@H]1F 2282838034 ZGTRQHGAKYOVOJ-VHSXEESVSA-N 390.246 -0.480 30 10 GBEE C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838447 OOJXMHCQJZMHGU-YPMHNXCESA-N 384.311 -0.004 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCO)C3COC3)c2)OC1(C)C 2282865368 SPVAOXNGHBYWQA-UHFFFAOYSA-N 384.263 -0.237 30 10 GBEE C[C@@H](CC(C)(C)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868403 MQGUQPZYHPSBSK-JTQLQIEISA-N 388.299 -0.058 30 10 GBEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(B2OC(C)(C)C(C)(C)O2)n1 2361525065 PFMIMMYUBIRLTF-ZYHUDNBSSA-N 381.263 -0.412 30 10 GBEE C#CC#CC1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2362087553 MTOXENRSEGCWHA-UHFFFAOYSA-N 375.259 -0.024 30 10 GBEE CC[C@H](C)/N=C(/NCC(=O)N(C)C)N1CCN(c2nccn(C)c2=O)CC1 262327935 ULTMUQMSKYHPMO-AWEZNQCLSA-N 377.493 -0.265 30 10 GBEE C[C@@H](CO)[C@@H](C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 295826557 VRDBREYIUMSXKQ-LSDHHAIUSA-N 394.497 -0.002 30 10 GBEE CN1CCN(C(=O)C2CCN(/C(O)=N/[C@H]3COC[C@H]3n3ccnn3)CC2)CC1 329252243 BWCXUZUHZLTSNK-JKSUJKDBSA-N 391.476 -0.382 30 10 GBEE CN1C(=O)C[C@@H](/N=C(/O)N2CC[C@H](CS(C)(=O)=O)C2)[C@@H]1c1ccnn1C 330169491 BMBJXNMJEZQOGH-YWPYICTPSA-N 383.474 -0.028 30 10 GBEE N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1 349487558 CQLZMNSHOUQIHO-CYBMUJFWSA-N 377.488 -0.519 30 10 GBEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](CNS(N)(=O)=O)C2)c1 533148451 NJHGRXMDFFESLA-CQSZACIVSA-N 386.499 -0.163 30 10 GBEE COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 555576397 GOQQXNLULIJVQI-KBPBESRZSA-N 379.486 -0.111 30 10 GBEE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccc(CC#N)cc1 582722289 BQOIZVJRZJPWBH-HNNXBMFYSA-N 378.454 -0.091 30 10 GBEE CNS(=O)(=O)CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 777042243 VSZRHXUKXSEJOY-UHFFFAOYSA-N 389.455 -0.402 30 10 GBEE C#C[C@@H](NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)[C@@H]1CCCO1 829213998 DOPJSODVJWZVGI-WISYIIOYSA-N 396.387 -0.283 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCO[C@](C)(COC)C2)n1 859372644 YVLKRBDFOMCIAO-IBGZPJMESA-N 392.456 -0.245 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cn(C)nc1Br 866555878 VFDYFCVSRYIZQZ-SECBINFHSA-N 396.288 -0.006 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1 1261516290 KQMFTUJYDLPTMP-GDBMZVCRSA-N 387.440 -0.043 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1301491722 WDCUDFNGRHSVRO-UHFFFAOYSA-N 399.455 -0.063 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1328595054 GBHBWQKLGDOQPB-KBPBESRZSA-N 381.429 -0.401 30 10 GBEE CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1328730369 ZOSFVLBGVFFVJW-RYZVSIALSA-N 378.458 -0.730 30 10 GBEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1342952497 UEOPKPORTJBEPZ-ZNMIVQPWSA-N 376.461 -0.049 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)[C@H]2COCC23OCCO3)C1=O 1460813220 HSKZWKQVLNSTPG-GFCCVEGCSA-N 395.412 -0.505 30 10 GBEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1519162268 CUUBGVNBUDZGGE-KBXCAEBGSA-N 391.476 -0.338 30 10 GBEE C=C(C)Cn1c([C@H]2COCCN2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1524296695 OLHVYSBSQLBRMG-UONOGXRCSA-N 389.460 -0.996 30 10 GBEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC(=O)N2CCOCC2)cc1 1555989145 ABHQIXNPAVIAAF-UHFFFAOYSA-N 395.423 -0.388 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(C3CCOCC3)n[nH]2)C1=O 1635255518 VEMDZTLAHBVNPD-UHFFFAOYSA-N 376.373 -0.708 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c1 1643802613 CATSEIFRZZGTRI-JKSUJKDBSA-N 377.466 -0.121 30 10 GBEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1643858479 DGHXASDDDTYPHG-GFCCVEGCSA-N 383.426 -0.125 30 10 GBEE COc1cccc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1645267759 MCJDIIFQOBGVIB-GUYCJALGSA-N 377.422 -0.178 30 10 GBEE C=C[C@@](C)(O)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1678387263 WTAVRAKUASZFKX-KJGCVMFHSA-N 382.457 -0.555 30 10 GBEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCS(=O)(=O)C1 1690592595 CHOKJPIPDUJXMC-CXAGYDPISA-N 395.485 -0.043 30 10 GBEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 1722537770 QNBKOWFILXUAQM-ZDUSSCGKSA-N 383.474 -0.291 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn2cccnc12 1736504991 ZLAIBZRFBVLDBC-SNPRPXQTSA-N 380.408 -0.270 30 10 GBEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1748972619 MDVNOVVERUUCLD-SFHVURJKSA-N 395.529 -0.120 30 10 GBEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)CCO1 1850834988 DTCFTRWLBNABKO-QWRGUYRKSA-N 384.380 -0.154 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(O)CCC(=O)O)n1 2269038056 MDZWSTHRXHVCMT-UHFFFAOYSA-N 375.212 -0.426 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3O)c2)OC1(C)C 2282300293 DFRPHRQCDLPKGS-KGLIPLIRSA-N 384.263 -0.191 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@@H](N)C1 2282832755 BZXNHCGSGSXXTG-LLVKDONJSA-N 385.299 -0.384 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H]2[C@@H]1CO 2282850383 OGNOIYLCGXQLLP-TUAOUCFPSA-N 383.279 -0.279 30 10 GBEE Cn1nc(C(=O)N[C@](C)(CO)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284459988 SQVXIYMSGQGXLI-OAHLLOKOSA-N 387.629 -0.062 30 10 GBEE Cc1cn([C@H]2C[C@H](OS(=O)(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O 4336855 BJVOLIJOYBCXOM-BFHYXJOUSA-N 382.394 -0.101 30 10 GBEE C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12[C@@H]([C@@H](O)[C@@]3(O)O[C@H]1O)C(C)(C)CC[C@H]2O 257390255 BTWFVPFIPDEZTE-AFCDEDCESA-N 380.437 -0.306 30 10 GBEE biogenic C=CCOC[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1)C(=O)OC 597607063 MMIRAGPEWVUJOF-CWRNSKLLSA-N 377.397 -0.160 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)CC1 671099675 GFCJXWRZSIDLES-HZPDHXFCSA-N 377.489 -0.824 30 10 GBEE COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C 729670596 XIIDMVKZQHWBLT-UHFFFAOYSA-N 383.433 -0.640 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)CC1 730079258 WMLAFOFTFYBUHI-HUUCEWRRSA-N 380.514 -0.172 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 800053651 JAWHRBAVFTXPTP-LSDHHAIUSA-N 384.502 -0.125 30 10 GBEE N#Cc1cccnc1NCCNC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 825938037 GAPYBUIHMDNEJI-INIZCTEOSA-N 379.442 -0.036 30 10 GBEE C#CCN(CC#C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 848511403 PNOFNWZETQBFHL-UHFFFAOYSA-N 390.446 -0.018 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 896746561 AYYDGOWUYMBDER-INIZCTEOSA-N 399.517 -0.966 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2c2ccnn2C)CC1 910857196 YOUWKAGRKDICQR-MRXNPFEDSA-N 388.472 -0.470 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2COc3ccccc3O2)CC1 1117049428 JOJUPRVFVTZSSU-HNNXBMFYSA-N 385.420 -0.069 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC(N2CC[C@@H](O)C2)CC1)C1CCN(C)CC1 1120500756 QIJCGXUNJAKOQF-GOSISDBHSA-N 376.501 -0.400 30 10 GBEE Cn1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(O)nc1=O 1190827611 CNQQGSVHDJOHFB-UHFFFAOYSA-N 376.398 -0.737 30 10 GBEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCNC(=O)CO)c1 1291629872 WWXSLLPMUWRZED-XMHGGMMESA-N 382.442 -0.064 30 10 GBEE Cn1c(=O)[nH]c(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c(C#N)c1=O 1307203613 FIHTXNNFPWEFBV-UPJWGTAASA-N 375.429 -0.419 30 10 GBEE C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 1322761484 BZDKSZJGMTUTNN-LBPRGKRZSA-N 379.442 -0.849 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(C2CC2)CC1 1325886726 DCYHKWGQSCUVJG-AWEZNQCLSA-N 383.456 -0.308 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 1330441534 JFYVUCNXUZRJFN-WOPDTQHZSA-N 375.347 -0.238 30 10 GBEE C#CCN(C(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1)C1CCN(C)CC1 1333278224 UUUTYFQRUQYCAM-UHFFFAOYSA-N 398.529 -0.670 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)CC1 1334631616 LDKWNWLCCMKATR-QPSCCSFWSA-N 379.490 -0.445 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCS(C)(=O)=O)CC1 1359028446 SGAZOPFLRJVDAH-UHFFFAOYSA-N 382.490 -0.784 30 10 GBEE COC(=O)CCN(CC#N)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1438602803 QFYDICIFWPSFII-NSHDSACASA-N 384.414 -0.933 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCCOC)c2)C[C@H]1O 1489402784 UTFBITBJMQWAFB-VQHPVUNQSA-N 392.456 -0.188 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 1490799818 BEDIHJFKTKEMQV-KBXIAJHMSA-N 375.433 -0.608 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CCC(S(C)(=O)=O)CC2)CC1 1588199195 IVVDATWHJKDCQE-UHFFFAOYSA-N 391.515 -0.798 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc[nH]c(=O)c3s2)CC1 1588199213 JHDKIGUYMZJMIS-UHFFFAOYSA-N 380.451 -0.185 30 10 GBEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1598568287 SPBYYABNTCGGFX-IINYFYTJSA-N 386.455 -0.725 30 10 GBEE O=C(N[C@@H]1CCN(O)C1=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1628369886 FACARZHMMDLXAN-SNVBAGLBSA-N 389.455 -0.387 30 10 GBEE CS(=O)(=O)CC1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COC1 1634589002 SSHZQKMXXSOFKW-HNNXBMFYSA-N 391.449 -0.163 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)OC)c1 1648345231 UAHXIFXBZZAQHW-CQSZACIVSA-N 393.421 -0.946 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 1648401681 AGWNWDGYACCXPI-DLBZAZTESA-N 392.481 -0.106 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C)n(-c3ccccc3)n2)CC1 1650846182 MOCLKBSFSPPKPW-UHFFFAOYSA-N 388.453 -0.199 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nnc3ccccn23)CC1 1675268163 BIKPRIJKAHXQHC-ZDUSSCGKSA-N 391.457 -0.415 30 10 GBEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1684876639 HBWHDDSOFXMEJO-UHFFFAOYSA-N 395.437 -0.531 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CCCO 1705541621 NXCILYBAISVKHO-CABCVRRESA-N 398.533 -0.196 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(CCO)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1719658055 XWCOGWUHZMSLPW-WCVJEAGWSA-N 379.457 -0.489 30 10 GBEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC 1722419357 YJMUMDZUYVNMHT-UHFFFAOYSA-N 398.489 -0.851 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722699224 SIRKFFLYMBYNPD-KGLIPLIRSA-N 389.460 -0.312 30 10 GBEE C=CCOCC(=O)N1CCO[C@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1740259790 VXBGIXXXIVLNRY-MFWIUYSUSA-N 382.457 -0.026 30 10 GBEE CN(C(=O)Cn1cnc2ncccc2c1=O)C1CN(c2nccnc2C#N)C1 1891758097 JYZYARVCIKULPJ-UHFFFAOYSA-N 376.380 -0.200 30 10 GBEE CC[C@H](C#N)N1CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 2201046953 NHZPXQLISBWAMI-QPSCCSFWSA-N 382.461 -0.226 30 10 GBEE Cn1nc(C(=O)NC[C@H]2CCS(=O)(=O)N2)cc1B1OC(C)(C)C(C)(C)O1 2281980689 KIOQRAIKTMWEGN-SNVBAGLBSA-N 384.267 -0.859 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H](F)C[C@@H]2CN)n1 2282488149 AYIZSBONYMIPFH-GHMZBOCLSA-N 388.274 -0.221 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2C[C@H](N)C[C@@H](C(N)=O)C2)OC1(C)C 2282611182 HXBPEKNSLDXKDO-NXEZZACHSA-N 380.279 -0.283 30 10 GBEE Cn1c(=O)cc(O)n(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)c1=O 2282614688 TWMQGJHSBNPVMY-UHFFFAOYSA-N 379.203 -0.303 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N=c2cncc(F)[nH]2)n1 2282844950 KYSUBJSSFIIZRA-UHFFFAOYSA-N 383.214 -0.129 30 10 GBEE C=CCN(CC(=O)O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284395523 MFRLTIWXFRPWGW-UHFFFAOYSA-N 386.239 -0.624 30 10 GBEE C[C@H](C=CC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284409604 LJOMXUREVPVIGT-SECBINFHSA-N 386.239 -0.578 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)OC1(C)C 2289402832 SWNYPZQPTDJLQZ-USWWRNFRSA-N 384.263 -0.772 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)[C@@H](O)[C@@H]3C(=O)O)cs2)OC1(C)C 2359399530 JEMUIYPHILBRCZ-YUSALJHKSA-N 383.231 -0.322 30 10 GBEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@H](C)n2cnc(C#N)n2)C1 409631573 PDENROIETOBLPV-CHWSQXEVSA-N 376.417 -0.029 30 10 GBEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@H](C)n2cnc(C#N)n2)C1 409631580 PDENROIETOBLPV-STQMWFEESA-N 376.417 -0.029 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 416371174 IMJNIDKWFHFHEK-UHFFFAOYSA-N 398.416 -0.131 30 10 GBEE CC[C@H](C)[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NCCN1CCOCC1 467270236 XYHROINBSBJFEC-OFQRWUPVSA-N 391.476 -0.310 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(CCN(C)C)CC(=O)N(C)C 594841858 AWGYMGCSIGQDOB-UHFFFAOYSA-N 396.469 -0.015 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@]2(OCCO)CCOC2)c1 598770526 XMBMHJMOOXXAMY-MRXNPFEDSA-N 383.426 -0.879 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 658447389 OHLDMTYUISMJSD-OAHLLOKOSA-N 379.505 -0.578 30 10 GBEE C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 729265811 IIUTZVCYWXJLDT-ZDUSSCGKSA-N 385.467 -0.605 30 10 GBEE C#CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCS(=O)(=O)C1 729332145 KKKGNXOKACDGOC-ZDUSSCGKSA-N 383.451 -0.867 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN1C1CC1 732669746 PDKZGWIZLGRNKN-LLVKDONJSA-N 375.410 -0.423 30 10 GBEE COC(=O)C(C)(C)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 779168631 JIQRNQRUHBDMRQ-NXVVXOECSA-N 378.429 -0.001 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)(CO)C2)cc1 848954427 HLWAUMPYURUDRL-UHFFFAOYSA-N 397.478 -0.163 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 875153538 XRIOVHLQNKUPKA-INIZCTEOSA-N 386.452 -0.394 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1OC 941976862 VLEJLADSYBVNFM-XNISGKROSA-N 392.456 -0.339 30 10 GBEE CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117316959 GLKLFKZLFVWUDU-UWZWCOGJSA-N 377.445 -0.380 30 10 GBEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)C1 1118265841 YKNFSQSRKNAQHD-CQSZACIVSA-N 376.438 -0.059 30 10 GBEE CN1CCN(CCCCNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1119069331 SULJFFCCUQUYDP-KRWDZBQOSA-N 376.505 -0.671 30 10 GBEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1119125192 BIZZRXBWNYMLQB-BZSNNMDCSA-N 376.501 -0.183 30 10 GBEE CN(CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)[C@H]1CCS(=O)(=O)C1 1151224288 GRKGRZYIXOMSFU-NSHDSACASA-N 382.446 -0.825 30 10 GBEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1330092714 SPVBEZKCELGXJX-ZDUSSCGKSA-N 396.473 -0.169 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)C2CCC(S(C)(=O)=O)CC2)CC1 1331895800 ZHTQPHPWIFQFGV-UHFFFAOYSA-N 383.514 -0.127 30 10 GBEE COCCOCCN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1349522245 FLJUBIHLLCVJJE-MSUUIHNZSA-N 395.460 -0.497 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C2COC2)nn1 1358977486 NETSZBKLOAGFSK-OAHLLOKOSA-N 380.412 -0.487 30 10 GBEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)COC)CC1 1540873989 RFXMDOMVLKAAJG-UHFFFAOYSA-N 376.461 -0.172 30 10 GBEE C[C@H](CC(=O)N1CC[C@H](O)[C@H](CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1570398347 BIUCFLOWVUUOOC-DYEKYZERSA-N 381.454 -0.295 30 10 GBEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1595537341 PQCORDJGCJOJHD-UHFFFAOYSA-N 382.490 -0.071 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1595537680 VYFRKTSJYBZSAT-KGLIPLIRSA-N 399.459 -0.036 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C#N)CC1 1656642637 XXRNBEIVIVKMCW-UHFFFAOYSA-N 382.467 -0.359 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1689999776 IABPKCYDCIPLOY-XJKSGUPXSA-N 397.526 -0.171 30 10 GBEE CC#CCCCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O 1719124160 IHKIGWBPLMAQBK-FPCVCCKLSA-N 379.457 -0.319 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCS(C)(=O)=O 1722386820 MGOXEKWFIBFXCV-UHFFFAOYSA-N 377.470 -0.092 30 10 GBEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cncn2)C1 1770727096 CBJVOKFMDYZIAP-DOMZBBRYSA-N 394.436 -0.086 30 10 GBEE Cn1c(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc(=O)n(C)c1=O 1856515438 GCHWCJRDSVATIV-STQMWFEESA-N 385.424 -0.549 30 10 GBEE N#CCC(=O)N1C[C@H](CN2CCN(c3ccc4nncn4n3)CC2)CCC1=O 1856952241 MXNYCKLQFHKUPU-AWEZNQCLSA-N 382.428 -0.075 30 10 GBEE CC1(C)OB(c2nc(=NC(=O)N[C@H]3CCS(=O)(=O)C3)s[nH]2)OC1(C)C 1893243219 KAGJVCAJIUQOLL-QMMMGPOBSA-N 388.280 -0.432 30 10 GBEE CN1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](CNC(=O)C(F)(F)F)C1 2174784659 QLHDTDKTUFRJGC-NSHDSACASA-N 391.375 -0.064 30 10 GBEE C=C(CS(=O)(=O)NC[C@@H]1CCS(=O)(=O)N1)B1OC(C)(C)C(C)(C)O1 2255800180 CIPNRXDQESVGPQ-NSHDSACASA-N 380.297 -0.215 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CCNC[C@@H]1C2 2282337896 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10 GBEE C/N=C(/NCCN1CCN(C(=O)C2CCC2)CC1)N1CCN(C2CC2)C(=O)C1 261665740 BLFMBLXAJAETBP-UHFFFAOYSA-N 390.532 -0.187 30 10 GBEE CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 349444546 AJBQWRXBJAPAJJ-AWEZNQCLSA-N 385.467 -0.024 30 10 GBEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 409512074 HCCPPORNVGJDIU-AWEZNQCLSA-N 398.489 -0.392 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 424934908 WBIJUHMQRZJLSS-GWCFXTLKSA-N 381.410 -0.051 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC3(CCCOC3)C2)CC1 594636258 BVKYIPDUBFUUAR-UHFFFAOYSA-N 377.488 -0.206 30 10 GBEE C(#CCN1CCN(c2nccnn2)CC1)CN1CCN(c2nccnn2)CC1 625645292 VZGBEIQZKDOBCN-UHFFFAOYSA-N 380.460 -0.996 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N=c2nc(C3CCOCC3)[nH]s2)C1=O 629099241 CHNGNWXBKNCXDU-UHFFFAOYSA-N 379.398 -0.231 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CCO[C@H](C)C2)CC1 673435222 BSSLPWCLXUUIDB-CVEARBPZSA-N 380.489 -0.246 30 10 GBEE N#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 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C#CC[C@@H](O)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2244232326 NTIZALDXBWTTGL-ZIAGYGMSSA-N 384.410 -0.330 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@@H]3NC(=O)C(=O)N[C@@H]3C2)C1 2281229643 AETDXJGOGGRQLU-YISRUWBESA-N 376.413 -0.882 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2CC[C@@](O)(CO)[C@@H](O)C2)OC1(C)C 2282029216 PGRFLNDDBPMVTN-YVEFUNNKSA-N 383.275 -0.023 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCCC(N)=O 2282289887 JMUUQWDLHHTODO-UHFFFAOYSA-N 387.271 -0.952 30 10 GBEE Cn1cc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282553704 SPMHLQNFUSGXSS-NSHDSACASA-N 383.279 -0.022 30 10 GBEE Cc1nc(S(=O)(=O)Nc2ncn(C)n2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282839670 HKNDQFLUWPGGNB-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE CO[C@@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282846764 OEYQPFMBYTZOMV-GHMZBOCLSA-N 386.283 -0.040 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)NC[C@@H](O)C(=O)O)OC1(C)C 2284417230 IFVKITNQEJIXSH-CYBMUJFWSA-N 385.247 -0.149 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCSCCO 2335626256 OCDTVVLMYULZQW-UHFFFAOYSA-N 391.324 -0.277 30 10 GBEE COc1ccc(C(=O)N2CCN(CCNc3cn[nH]c(=O)n3)CC2)cc1C#N 96618054 CTEZXSFJKZASNL-UHFFFAOYSA-N 383.412 -0.085 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOC)[C@H](CC)C2)c1=O 117324886 SUBZLXSPZIJQRC-MRXNPFEDSA-N 393.488 -0.456 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCN(CCC)CC2)CC1 477624507 FGJIJLYJMZCMBU-UHFFFAOYSA-N 393.532 -0.329 30 10 GBEE N#Cc1ccc(OCCNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 576568674 AHCDQOGLZVDAEP-UHFFFAOYSA-N 393.469 -0.434 30 10 GBEE N#CCC(=O)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 579254615 PKFZZWPESHVPEH-UHFFFAOYSA-N 393.469 -0.949 30 10 GBEE COC(=O)C1(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)CC1 600607050 CMLPCEUPZVNZMU-UHFFFAOYSA-N 391.380 -0.254 30 10 GBEE C[C@@H]1[C@@H](C[S@+](C)CC[C@H](N)C(=O)O)O[C@@H]([C@H]2[CH-][CH-]c3c(N)ncnc32)[C@@H]1O 642814965 OSIJUXFTNXJVEU-RYLOECAYSA-O 395.505 -0.273 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)c1 735382376 ZZHOLIRYPDHCAV-CYBMUJFWSA-N 376.398 -0.675 30 10 GBEE C#CCN(CC(=O)N1CC[C@H]2CN(C)C[C@H]21)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 823100272 BDVZTHQFTIDBRI-SEXKYXSUSA-N 387.528 -0.753 30 10 GBEE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CCO1 867605761 XJXAJSFGCWDYQU-SUMWQHHRSA-N 390.415 -0.046 30 10 GBEE C#CCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 928654844 FXOXYGXKVCBBBE-CYBMUJFWSA-N 381.502 -0.082 30 10 GBEE C#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC 1141997964 DLHNKSVTIJYZLP-TUVASFSCSA-N 398.481 -0.223 30 10 GBEE N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cn1 1252237840 QDRVANWYXIZVCN-HNNXBMFYSA-N 391.453 -0.986 30 10 GBEE CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)[C@@H]1CCN(CC(=O)NCC#N)C1 1267474970 LTOJVNPZBBQYDW-UIBIWLFHSA-N 378.473 -0.009 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)C1 1286793823 MURWJJRIDYCJSA-WFASDCNBSA-N 378.433 -0.760 30 10 GBEE 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C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(c2nncn2C)CC1 1351714365 MRBZCVSWHOHFHA-UHFFFAOYSA-N 387.492 -0.124 30 10 GBEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1352234564 HUTQJVQDWKMKTB-HIFRSBDPSA-N 390.444 -0.064 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)CC2(C)OCCO2)CC1 1478194033 LAMQOTJNFCVQOE-CQSZACIVSA-N 388.490 -0.430 30 10 GBEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539071977 ILHNSCPJSHUHAK-CABCVRRESA-N 386.456 -0.268 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540872113 CYKDURMAFWWMRJ-LBPRGKRZSA-N 387.448 -0.325 30 10 GBEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(N)=O)C1 1540875006 YOLDMQPHMZCDRZ-CQSZACIVSA-N 386.460 -0.246 30 10 GBEE CN(C)C1CCN(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1679711343 XEMMKLVRJQZQDK-UHFFFAOYSA-N 389.460 -0.587 30 10 GBEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705905814 HXCJAFNQMNVYKK-OAHLLOKOSA-N 376.461 -0.126 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccsc2)C1 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C=CCn1c([C@@H]2C[C@H](O)CN2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1342062021 PCHKCFWRIHGRRC-GJZGRUSLSA-N 386.460 -0.212 30 10 GBEE C#C[C@H]1CCCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 1346550446 CVHMULNOVYSJBF-KRWDZBQOSA-N 384.484 -0.023 30 10 GBEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1450270247 NWPVIQJYICWEFS-NWDGAFQWSA-N 391.833 -0.524 30 10 GBEE C#CCN1CCN(c2nnc([C@]3(C)C[C@H](O)CN3C)n2C[C@H]2CCOC2)CC1 1516346581 JGNAQQCFSDMNKP-UWVAXJGDSA-N 388.516 -0.019 30 10 GBEE COC(=O)CN(CC#N)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1586664191 IHEGLVOLIWCARR-GFCCVEGCSA-N 389.817 -0.496 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 1644281614 IIDUJRXNQHULLE-UHFFFAOYSA-N 382.398 -0.171 30 10 GBEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc(CO)nn1 1690527932 UWSRRBKYHHXMOG-ZDUSSCGKSA-N 395.489 -0.024 30 10 GBEE CN1C[C@H](C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)CC1=O 1857120162 OVBDXCVTLXUCFE-IUODEOHRSA-N 383.408 -0.378 30 10 GBEE C#CCN(C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123549417 CRJXSSAGMDIIOC-VXGBXAGGSA-N 387.458 -0.596 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)OC1(C)C 2281977250 MOTNPCYVGIAEIC-SNVBAGLBSA-N 384.267 -0.527 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(C)(C)C(C)(C)O 2282296410 ZPXWIPZLUQJGHN-UHFFFAOYSA-N 388.299 -0.058 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CN 2282329139 IJJMNRNDYMRWTG-QJPTWQEYSA-N 382.295 -0.313 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H](C(N)=O)C1 2282336954 IBYYLLLXIKOKBV-SNVBAGLBSA-N 384.267 -0.785 30 10 GBEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 2282555541 VAGPPNAPHFQEMV-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@H]3[C@@H]2C[C@H]3O)n1 2282838855 VNNXKGUPOMINLG-WCFLWFBJSA-N 383.279 -0.137 30 10 GBEE CN(C[C@H]1CCNC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282843640 QJYAYCRZJFTTTJ-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC(=O)N1 2282848760 RIDZXQFMBZYTNC-SNVBAGLBSA-N 384.267 -0.772 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H]1C(=O)O 2284404124 WOPIHOZTBFDHFR-LLVKDONJSA-N 385.251 -0.043 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)OC1(C)C 2289406685 QGRFJGRESYAUMH-WXHSDQCUSA-N 383.275 -0.167 30 10 GBEE C[C@@H](C#CC(=O)O)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2318614079 KKBLJZFLVCZUMR-QWRGUYRKSA-N 376.431 -0.093 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@H]3CN[C@@H]2C3)n1 2359281875 NBKHJDJCOBUPKH-CYZMBNFOSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2359399757 WXLATQNLEBOVEQ-GMTAPVOTSA-N 383.231 -0.322 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCS(=O)(=O)CCO 2360921737 QNPMMKSPPDMSJA-UHFFFAOYSA-N 386.279 -0.539 30 10 GBEE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C 349486639 BAPLTHYJJSENGV-VXGBXAGGSA-N 394.519 -0.316 30 10 GBEE CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]2(C#N)CCOC2)C1 349499541 DJZXFDLZALXKHL-ZIAGYGMSSA-N 395.503 -0.629 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 374970661 OQPCFPXKKZDOKS-ZFWWWQNUSA-N 378.454 -0.232 30 10 GBEE C=CCOC[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)OC 481591496 LOIBMLQFDYPKDF-ZDUSSCGKSA-N 398.503 -0.678 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN(C(C)C)C(C)C)CC1 559375581 XSDJUIRBXWEGCZ-UHFFFAOYSA-N 381.521 -0.332 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cncc(OC(C)C)n2)CC1 654787857 KCRDAWODFWNNDG-UHFFFAOYSA-N 390.444 -0.351 30 10 GBEE CC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 846260875 KUFFWIYGKAMPIA-IAGOWNOFSA-N 388.424 -0.586 30 10 GBEE C#C[C@@H](NC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1)[C@H]1CCCO1 861752312 FJYSDTDXDZNQDN-FPCVCCKLSA-N 390.440 -0.933 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nc(OC)ncc2Br)CC1 882713472 URVIFHHPSULHRK-UHFFFAOYSA-N 390.263 -0.163 30 10 GBEE CC1CCN(CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1117358574 BXVZIXVNCNJIAV-NXVVXOECSA-N 377.445 -0.523 30 10 GBEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCN(C(=O)N3CCNCC3)CC1)C2 1118904160 YKXYOYHEMGFKDR-UHFFFAOYSA-N 396.451 -0.430 30 10 GBEE C=C[C@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1292232393 VUVIJJKOZOAKOG-SDFXEEBMSA-N 378.429 -0.497 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301497652 ZQOFLBZEZWEXFR-CQSZACIVSA-N 399.459 -0.463 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1325535967 SVTPXXUYBNXTPY-UKRRQHHQSA-N 393.465 -0.025 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1326250733 PRELEXMNPZVADD-FNFWKMNBSA-N 378.429 -0.470 30 10 GBEE C=CC(C)(C)CCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1329816624 VQMFNJFDGUMSST-UHFFFAOYSA-N 392.456 -0.475 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](COC)[C@H]2CCCOC2)CC1 1333969590 WEGAGGFEBXALMU-HOTGVXAUSA-N 379.457 -0.468 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)CC1 1334631618 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C#CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 729331708 GHXXSPJJAWRTQO-GDBMZVCRSA-N 388.449 -0.245 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)n1 809239820 PGKXZGMURBFELO-HOTGVXAUSA-N 389.456 -0.478 30 10 GBEE C#C[C@@H]1COCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 838262830 GFLWLLWHQBNOPB-CQSZACIVSA-N 379.438 -0.473 30 10 GBEE CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC2(CN(C)C(=O)O2)C1 848957710 NWYDTGXCAWJUTF-UHFFFAOYSA-N 394.475 -0.982 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC2(CN(C)C(=O)O2)C1 848958280 XTORIJKTESIXTD-LLVKDONJSA-N 394.475 -0.984 30 10 GBEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 906891662 IXNXCZJREBEYLG-HZPDHXFCSA-N 384.479 -0.556 30 10 GBEE CN(C)CCN1CCC(NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 914018077 XIFCHMRGFMKOSJ-PBHICJAKSA-N 383.518 -0.408 30 10 GBEE CN1CCN(c2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccn2)CC1 1159491790 ZQQRFMAQBHIAQU-UHFFFAOYSA-N 395.423 -0.336 30 10 GBEE C#CCN1CCCN(C(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)CC1 1293715875 MZNIRURTQFBXNC-UHFFFAOYSA-N 398.467 -0.112 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N2CCNCC2)C(F)(F)F)C1 1327551545 RLCDEFBJNXRJNI-CHWSQXEVSA-N 378.395 -0.258 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC3(CCOCC3)CO2)CC1 1330062797 QBGQFVYVKIJNLA-INIZCTEOSA-N 391.468 -0.324 30 10 GBEE C#Cc1cccc(CNC(=O)C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)c1 1331425588 JPXVWZYITPMMCT-OAQYLSRUSA-N 399.447 -0.240 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 1336127004 ADPGBZNGTSASNS-KFWWJZLASA-N 379.490 -0.301 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 1345230199 VFRNTJSIYGOEFJ-OAHLLOKOSA-N 388.424 -0.014 30 10 GBEE C#CCN(C(=O)C(=O)NCC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1346744758 PMDNWSCGNWURBQ-HNNXBMFYSA-N 383.514 -0.127 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nnc3n2CCNC3=O)c1 1464386588 VSPQGQOVOYVQJC-UHFFFAOYSA-N 390.425 -0.584 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1OC 1489546474 NYZFKQGPLRQAMG-LVQVYYBASA-N 377.445 -0.009 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(O)nc(C)nc3c2)CC1 1558075032 NFUPBNNECSFAAD-UHFFFAOYSA-N 389.437 -0.131 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@@H]1O 1572999817 DLGRUDNPVRRNLA-LOUJCGABSA-N 391.424 -0.322 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CCO1 1620355506 JYYMBQALIIAIIR-XQQFMLRXSA-N 394.457 -0.812 30 10 GBEE C#CC1(O)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1640069728 FBTBDGMYCMVHJX-OAHLLOKOSA-N 393.465 -0.578 30 10 GBEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1690125598 JAWKYHMVSRBGJT-GOSISDBHSA-N 395.529 -0.219 30 10 GBEE CCOCc1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696344071 XYDXCIPWBMXERN-NXVVXOECSA-N 389.416 -0.723 30 10 GBEE C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H](NC(C)=O)C(N)=O)C1 1740390846 DKCGCDWPRSKCMP-KBXIAJHMSA-N 376.457 -0.029 30 10 GBEE CNC(=O)[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1767709545 TYVDGXDZEONNRU-ZPTIMJQQSA-N 389.416 -0.936 30 10 GBEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(n4nccn4)C3)CCC2=O)CC1=O 1855055072 QPBICIBPZUMPJM-LSDHHAIUSA-N 386.456 -0.066 30 10 GBEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1CC(=O)N1CCOCC1 1857091855 RLNZXPXFXXDQIS-UHFFFAOYSA-N 385.424 -0.125 30 10 GBEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H](O)CO 2267707862 ZDLNVQUXOOEHRF-MWLCHTKSSA-N 392.308 -0.397 30 10 GBEE CC(C)(CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NS(C)(=O)=O 2281979808 QCSOODVGEXOKFO-UHFFFAOYSA-N 386.283 -0.234 30 10 GBEE Cn1nc(C(=O)NC2CN(C(N)=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040023 CZVXDXBERGHKGH-UHFFFAOYSA-N 383.645 -0.135 30 10 GBEE C[C@H]1C[C@@H](N)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282300030 ZOCMZOMQCCQJOM-WDEREUQCSA-N 385.299 -0.528 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H]2CONC2=O)OC1(C)C 2282410010 UJGUYNVJXWJGSU-CYBMUJFWSA-N 382.247 -0.165 30 10 GBEE 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C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 538199080 QPJPORWSUBHFQR-CABCVRRESA-N 381.477 -0.748 30 10 GBEE Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 544866291 LNZQTAWNGXUXAP-UHFFFAOYSA-N 389.441 -0.686 30 10 GBEE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)Cc1ccc(C#N)cc1F 599508518 YVHCQHZUYQCVBK-ZDUSSCGKSA-N 391.446 -0.223 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 875222859 WTWWUBOGEGDCSJ-SJORKVTESA-N 387.484 -0.137 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)C1=O 880498002 FFPYRIMBFDDXOT-QWHCGFSZSA-N 378.429 -0.421 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(OC)CCOC1 1300509941 ZLKUJHJRRPIEPS-YOEHRIQHSA-N 395.485 -0.233 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCn1cc(CO)nn1 1300529916 RVIQPHCARIYFOT-UHFFFAOYSA-N 377.412 -0.018 30 10 GBEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300596855 XNRVNNWWTZNFOQ-KRWDZBQOSA-N 395.485 -0.477 30 10 GBEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC(NS(N)(=O)=O)C2)CC1 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C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749667260 WNHMHSWTXZUNCZ-AGIUHOORSA-N 387.444 -0.754 30 10 GBEE C=CCN([C@H]1CCCN(C(=O)Cn2ncccc2=O)C1=O)[C@@H]1CCN(C)C1=O 1853804501 KTQBXSVPWSDAPB-LSDHHAIUSA-N 387.440 -0.520 30 10 GBEE C#CC1(O)CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2249446329 JSNYDDQZHIGEFZ-AWEZNQCLSA-N 396.421 -0.536 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)OC1(C)C 2281923139 BYZWCQFWHBNFNR-PHIMTYICSA-N 381.263 -0.175 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCn1cnnc1 2282331916 TWSLUUUXZIPUPS-UHFFFAOYSA-N 382.255 -0.711 30 10 GBEE CN1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2282493256 SLDYMQGFNRRSGT-QWHCGFSZSA-N 382.295 -0.204 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](CCO)C(F)F 2282862111 YSMHYSZMCRBCIG-MRVPVSSYSA-N 396.225 -0.591 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CC(=O)O)C1CC1 2284393244 IUNUKXDSJWLBAA-UHFFFAOYSA-N 385.251 -0.043 30 10 GBEE 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C=CCCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](c2cnn(C)c2)C1 1344328248 WBIOTDGTQFNCPS-XUWVNRHRSA-N 389.456 -0.170 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cncc2nc[nH]c12 1347594533 CMTULDLQCJVMIM-KYOSRNDESA-N 380.408 -0.041 30 10 GBEE O=C1CN(CC(=O)OCC#Cc2csc(CN3CCOCC3)c2)CCN1 1347948086 BIKYJJIVWBNAPX-UHFFFAOYSA-N 377.466 -0.093 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2nc[nH]n2)CC1 1557256330 DBPHHYUYYJTUHA-UHFFFAOYSA-N 375.414 -0.808 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 1626221398 JKNUBPKSZUWSLJ-UHFFFAOYSA-N 391.453 -0.410 30 10 GBEE Cn1cc(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)c(-c2ccc(C#N)cc2)n1 1634174416 FUTHHQIOBCISRG-UHFFFAOYSA-N 395.423 -0.202 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)nc(CO)n3C)CC1 1636480723 WIFOKKGOLLTGRT-UHFFFAOYSA-N 391.453 -0.709 30 10 GBEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)CN3CCOC3=O)C2=O)C1 1854337702 WTZYGXSHGGEDAC-OAHLLOKOSA-N 399.407 -0.014 30 10 GBEE C=C[C@]1(CO)COCCN1C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2199849647 VJVFFQYJKCJHNZ-JEBQAFNWSA-N 386.445 -0.505 30 10 GBEE Cc1nc(S(=O)(=O)NCC[C@H](O)CO)c(B2OC(C)(C)C(C)(C)O2)n1C 2282505511 FJHDYHXWUYNUFB-NSHDSACASA-N 389.283 -0.951 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3NCC[C@@H]3C2)n1 2282835459 VDGDHQHVXJWXHM-DGCLKSJQSA-N 382.295 -0.298 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2CO 2282836625 MLBPYHHXEMRGNV-MXWKQRLJSA-N 384.267 -0.884 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@H](N)C1(C)C 2282869022 WEABOOCMYWRUDY-UWVGGRQHSA-N 385.299 -0.482 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284405651 NURRINFTNSOHOK-MWLCHTKSSA-N 385.251 -0.187 30 10 GBEE CN1CCN(C(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)C[C@@H]1C#N 2351767121 HGMVXRFTCSRCSK-LBPRGKRZSA-N 386.474 -0.313 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)C1=O 67197574 PWSIAWPPZOYYPW-AWEZNQCLSA-N 386.408 -0.221 30 10 GBEE CN(C)C(=O)CCN1CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328745462 PIOZLZTWOOXKFO-CQSZACIVSA-N 389.522 -0.580 30 10 GBEE CC(C)N1CCO[C@H](CN2CCN(/C(O)=N/C[C@@H]3CN(C)CCN3C)CC2)C1 329614102 CWJCWBZMKIMNHP-RTBURBONSA-N 396.580 -0.127 30 10 GBEE CC1(C)[C@@H](O)CCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349610800 KPQNLAQXXAKKCC-LBPRGKRZSA-N 379.504 -0.083 30 10 GBEE Cn1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c1=O 586861928 DPTOKONDTFVEEA-UHFFFAOYSA-N 398.398 -0.244 30 10 GBEE N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)cc1F 599892761 JSSMBWWYUJWTQG-UHFFFAOYSA-N 388.403 -0.195 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 658443190 HTXDIBQHIADYBE-UHFFFAOYSA-N 380.489 -0.148 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)nc2OC)CC1 674195304 QVLUWVQURDYNBT-UHFFFAOYSA-N 391.428 -0.516 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](CO)C2)c1 848953332 CLNMAWPLIVFTKK-CQSZACIVSA-N 397.478 -0.163 30 10 GBEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c3c(nn2C)CCC3)c(=O)n1CC 901568317 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1682510800 FSGOZZQDKYXZGT-FPCVCCKLSA-N 379.413 -0.221 30 10 GBEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[C@@H]1NC(=O)NC1=O 1686037640 XIEBIJNIIWUZKR-RFGFWPKPSA-N 378.429 -0.185 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2nncn2CC)CC1 1690130479 HCLWXGMEVLYEOS-UHFFFAOYSA-N 397.487 -0.185 30 10 GBEE Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726384715 JOMYIBYPHHECHL-TZFAWSOVSA-N 394.457 -0.264 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@H](C)NC(N)=O)nn1 1740355765 KWHOVJGLWMIUNQ-SFTQSGBHSA-N 375.433 -0.227 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749669723 JQNTXXGJGVCXJE-GJZGRUSLSA-N 398.471 -0.292 30 10 GBEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749735378 RLXSRYMZTFGMNX-MELADBBJSA-N 384.458 -0.056 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)CC(=O)NCCC#N)C(=O)O 2074768106 MYCKVRBBCHECCP-JTQLQIEISA-N 377.419 -0.201 30 10 GBEE Cc1ccc(C(=O)NCCNS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282099151 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10 GBEE COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c1 515073525 SKUARIWQIRUULG-UHFFFAOYSA-N 394.453 -0.191 30 10 GBEE Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 567060324 VLMRFJKZEVPMOI-UHFFFAOYSA-N 384.396 -0.861 30 10 GBEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)C1 834511401 LEJHMTJHBLWRJU-BFHYXJOUSA-N 381.458 -0.080 30 10 GBEE CON(C)C[C@@H](O)Cn1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cn1 1137576581 VBYJVGSFCBPSFN-MRXNPFEDSA-N 386.412 -0.023 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1286788277 TUXOZUDSVQBHKE-CYBMUJFWSA-N 385.490 -0.045 30 10 GBEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1301297244 ODKQWQZRTQHBDR-LLVKDONJSA-N 377.492 -0.648 30 10 GBEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCOC1 1316212093 VQRRERCTHVWHKK-JKIFEVAISA-N 381.433 -0.118 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1321669640 GAAXEZSFHCNEJH-ZDUSSCGKSA-N 380.422 -0.334 30 10 GBEE N#C[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1328339341 KHAYLAHWVMIUED-NEPJUHHUSA-N 379.394 -0.376 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1328624997 WIBHVONHVYIIRW-RBUKOAKNSA-N 384.480 -0.221 30 10 GBEE CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1332355399 GAQOPGAMDFZTSQ-GOSISDBHSA-N 391.449 -0.067 30 10 GBEE C#CCN(c1nnc(CCCN2CCCC2=O)n1C)[C@@H]1CCS(=O)(=O)C1 1339854738 LIQYQQQRBQDBRJ-CQSZACIVSA-N 379.486 -0.003 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1358949000 QKTSLKRZZNBRKD-OAHLLOKOSA-N 381.502 -0.028 30 10 GBEE CCOC(=O)[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC12COC2 1455487426 YHCGNLFYZGMDRF-IUDBQGPFSA-N 377.397 -0.059 30 10 GBEE N#Cc1cn(CCC(=O)NCCNC(=O)Cc2cccc(F)c2)c(=O)nc1O 1464738891 LXNVVBIEFKFJRG-UHFFFAOYSA-N 387.371 -0.175 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508047323 BOBGVBOCQYMNRW-AAEUAGOBSA-N 386.478 -0.584 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 1558073770 ZBLPGIMWWLXRQZ-UHFFFAOYSA-N 388.453 -0.199 30 10 GBEE Cc1c([C@@H]2[C@@H](CNc3c(C#N)c(=O)n(C)c(=O)n3C)CC(=O)N2C)cnn1C 1615286155 BIPKPDASTUTQLN-ABAIWWIYSA-N 385.428 -0.371 30 10 GBEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1619912205 VGUSADIQUKLJDZ-OLZOCXBDSA-N 375.433 -0.126 30 10 GBEE CCN(CCC#N)C(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1672100048 OLEDIDVFRXYRKJ-NMNMXBMNSA-N 376.457 -0.665 30 10 GBEE N#C[C@@]12CN(C(=O)NCC[S@](=O)CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1682656779 JXIJHHRPIJSUOR-XNTZJVAYSA-N 387.405 -0.123 30 10 GBEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(S(C)(=O)=O)CC3)C2=O)CC1=O 1857363677 WGJCQLRPGHHIBD-UKRRQHHQSA-N 397.497 -0.343 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CNOC2)OC1(C)C 2255795910 ZHDISVUEJPUFSW-SECBINFHSA-N 375.281 -0.235 30 10 GBEE CNC(=O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2255932592 CZEXSQOZXNZOHO-UHFFFAOYSA-N 375.281 -0.392 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NCC(N)(CO)CO)OC1(C)C 2270666147 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30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCn2ccnc21 349572727 KUCGGEUDSHAZKV-NWDGAFQWSA-N 375.476 -0.189 30 10 GBEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410151838 SEDJUWAYVIKAQI-HOCLYGCPSA-N 399.517 -0.480 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)n2)cc1 504469049 KOLWRKKBBWKZEV-UHFFFAOYSA-N 393.407 -0.030 30 10 GBEE CN(CCC#N)C(=O)C[S@](=O)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 586314875 RTXJQRAXEAZKEK-XMMPIXPASA-N 386.455 -0.607 30 10 GBEE C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@@H]1CN(C)CCO1 589139058 MZMFMJURQPPGNA-ZBFHGGJFSA-N 386.456 -0.563 30 10 GBEE N#Cc1sccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 593528098 ZASWQYRAOJLKNA-UHFFFAOYSA-N 384.483 -0.215 30 10 GBEE C=CCn1c([C@@H]2C[C@H]3CC[C@H]2O3)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 652560453 LSAIEGVSGGSYHQ-RBSFLKMASA-N 399.459 -0.166 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)C1=O 726042275 GEEYCGDMGMWIEX-UHFFFAOYSA-N 389.320 -0.126 30 10 GBEE C#CCN1CCN(C(=O)CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 748818276 WZYYFMXHWSTTFT-SFHVURJKSA-N 389.544 -0.171 30 10 GBEE CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 805618904 QBKZJRQEXZLURB-AREMUKBSSA-N 380.474 -0.866 30 10 GBEE C#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 839194749 FKNIJLHCLKEJLL-HNNXBMFYSA-N 396.469 -0.542 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CN3CCOC3=O)C2)c1=O 840096329 RXAIHHGVLAUMEA-AWEZNQCLSA-N 391.428 -0.725 30 10 GBEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2(n3cnnn3)CCOCC2)cc1 850735055 NHTNOWSIAMULRI-UHFFFAOYSA-N 376.398 -0.303 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(CN(C)C)CC2)CC1 893786750 FKXHQHHGTTWPMR-UHFFFAOYSA-N 385.534 -0.098 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2Cc3cccc(O)c3C2)CC1 1226261510 FEGNDQKBMGAYKW-AWEZNQCLSA-N 378.454 -0.346 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N2CCOCC2)CC1 1286479303 GTKOXTFSFHNJKQ-INIZCTEOSA-N 388.472 -0.604 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)C1=O 1304455685 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388.424 -0.139 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(O)c(OC)c2)CC1 1631914200 ZEFKHUFZGRUFQB-UHFFFAOYSA-N 396.469 -0.262 30 10 GBEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1748969258 RSKQWPPROPCJEE-LJQANCHMSA-N 390.488 -0.447 30 10 GBEE CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C[C@H]1C#N 1892758198 CAPXTKSLZMCZMR-OLZOCXBDSA-N 386.474 -0.313 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NCCS(N)(=O)=O)s2)OC1(C)C 2255753674 VDYOFKODDLKOKE-UHFFFAOYSA-N 396.321 -0.386 30 10 GBEE C[C@@H](CS(N)(=O)=O)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255808525 KOFRMTWSJWVVDE-QMMMGPOBSA-N 375.281 -0.151 30 10 GBEE CC[C@H]1CNCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282305253 WFFMJOQEERCTJP-NSHDSACASA-N 385.299 -0.513 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CNC(=O)O1 2282336569 FYCCDECMLCVVAB-VIFPVBQESA-N 386.239 -0.894 30 10 GBEE C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282342283 FPRAOYOCFQLUDM-WCQYABFASA-N 384.311 -0.052 30 10 GBEE COC[C@H](CCO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282346860 YULUYYSHGMWSAA-NSHDSACASA-N 389.283 -0.605 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3COC[C@H]3CN)c2)OC1(C)C 2282352590 AYPXRKXCBJZDNU-BXUZGUMPSA-N 383.279 -0.367 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)C(F)(F)F 2282852720 STMMFDFIBPFJJB-QMMMGPOBSA-N 399.200 -0.079 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]2[C@@H]1C[C@H]2O 2282859898 RSSTUNZVAPIVTI-SDDRHHMPSA-N 383.279 -0.137 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCCc3nn[nH]n3)c2)OC1(C)C 2282863782 WKQBVCKSLLKKEX-UHFFFAOYSA-N 380.239 -0.585 30 10 GBEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C1(CO)CC1 2282868602 PNKPVVKFMAISEI-SNVBAGLBSA-N 386.283 -0.446 30 10 GBEE C#CC(CO)(CO)N[C@@]1(C(=O)O)CCCOC12CN(C(=O)OC(C)(C)C)C2 2377341111 ZDOZQXGCVNVMBW-GOSISDBHSA-N 384.429 -0.444 30 10 GBEE NC(=O)c1cnn2c1C[C@@H](C/N=C(/N)N1CCN(c3ncccn3)CC1)CC2 261993223 YQNYACWIOYXWIE-ZDUSSCGKSA-N 383.460 -0.529 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)C1=O 278297598 GNQJSSWGDRKWIJ-CYBMUJFWSA-N 388.428 -0.210 30 10 GBEE N#C[C@@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N1CC(CO)C1 349607306 YZHFZCBAKHQYNT-CYBMUJFWSA-N 397.544 -0.709 30 10 GBEE CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2cccc(C#N)n2)CC1 546198576 YAKJWBSUZOPSJH-UHFFFAOYSA-N 395.485 -0.054 30 10 GBEE Cc1cc(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)ncc1C#N 580210461 VPDOFUOMIFXFRU-UHFFFAOYSA-N 381.396 -0.357 30 10 GBEE C#CCN(C(=O)CCCS(=O)(=O)N1CCCC1)[C@H]1CCS(=O)(=O)C1 729335681 TYIPMEZMKPIFCE-AWEZNQCLSA-N 376.500 -0.159 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 834711005 IHEQRLZQSSAIFY-CQSZACIVSA-N 387.527 -0.257 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC2(C)OCCO2)c1 848957090 WTQDTHZYAZKHHX-UHFFFAOYSA-N 389.455 -0.128 30 10 GBEE C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CCOCC1 852648283 JYMUSHWSWLKTAH-MRXNPFEDSA-N 392.456 -0.873 30 10 GBEE C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 854765714 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCC(=O)NCC)C1 1739657571 QTMBXSKMCHNOSP-KRXQYRFLSA-N 381.473 -0.038 30 10 GBEE C#CCN(C(=O)[C@@H]1CNC(=O)N1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759990260 RJVTZBCNCGOJDL-DZTUFKMZSA-N 386.452 -0.456 30 10 GBEE C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1763266511 FMHKEEVOSQIYCW-PMUMKWKESA-N 390.444 -0.217 30 10 GBEE CN1CC[C@](O)(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1769063853 RYQACYWQKJTYBY-RLFYNMQTSA-N 376.461 -0.033 30 10 GBEE Cc1ccc(C(N)=NOCCC(=O)N(C)CC(=O)N2CCN(C)CC2)n1C 1853427494 BHTZMGSNVMUQRJ-UHFFFAOYSA-N 378.477 -0.407 30 10 GBEE N#CCC(=O)N1CCCC[C@@H](N2CCN(S(=O)(=O)N3CCCC3)CC2)C1=O 1855312256 OSZLFEZGQHIPLB-OAHLLOKOSA-N 397.501 -0.234 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1=O 1857143699 JTITYLGYUVCHQP-INIZCTEOSA-N 394.439 -0.428 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(F)(F)CO 2267375689 KQCGDVASKMOBQD-UHFFFAOYSA-N 381.210 -0.375 30 10 GBEE CC[C@@H](CCO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282296267 XUNCBLRRFJJUMP-NSHDSACASA-N 388.299 -0.199 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 2282327185 DQYJMEORIUTSKW-HBNTYKKESA-N 384.267 -0.430 30 10 GBEE CN([C@H]1[C@@H]2CNC[C@@H]21)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282336474 DSMKLLFKCOGDEY-YABSGUDNSA-N 382.295 -0.442 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1NC[C@@H]2C[C@@H]21 2282338056 KWOGJFAYKKGYEM-SRVKXCTJSA-N 382.295 -0.395 30 10 GBEE C[C@H]1CCN[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339722 WRBAXCKUGCJFBH-RYUDHWBXSA-N 384.311 -0.004 30 10 GBEE CNC(=O)C1(NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282846679 MVPYHBVKANMFKV-UHFFFAOYSA-N 384.267 -0.724 30 10 GBEE C[C@H]1C[C@@]1(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284414361 GWBKMPNLGQYHOG-VFZGTOFNSA-N 385.251 -0.139 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H]1C(=O)O 2284416313 WOPIHOZTBFDHFR-NSHDSACASA-N 385.251 -0.043 30 10 GBEE C[C@@H](C#N)N1CCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2335436350 VFGBGDAVUHJMLJ-STQMWFEESA-N 388.490 -0.019 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 33233795 HNHIHEKJAGCISK-UHFFFAOYSA-N 394.497 -0.003 30 10 GBEE CCCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3N[C@@H]3CN21 104931040 QBTFMPCRSRFRMU-QXMCRVDTSA-N 377.397 -0.183 30 10 GBEE C[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CCN1C(=O)[C@H](O)CO 204897250 LOARUYBRKCATAQ-TZMCWYRMSA-N 392.265 -0.834 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)C1=O 268680673 LAGHPNYHVQWINR-QWHCGFSZSA-N 391.380 -0.093 30 10 GBEE CCNC(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 290527424 OFTGUESPMZYSRM-ZDUSSCGKSA-N 379.442 -0.243 30 10 GBEE COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCO1 460717231 FQKPNWVSQIIKIZ-CQSZACIVSA-N 398.379 -0.132 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 491157345 WPNKITFGSUNWPW-UHFFFAOYSA-N 388.424 -0.157 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC(CN2CCOCC2)C1)c1cc[nH]n1 854589416 NCOTUZYZGFNFBD-UHFFFAOYSA-N 379.417 -0.516 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1116905767 ANAYYNGZUJXGCJ-CQSZACIVSA-N 381.454 -0.087 30 10 GBEE CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1=O 1118634288 BZFPFDPLGUFFDJ-MRXNPFEDSA-N 397.435 -0.534 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1)C1CCN(C)CC1 1120500046 JBOAZQPLGBITJJ-AEFFLSMTSA-N 395.500 -0.585 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H]1CN(C)CCN1C)c1cc[nH]n1 1136874315 LCJOFHOMHOTWBU-TZMCWYRMSA-N 380.449 -0.556 30 10 GBEE CC[C@@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@@H](C)O1 1261805396 IDETZEIMXAEJTJ-ZWNOBZJWSA-N 375.385 -0.770 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 1302921441 DKJVHBBKOQANHH-UHFFFAOYSA-N 391.453 -0.558 30 10 GBEE C#CCN(C(=O)C(=O)NCC1CCN(CC2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1330755071 KFTRYONZCLHVAR-QGZVFWFLSA-N 395.525 -0.127 30 10 GBEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 1332940957 HGPWKWISUPNGFM-WKILWMFISA-N 399.513 -0.195 30 10 GBEE C=C(C)Cn1c(CCO)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1341879704 SQLPALJUQWIPLA-UHFFFAOYSA-N 378.477 -0.630 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1505326012 WAOKFANXRWZFFM-WOSRLPQWSA-N 397.457 -0.592 30 10 GBEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1539408857 FULYNJQXOJZMML-UHFFFAOYSA-N 379.446 -0.630 30 10 GBEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCO[C@@](C)(C#N)C3)c(CCO)c2=O)n1 1558602526 UHDUAHPQYCNJLM-SFHVURJKSA-N 386.412 -0.138 30 10 GBEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1 1593696499 RGSTYBVYQJSGMN-GFCCVEGCSA-N 386.478 -0.583 30 10 GBEE C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OC 1638827120 RFQMFGLAFIHDER-RISCZKNCSA-N 393.421 -0.632 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CC(=O)c2cc(C(=O)OC)[nH]c2C)CC1 1642589342 HBFZIPZLJAZIDG-UHFFFAOYSA-N 382.442 -0.622 30 10 GBEE Cn1c(=O)[nH]c(N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c1=O 1651514669 FJYRJRFOTPEGRP-UHFFFAOYSA-N 390.444 -0.313 30 10 GBEE Cc1c(C#N)c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c(=O)n1CCO 1656828464 OXWMMOXUYRDYMX-UHFFFAOYSA-N 382.376 -0.131 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 1663863932 LDVHTJLTORAOBL-UHFFFAOYSA-N 394.456 -0.570 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnn2[C@@H]2CCOC2)CC1 1664864191 HXYGLGBINSSSMT-CYBMUJFWSA-N 382.446 -0.538 30 10 GBEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705564989 DUBIGNQYWQBRSD-UONOGXRCSA-N 395.485 -0.108 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncnn1C 1736472448 MXSBCKGYFVXSAR-COJSNBRMSA-N 377.445 -0.093 30 10 GBEE C=CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689090 RAHBXFWHTFWNKK-UHFFFAOYSA-N 390.444 -0.135 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714397 URCMLPGBGGACOP-ZDCRXTMVSA-N 392.474 -0.005 30 10 GBEE 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CC(C)(C)OC(=O)NCc1cn(CCNS(=O)(=O)N2CC(C#N)C2)nn1 2271504039 YJPHCSWGRDWJTN-UHFFFAOYSA-N 385.450 -0.407 30 10 GBEE CC1(C)OB(c2cnc(C(=O)NCC(O)(CO)CO)c(Cl)c2)OC1(C)C 2282002414 NVRHREYGAFTEMR-UHFFFAOYSA-N 386.641 -0.520 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=c1nc(CCN)[nH]s1 2282026889 JJBFBYOKOKCKLL-UHFFFAOYSA-N 378.267 -0.254 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282045999 FUQZVRVQVUZIMD-PWSUYJOCSA-N 383.279 -0.118 30 10 GBEE CN1[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCS1(=O)=O 2282062311 WNLCDUAOLPDTFI-JTQLQIEISA-N 384.267 -0.527 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H](O)C1(C)C 2282304376 JXKJTUNDJYTCMO-ZJUUUORDSA-N 386.283 -0.448 30 10 GBEE CO[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C[C@H]1F 2282304717 OGEAKCQLSMUBJT-NXEZZACHSA-N 390.246 -0.528 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC2(CNC2)C1 2282317109 MPDOAANFVHTIHI-UHFFFAOYSA-N 383.283 -0.855 30 10 GBEE 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30 10 GBEE Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(N(C)C)nn1 595005292 BIQRLMZHSSWUHL-UHFFFAOYSA-N 389.460 -0.136 30 10 GBEE C#CCC[C@H](O)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 807074504 RYWWTPOMUVSWMW-PMPSAXMXSA-N 399.447 -0.088 30 10 GBEE C#CC1(O)CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 931142297 ALEHTADFGYGZGE-HZPDHXFCSA-N 384.498 -0.359 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1297517799 VEVBXROCLJWPGW-UHFFFAOYSA-N 398.471 -0.528 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[C@H]1CCS(=O)(=O)C1 1321625849 QWRAWQPAFAEZEV-HNNXBMFYSA-N 387.421 -0.145 30 10 GBEE C#CC1CCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 1329858070 FOANCZZECHLNHB-IBGZPJMESA-N 377.441 -0.666 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 1330453223 MEMRXNQAJHOCEC-OAHLLOKOSA-N 384.502 -0.411 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC(CO[C@H]3CCNC3)CC2)C1=O 1335378297 DQORBSRJSLTCPK-IRXDYDNUSA-N 392.500 -0.151 30 10 GBEE 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C[C@@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1(O)CNC1 2282350293 KSZZFFRBDYBREQ-GFCCVEGCSA-N 382.291 -0.013 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2CC[C@]2(N)C1 2282352321 MXYCNNPGQLYEJX-ZBEGNZNMSA-N 382.295 -0.169 30 10 GBEE CN(CCCS(C)(=O)=O)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282695740 SJFVFEVCMULJEG-UHFFFAOYSA-N 386.283 -0.379 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@@H](O)[C@H]3C2)n1 2282839676 HMIZXGMFQBSYCL-GMXVVIOVSA-N 383.279 -0.279 30 10 GBEE Cn1cnc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)c1 2282849439 BJOHTYRHZKVFJP-UHFFFAOYSA-N 381.267 -0.069 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCOCC(N)=O)OC1(C)C 2282862170 ZHZRHLXBJWIWBO-UHFFFAOYSA-N 384.263 -0.234 30 10 GBEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342055841 HOQYPIAQNQWNMB-RDBSUJKOSA-N 388.486 -0.109 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2342881799 OLNWRKOMSMXDIY-YNEHKIRRSA-N 386.474 -0.267 30 10 GBEE 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C#CCN(C(=O)NCc1ncccc1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1320915694 ICNQQGDYUKOIBP-GFCCVEGCSA-N 385.467 -0.183 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1(F)F 1335058907 NRFLYRWELAZKAM-VIFPVBQESA-N 381.339 -0.292 30 10 GBEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C#N 1338143920 DZFSMXFIMVYCON-AWEZNQCLSA-N 394.453 -0.277 30 10 GBEE C#CCN(C(=O)C(=O)NCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1340260967 NWYADHSCWHTXCE-INIZCTEOSA-N 383.514 -0.127 30 10 GBEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1358964123 UGWQKTUQDUZGBX-KGLIPLIRSA-N 395.485 -0.455 30 10 GBEE COC(=O)[C@]1(O)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1455195512 ZRXQQPUGCDICFN-DIFFPNOSSA-N 395.437 -0.360 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(OCCO)c2)CC1 1476901671 PWISPIIBHWDDNF-UHFFFAOYSA-N 383.430 -0.930 30 10 GBEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1539094015 IZYWHDFRRAYOSL-LSDHHAIUSA-N 396.517 -0.178 30 10 GBEE 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378.383 -0.032 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1760522256 PAIIOKNDNCCPTL-IHRRRGAJSA-N 395.485 -0.150 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1772566566 HEZHFTAWUVVWDN-JSGCOSHPSA-N 389.460 -0.412 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccn(C)c(=O)c3)[C@@H](C)C2=O)CC1=O 1856416306 YHQHMRJYLWCMQM-HOCLYGCPSA-N 386.452 -0.021 30 10 GBEE N#CCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)CC[C@H]3CCCO3)C(=O)C2)C1 1856830057 KWAFGNGMFUVJRM-HUUCEWRRSA-N 398.485 -0.456 30 10 GBEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)CC1 1889110075 AKIICRQOWYUUAT-KRWDZBQOSA-N 376.501 -0.277 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N1CCN(CCC#N)CC1 2184062451 UXFPPTBNNTWVEQ-SOUVJXGZSA-N 382.461 -0.225 30 10 GBEE Cc1nc(=NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)s[nH]1 2267358023 WLJRDIVMBCVQCI-UHFFFAOYSA-N 386.268 -0.503 30 10 GBEE C#CCOC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282333815 SXNBJWXLUVQSCW-UHFFFAOYSA-N 381.263 -0.258 30 10 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CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@@H]12 595185083 MNIHLYUUZIFSBC-YUTCNCBUSA-N 381.385 -0.094 30 10 GBEE CNCCOCCN(C)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 600798389 RYXTWRBCXVZEHG-OAHLLOKOSA-N 375.429 -0.373 30 10 GBEE COC(=O)CCN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 775575169 GUQWWLCDBLYJHO-OYLHUBKDSA-N 378.429 -0.001 30 10 GBEE C=C1[C@@H](C(=O)N2CCCN(C(C)=O)CC2)[C@H]1C(=O)N1CCCN(C(C)=O)CC1 900037125 FTAWRRRPZWJUCZ-HDICACEKSA-N 390.484 -0.050 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)NCCS(=O)(=O)CC(F)(F)F)nn1 1261719342 DAAGEWGUBSCEPS-UHFFFAOYSA-N 383.352 -0.826 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCNC(=O)COC)[C@@H]2C1 1289810542 OQQGXGXZQVMFCH-FPCVCCKLSA-N 379.457 -0.211 30 10 GBEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCCOC)CC1 1301452919 XKNPVVJIJDXEIT-CQSZACIVSA-N 391.476 -0.700 30 10 GBEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1302837028 RBSCPVADIYPCKT-IUDBQGPFSA-N 376.413 -0.608 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C[C@H](C)O1 1326532472 JRBSURWRUNHOQO-RCBQFDQVSA-N 389.408 -0.161 30 10 GBEE N#CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 1349215380 VCNJDIODEQBQEI-LJQANCHMSA-N 399.495 -0.108 30 10 GBEE C[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C(=O)c1cscn1 1450906735 MAAZOEVQCVJGSB-JTQLQIEISA-N 388.409 -0.350 30 10 GBEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1540201074 MJKBFQCELKEZPO-CYBMUJFWSA-N 395.489 -0.004 30 10 GBEE C#CC[C@H](CO)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1563504773 HCTYLVMEHYLREU-OAHLLOKOSA-N 381.454 -0.109 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNS(C)(=O)=O 1587989583 KSGBTNXGBWNPJT-GFCCVEGCSA-N 389.503 -0.811 30 10 GBEE N#Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1 1642373181 GJPIYVROTUFYQX-LSDHHAIUSA-N 377.422 -0.297 30 10 GBEE N#C[C@@]12CN(C(=O)Cc3csc(N4CCOCC4)n3)C[C@H]1CS(=O)(=O)C2 1645269660 AKMVXXPRNUOHPY-LRDDRELGSA-N 396.494 -0.081 30 10 GBEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1667138303 LLQPCIANECZSSU-UHFFFAOYSA-N 395.437 -0.072 30 10 GBEE C#CCNC(=O)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1702598285 GIIVGYOJGUYOON-WCVJEAGWSA-N 390.484 -0.229 30 10 GBEE C=CCCOCC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](c2cnn(C)c2)C1 1719479112 NAQCALUCZDEKJN-FXUDXRNXSA-N 389.456 -0.455 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1 1722698537 HDCDNNDOOYNBAN-ZDUSSCGKSA-N 377.449 -0.454 30 10 GBEE C=CCN1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2CCOC)CC1 1850905513 HARBFWGUVFYPNN-UHFFFAOYSA-N 389.456 -0.371 30 10 GBEE C=CCN([C@H]1CCN(C(=O)c2cn(C)nc2OC)C1=O)[C@@H]1CCN(C)C1=O 1854240864 HOOYCMFGCGSHQS-KGLIPLIRSA-N 375.429 -0.112 30 10 GBEE Cc1ccc(=O)n([C@H](C)C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)n1 1855019074 IDSOHFZNFLXXLP-HZPDHXFCSA-N 386.456 -0.229 30 10 GBEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(CCO)CC2)cc1=O 1870560369 SHJZWRGCJCTFLD-UHFFFAOYSA-N 385.468 -0.064 30 10 GBEE 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2282855141 ZWLMQITXQCBXRO-UHFFFAOYSA-N 388.255 -0.646 30 10 GBEE CNC(=O)C(C)(C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282864335 DQWBRSNULXZFOI-UHFFFAOYSA-N 386.283 -0.478 30 10 GBEE COC[C@H](O)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282866233 GHRBTSVXMWBXBJ-LLVKDONJSA-N 389.283 -0.687 30 10 GBEE COC(=O)C1(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2283573845 LLIGLADZBGCSNS-UHFFFAOYSA-N 386.239 -0.902 30 10 GBEE CC1(C)OB(c2nc(=NC(=O)[C@H]3CCCN(C(N)=O)C3)s[nH]2)OC1(C)C 2283935316 DSPASFPQXHPXBW-VIFPVBQESA-N 381.267 -0.012 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1C[C@@H]1C(=O)O 2284408870 ZYJHCXMATYRHML-ZJUUUORDSA-N 385.251 -0.282 30 10 GBEE C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(Cc2ccon2)CC1 261745800 LFVIFJMMAWQASJ-AWEZNQCLSA-N 384.506 -0.351 30 10 GBEE C[C@H](/N=C(/O)Cn1cnc2ccccc2c1=O)C(=O)N1CCS(=O)(=O)CC1 329177001 MRDMFYOSLXAXJB-LBPRGKRZSA-N 392.437 -0.002 30 10 GBEE CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 502271834 SCNPDXZZOASEOM-JKSUJKDBSA-N 387.440 -0.088 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@]2(OCCO)CCOC2)cc1 597994744 KRXDXXOMTSHLOC-MRXNPFEDSA-N 383.426 -0.879 30 10 GBEE C#CCN(CC(=O)NC[C@H]1COC(C)(C)O1)CC(=O)NC[C@@H]1COC(C)(C)O1 820862577 VISACLOZGSDBOB-GASCZTMLSA-N 397.472 -0.543 30 10 GBEE C#CCN(CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 823100274 BDVZTHQFTIDBRI-YRXWBPOGSA-N 387.528 -0.753 30 10 GBEE CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CCO1 861997665 OWFYQRSVWXHBDA-LBPRGKRZSA-N 393.375 -0.177 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 862194249 HOGVQXMWHOBVBC-CQSZACIVSA-N 397.453 -0.296 30 10 GBEE C#CC[C@@H](CO)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1215223352 FSAJOIXNLYSJCF-AWEZNQCLSA-N 381.458 -0.331 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@]1(C(F)(F)F)CCCN1)[C@@H]1CCS(=O)(=O)C1 1262550692 ALOLBVHOBNPXTC-BXUZGUMPSA-N 395.403 -0.564 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nnn(C)n2)CC1 1286494037 IXTPEDMPXKAXFL-CQSZACIVSA-N 399.459 -0.333 30 10 GBEE N#Cc1c(CCCNC(=O)CN2CCNC(=O)C2)nn(-c2ccc(F)cc2)c1N 1290814829 NWWKWXJBWQSBPE-UHFFFAOYSA-N 399.430 -0.054 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1302837029 RBSCPVADIYPCKT-KXEGMRRWSA-N 376.413 -0.608 30 10 GBEE N#CCc1ccc(CNC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1326516980 FCLRLQYOVHXQNG-SFHVURJKSA-N 391.449 -0.215 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@]2(C)CNC[C@]2(C)C1 1351682366 DVYMOHSPGSBPID-XMCHAPAWSA-N 397.483 -0.157 30 10 GBEE C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 1522135338 UEMNMOWNPRGKGY-QZNHQWIBSA-N 378.473 -0.664 30 10 GBEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)CC 1540047301 GIDHPJQPISWYGW-NSHDSACASA-N 379.508 -0.055 30 10 GBEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCn2cnnn2)C1 1555987108 YANYLKWYVYXUET-INIZCTEOSA-N 388.411 -0.081 30 10 GBEE N#Cc1cn(C2CN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)c(=O)nc1O 1558805528 PHLMNCGIQBOQAY-LLVKDONJSA-N 384.439 -0.876 30 10 GBEE C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560168735 RNUWZCUYMDPWGM-ZUCKAHLUSA-N 376.438 -0.017 30 10 GBEE O=C1C=COC2(CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)C1 1598208124 HNXLUIDNNRAOJE-UONOGXRCSA-N 396.465 -0.114 30 10 GBEE C#CC1(O)CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1633558967 AZKBZOLYPHQOOC-AWEZNQCLSA-N 386.857 -0.034 30 10 GBEE CN(CC(=O)NCC#N)C[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1661221618 YPQZVOYGBWVRMZ-MUQADHOPSA-N 378.473 -0.152 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1686214555 HASJXLXPSLQUBV-DGAVXFQQSA-N 378.429 -0.280 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)F 1740599614 DCTZAORGNVXUQR-SECBINFHSA-N 378.405 -0.661 30 10 GBEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 1740782908 XPMXYCIZBBJIJN-GFCCVEGCSA-N 384.462 -0.877 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[S@](=O)CC)CC1 1748994778 QRWBZKMGPFWBQB-HHHXNRCGSA-N 392.529 -0.076 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCN(c2cccnn2)CC1)c1cc[nH]n1 1772930313 GWXCPZJMRMLLRQ-UHFFFAOYSA-N 387.400 -0.168 30 10 GBEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCN(C)CC1 1870355175 LDPVTNUUYCKGJU-UHFFFAOYSA-N 378.473 -0.341 30 10 GBEE C[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267709545 DIKGNKMLCAFGJC-VKTRGTBVSA-N 391.324 -0.235 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CNC[C@@H]2O)OC1(C)C 2267722746 YKBBVZBGWIIEJF-JQWIXIFHSA-N 388.320 -0.094 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H](O)C[C@H](F)C2)n1 2282831645 BXJGNOBWJCKHGK-QWRGUYRKSA-N 389.258 -0.187 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@@H]3NCC[C@H]32)n1 2282845042 MGVCYNBXSKHUCI-KGYLQXTDSA-N 382.295 -0.252 30 10 GBEE C#CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(=O)O 2284396906 ZNLVVTBGVLFVMN-JTQLQIEISA-N 383.235 -0.526 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CCOC[C@@]2(CN)CO)OC1(C)C 2362494088 MLBIRRMXEKMTAO-MRXNPFEDSA-N 383.279 -0.396 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cnc21 194566855 ZLUGTESUQUOFIL-UHFFFAOYSA-N 378.396 -0.255 30 10 GBEE CC1(C)OB(c2cnc(NC[C@H]3CCCN3C(=O)[C@H](O)CO)nc2)OC1(C)C 204884000 CJHCQVUGUCWZGC-ZIAGYGMSSA-N 392.265 -0.468 30 10 GBEE CC(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 297791195 JLOYTZQJTLNRNP-UHFFFAOYSA-N 398.467 -0.071 30 10 GBEE C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)CC(=O)N1C 349623852 TWWMYPJOQZLRFC-LBPRGKRZSA-N 392.503 -0.766 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1C1CC1 363239796 BSNPRJJCHRDWOV-CYBMUJFWSA-N 377.426 -0.529 30 10 GBEE Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 541669970 JEXBKPWWPGHYKX-UHFFFAOYSA-N 399.451 -0.192 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCCCC#N)CC2)CC1 594430031 ZFEDUXKBUCRXIK-OAHLLOKOSA-N 386.522 -0.966 30 10 GBEE C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N)C(C)(C)O 594637545 QMLJNDHXISTXKN-NEPJUHHUSA-N 399.560 -0.274 30 10 GBEE N#CC1(C[C@@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)CCOCC1 599264490 NOTZWIQGQRFYQE-MRXNPFEDSA-N 378.473 -0.176 30 10 GBEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 810646581 RCABAOJPXPFHHX-GFCCVEGCSA-N 388.442 -0.247 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C)[C@@H]1CCS(=O)(=O)C1 1117046766 DWMDMDFRHVVGMZ-TZMCWYRMSA-N 378.454 -0.437 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1120412193 HOPKSTXCDIPUJL-KXBFYZLASA-N 377.441 -0.523 30 10 GBEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1286790282 PPYKQAGSVGQUDH-UHFFFAOYSA-N 389.504 -0.209 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@H](C2CCOCC2)C1 1322692780 GFFDFKPPRPEBTC-VUAZUDAXSA-N 390.440 -0.096 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cc(C(=O)OC)c(C)o1)[C@H]1CCS(=O)(=O)C1 1327656946 ZWNFROZTOCPNGS-LBPRGKRZSA-N 396.421 -0.360 30 10 GBEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@]2(CCOC2)C1 1342047259 TYLCASUDHVUJLF-GOSISDBHSA-N 388.428 -0.476 30 10 GBEE C#CC1(O)CCN(C(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)CC1 1470364578 DNRCCRMMDZRITK-UHFFFAOYSA-N 385.424 -0.292 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1OC 1489523354 CEIKOWKHBQJILS-HWMZRRJGSA-N 379.457 -0.164 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 1507601753 UJCKBPLMSHZNEI-CABCVRRESA-N 398.533 -0.074 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnnn1 1507689294 JNVYRJQVXFIDHA-CYBMUJFWSA-N 378.462 -0.284 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)N(C)C)s1 1556862288 ZQDQOWIEUCMISG-UHFFFAOYSA-N 395.528 -0.238 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)CC1 1595467040 PNPPMGPGZLZLES-UHFFFAOYSA-N 393.448 -0.393 30 10 GBEE COCCOCCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1631730245 MLNPITRLVZTBLZ-UHFFFAOYSA-N 379.417 -0.982 30 10 GBEE C#C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1638612689 MAYRXUOYGRYHHN-GFCCVEGCSA-N 399.494 -0.127 30 10 GBEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1639821320 CVYACQYBFSUMLP-BLLLJJGKSA-N 399.469 -0.245 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2noc3c2COCC3)CC1 1685463562 QDEFPCSMYPUBKA-UHFFFAOYSA-N 383.430 -0.958 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1736569414 YVUUIAPNELJRHD-KFWWJZLASA-N 377.445 -0.187 30 10 GBEE C=C[C@@H](CO)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2244226120 QZTIMPSRMBXDNT-KBPBESRZSA-N 386.426 -0.079 30 10 GBEE Cc1cc(C(=O)NCCNS(N)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2267237774 TZQIJAMLNBANFC-UHFFFAOYSA-N 389.308 -0.121 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)OC1(C)C 2281927325 YGBKDTIXYSVOFN-JQWIXIFHSA-N 381.263 -0.032 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N=[S@](C)(=O)N2CCNCC2)OC1(C)C 2282053569 WBBWDYXWIZVTIW-SANMLTNESA-N 383.283 -0.233 30 10 GBEE CCC[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282492940 UJMHUIRMESVVHW-LLVKDONJSA-N 386.283 -0.348 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)O 2284401643 JGKDQLUDBLJKIP-JTQLQIEISA-N 385.251 -0.043 30 10 GBEE CO[C@H](CN)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2339944020 QYMJOFCTHYXAHG-SNVBAGLBSA-N 391.324 -0.165 30 10 GBEE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@]1(C#N)CCOC1 349469620 WZEKCUZEAIQSNW-MCIONIFRSA-N 395.503 -0.894 30 10 GBEE N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1C1CC1 369218294 HHUKLPUNAMUJAE-CQSZACIVSA-N 387.531 -0.253 30 10 GBEE CN(CCCNC(=O)CN1CCN(c2cccc(C#N)n2)CC1)S(C)(=O)=O 546210473 SIICZTMVGJAVGY-UHFFFAOYSA-N 394.501 -0.527 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cn3ccccc3n2)CC1 562775270 QNQYVPBGUVDZPQ-UHFFFAOYSA-N 398.467 -0.561 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN3CCCC[C@H]23)CC1 577540160 JGFPIWRIUNWTLZ-JKSUJKDBSA-N 377.489 -0.824 30 10 GBEE N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]cc2F)C1 595965658 RMDMWMBVCGIFKQ-UHFFFAOYSA-N 376.435 -0.050 30 10 GBEE N#CCC1(O)CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1169629187 NUAJJTXJOKFJJJ-UHFFFAOYSA-N 394.453 -0.394 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3ccnn3)cc2)CC1 1175514645 BWOFMASGIJJTOP-UHFFFAOYSA-N 388.453 -0.448 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286270843 OVGFBOIKKPTFSF-CXAGYDPISA-N 395.485 -0.478 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 1297516299 GHQHJCHBEQPTHJ-OAHLLOKOSA-N 396.488 -0.190 30 10 GBEE CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2Cc3ccc(C#N)cc3C2)C1 1329152795 JRSKXOBYGTUAQQ-HNNXBMFYSA-N 376.438 -0.059 30 10 GBEE C[C@]12COC[C@@]1(C)CN(C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 1330466889 LRCXREKEVPWBHL-DBERZORGSA-N 376.413 -0.486 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)N3C2CCNCC2)nn1 1335214660 CEBWYGWKKAWQHH-CALCHBBNSA-N 387.488 -0.493 30 10 GBEE C#CCN1CCC(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1335311583 KIIFRTUBQQVSBF-AWEZNQCLSA-N 380.470 -0.634 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)C1=O 1350237220 FAPZODVYUDKMSJ-CABCVRRESA-N 378.473 -0.005 30 10 GBEE C=CCOC[C@@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(=O)OC 1467515705 MMIRAGPEWVUJOF-BMFZPTHFSA-N 377.397 -0.160 30 10 GBEE COC1(OC)CCOC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1470328333 UEZHVSMEBHYYOE-CQSZACIVSA-N 383.426 -0.269 30 10 GBEE C#CCN(c1nnc(C)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588035672 WTEYPXQZPVDWOK-GDBMZVCRSA-N 381.502 -0.066 30 10 GBEE N#Cc1ccc(CN2CC[C@H](NC(=O)N(CCO)CCOCCO)C2=O)cc1 1634918331 FKZSSACRRMUCFH-KRWDZBQOSA-N 390.440 -0.328 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)C1=O 1648428329 BKLJFRVLZAJWDX-SNVBAGLBSA-N 389.368 -0.402 30 10 GBEE C=CCCC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)OC 1664237846 RVRZGJPYCDNGJH-GFCCVEGCSA-N 383.492 -0.704 30 10 GBEE N#C[C@@]12CN(C(=O)NCC[S@@](=O)CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1682656780 JXIJHHRPIJSUOR-ZYPSPXFUSA-N 387.405 -0.123 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1690644480 NTNHBQKNGSLSLR-AWEZNQCLSA-N 398.489 -0.535 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1691152069 ZSSPRZRLFWJYDX-HLUFSKSISA-N 376.457 -0.140 30 10 GBEE C=CCNC(=O)CNC1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1733582979 UYEGZFNGYJZNLW-BCDMZGRMSA-N 376.501 -0.118 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 1740294577 RVXZMTGIWBNUFR-FZKCQIBNSA-N 379.457 -0.068 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C)C1=O 1748639653 KJQFFGYADJFXKI-OZVIIMIRSA-N 382.490 -0.176 30 10 GBEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1760233517 BCZZDFHOURKMED-CYBMUJFWSA-N 383.474 -0.250 30 10 GBEE CN1C[C@@H](C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)CC1=O 1857120164 OVBDXCVTLXUCFE-WFASDCNBSA-N 383.408 -0.378 30 10 GBEE C#C[C@@]1(O)CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 1890720944 HUIBCVYAVXISSH-CXAGYDPISA-N 386.470 -0.089 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)N1CC[C@H](C#N)C1 2225624446 AXWUAEMSTOOENA-FVCCEPFGSA-N 390.462 -0.993 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C3OCCO3)C2)n1 2255843748 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C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnn(C)n2)CC1 1359158663 BCDVEVGTHUABTK-LLVKDONJSA-N 381.466 -0.384 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1456731378 ONCGVFCHQZOXQV-YXXKGXSTSA-N 385.486 -0.215 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOCC)c2)C1 1489392429 KCVVODIKOOZPLF-VQHPVUNQSA-N 392.456 -0.188 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)N1C(=O)CCC1=O 1490814229 CXUVOZXLNSXNMG-TUVASFSCSA-N 375.425 -0.188 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1508079867 FUWJKQXTXOJEMP-SFHVURJKSA-N 386.460 -0.057 30 10 GBEE Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1Cc3ccc(C#N)cc3C1)c(=O)n2C 1536352967 QTOOACAVFPCKIR-CQSZACIVSA-N 378.392 -0.411 30 10 GBEE C=CCC1(O)CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 1558317006 NGLYLVIDPARKPW-UHFFFAOYSA-N 388.467 -0.482 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnnn2C)CC1 1588733434 SLAOTXHOARTCLC-UHFFFAOYSA-N 383.460 -0.554 30 10 GBEE 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CCCC[C@@H](CN)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282307982 LAHLVYPZVOUSRZ-NSHDSACASA-N 387.315 -0.090 30 10 GBEE CCC1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CNC1 2282340765 JPFCDGOADVJEAZ-UHFFFAOYSA-N 384.311 -0.003 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCNC(=O)C1 2282345662 QLBYJYOIYVFUJA-SNVBAGLBSA-N 384.267 -0.724 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CS(N)(=O)=O)C1 2282486613 RYXUIKMPDVDHBE-UHFFFAOYSA-N 384.267 -0.920 30 10 GBEE Cc1nc(S(=O)(=O)NC[C@H]2C=CCN2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282842732 CEKRCTVHWQGYGQ-GFCCVEGCSA-N 382.295 -0.166 30 10 GBEE CN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@H]2C[C@@H]21 2282849380 AQZUKJGWYVXSLI-RYUDHWBXSA-N 382.295 -0.204 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CO[C@@H](C2)C1 2282861362 NBQZOFCNZZAIQO-QWRGUYRKSA-N 384.267 -0.476 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)OC1(C)C 2284385468 RWGWJBYSVZWXGR-AEJSXWLSSA-N 384.219 -0.927 30 10 GBEE 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30 10 GBEE C#CCNc1nc(NC[C@H](O)[C@@H]2CCCO2)nc(NC[C@@H](O)[C@H]2CCCO2)n1 858689086 AZFZXVQVDPOKSY-NMWPEEMBSA-N 392.460 -0.180 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(C)(=O)=O)oc2C)CC1 859226058 WOLMILSVGRUKGS-UHFFFAOYSA-N 381.454 -0.111 30 10 GBEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1164314115 NZCYIJXVOLKZJU-KGLIPLIRSA-N 375.429 -0.174 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1258504304 RPEXSZIWSZFQHL-NWDGAFQWSA-N 376.525 -0.400 30 10 GBEE CC#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1291924519 HZGFMKFQSATBSS-PMPSAXMXSA-N 376.457 -0.320 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)C2CCCC2)[C@H](C)O)CC1 1292889662 JQTDZHCRJOKPEU-YJBOKZPZSA-N 392.500 -0.674 30 10 GBEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCNS(C)(=O)=O 1300664820 UIMWQBBFRDKUOP-UHFFFAOYSA-N 380.474 -0.081 30 10 GBEE C=CCNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1322209565 KZHMXYIAPIUNSX-RZLSGREXSA-N 382.461 -0.514 30 10 GBEE 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30 10 GBEE C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1354792653 PTAWZKQAUBHJDS-CVEARBPZSA-N 392.481 -0.349 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCOCC1 1587909062 CECQEBRCZGHNTE-KGLIPLIRSA-N 384.506 -0.322 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2ccnn2C)C1 1650877400 OZORFMWVPCBSOI-GFCCVEGCSA-N 389.437 -0.311 30 10 GBEE C#CCNC(=O)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1721571781 AOPNDLOSFTXILS-JTOWHCCKSA-N 377.441 -0.715 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(C)(=O)=O 1722275813 GGPQKVVDKVBHBF-MNOVXSKESA-N 377.492 -0.609 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1739442829 FLIFZPUSFXFXKI-VQHPVUNQSA-N 393.484 -0.038 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@@H]1O 1739703600 QJTDOCAOGXDDJC-WCVJEAGWSA-N 379.457 -0.428 30 10 GBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749605938 DRWPMZBUXVEBEL-WDEREUQCSA-N 377.492 -0.302 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760259154 HAYBRNSAOMLUNC-JKSUJKDBSA-N 393.513 -0.028 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CC(=O)N(C)C3)C(C)(C)C2=O)CC1=O 1856365318 GNKAPJSJMYVBHD-GJZGRUSLSA-N 390.484 -0.051 30 10 GBEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1872949137 QWCPESHRABTMHO-CABCVRRESA-N 397.497 -0.437 30 10 GBEE C#CCOCCOCCNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2197495109 VCRAFCHFGKJMDL-KBXCAEBGSA-N 386.445 -0.498 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCOC[C@H](N)C3)c2)OC1(C)C 2282299454 UIOQURIHPORTHB-CYBMUJFWSA-N 383.279 -0.271 30 10 GBEE C[C@H]1CO[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282310682 XIMOFYNTFKXKBP-MNOVXSKESA-N 386.283 -0.182 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2OCC[C@H]21 2282327183 DQYJMEORIUTSKW-AXFHLTTASA-N 384.267 -0.430 30 10 GBEE CO[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282506440 SCVJIYMZQKIJJM-VXGBXAGGSA-N 386.283 -0.934 30 10 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CC[C@H](CS(C)(=O)=O)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282694926 XLUTVPGSXZFXHG-SNVBAGLBSA-N 386.283 -0.333 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1CN2 2282850524 QAKLJVRVVLDXEF-DMDPSCGWSA-N 382.295 -0.252 30 10 GBEE Cc1nc(S(=O)(=O)N2C[C@H]3[C@@H](N)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282882339 KIRCKJAWGZOFEB-ZSBIGDGJSA-N 382.295 -0.395 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)C1CC1 2284401962 FKINDAYWEJVIFS-GFCCVEGCSA-N 385.251 -0.139 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCN[C@@H]2C[C@H]12 2359283101 IEHKUJLBWNRGSP-KGYLQXTDSA-N 382.295 -0.252 30 10 GBEE CC/N=C(/NC[C@H](O)C(F)(F)F)N1CCN(c2nccn(C)c2=O)CC1 262767340 GLVULLYACUPSDF-NSHDSACASA-N 376.383 -0.209 30 10 GBEE Cn1c(N2CCN(Cc3nccn3C(F)F)CC2)c(C#N)c(=O)n(C)c1=O 301058547 ATNGUUOFRJYTGQ-UHFFFAOYSA-N 379.371 -0.131 30 10 GBEE Cn1nncc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480274303 MZBHECFAEUTRDW-UHFFFAOYSA-N 396.454 -0.618 30 10 GBEE 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N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CCN1C1CC1 1119073646 HCQIJXKORJCMFH-KRWDZBQOSA-N 398.467 -0.267 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1)[C@@H]1CCS(=O)(=O)C1 1120434934 SMXKEPWDVHENJM-HUUCEWRRSA-N 392.481 -0.225 30 10 GBEE O=C(CNS(=O)(=O)c1ccc(F)cc1)NCCN/C(O)=C1\N=CC=CC1=O 1144429430 UUJYWTARGCEYEL-FOCLMDBBSA-N 396.400 -0.253 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1261357812 DPQLADFTXYBAGD-AWEZNQCLSA-N 383.408 -0.067 30 10 GBEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1286601995 RATRUMKZJKYFDH-AWEZNQCLSA-N 394.476 -0.040 30 10 GBEE N#C[C@@]12CN(C(=O)c3ccc4c(c3)C(=O)NCCO4)C[C@H]1CS(=O)(=O)C2 1289203737 GEIDEUHCTAERGR-SJCJKPOMSA-N 375.406 -0.181 30 10 GBEE O=C1NCC2(CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)O1 1299649928 MRUSULWVQVLVAB-UHFFFAOYSA-N 378.410 -0.174 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCNS(C)(=O)=O)CC1 1300715845 GCJGOOATASHHSI-UHFFFAOYSA-N 382.490 -0.508 30 10 GBEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCNC(=O)CC3)C2=O)cc1 1323341758 HJZBLIBMRFKYHM-HNNXBMFYSA-N 383.408 -0.876 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1325592462 SAPSBKNVOJJDDQ-IAGOWNOFSA-N 380.404 -0.364 30 10 GBEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)CO)cc2)CC1 1328723405 FWWRYFUVJNVRPG-AWEZNQCLSA-N 380.426 -0.846 30 10 GBEE CCNS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1329806609 CESSPGXSKNNEKX-AWEZNQCLSA-N 382.442 -0.894 30 10 GBEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358926364 MUJZNEFVPPDWLB-AWEZNQCLSA-N 381.440 -0.156 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 1507615995 DLDOLKUWHNECMQ-AWEZNQCLSA-N 397.501 -0.015 30 10 GBEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 1539094013 IZYWHDFRRAYOSL-GJZGRUSLSA-N 396.517 -0.178 30 10 GBEE C[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)COCCO1 1542019447 QCMHNLKNAFBZGV-KDOFPFPSSA-N 390.444 -0.065 30 10 GBEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 1589060781 YOHXLGGKQYHPJG-GFCCVEGCSA-N 383.499 -0.170 30 10 GBEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1637238452 UNWRVGZSWYCIOI-MHZLTWQESA-N 396.473 -0.366 30 10 GBEE C#C[C@H]1COCCN1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1669430014 BVVDTAPBHAHYMD-AWEZNQCLSA-N 381.458 -0.383 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC(=O)N2CCC[C@H](C)C2)CC1 1676823232 JQNNPTHDXIARSS-HNNXBMFYSA-N 399.517 -0.570 30 10 GBEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1C(=O)CCC1=O 1686160866 KJPZSVHVQOUJNE-KFWWJZLASA-N 375.425 -0.187 30 10 GBEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 1852363581 GGKTUHRSJAQBSJ-MRXNPFEDSA-N 376.438 -0.190 30 10 GBEE Cc1ccc(=O)n(CC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)n1 1853844574 FMMZXPRTCVYXPV-UHFFFAOYSA-N 393.403 -0.023 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCNS(N)(=O)=O 2060796801 TYHGWFYXLLULKX-LLVKDONJSA-N 377.467 -0.127 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2CC[C@@](O)(CO)[C@H](O)C2)OC1(C)C 2282029215 PGRFLNDDBPMVTN-SJKOYZFVSA-N 383.275 -0.023 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]2CNC[C@@H]21 2282316437 CFHTYAYTGNIZIE-QWRGUYRKSA-N 383.283 -0.903 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C(N)=O)C1 2282329749 QTEJENXZSMGNJR-JTQLQIEISA-N 384.267 -0.785 30 10 GBEE C[C@H]1CNCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282488142 AWXMKRAAQWVTMW-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@](O)(C(N)=O)C2)OC1(C)C 2282616505 CFHSNMNWAPCMKZ-MRXNPFEDSA-N 381.263 -0.105 30 10 GBEE C[C@H]1CCN[C@@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837800 HBTIXKMQYLXJGY-WCQYABFASA-N 384.311 -0.004 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H](O)[C@@H](O)C3)ccc2F)OC1(C)C 2282844456 DGDQAEPZQOSXLS-KBPBESRZSA-N 387.238 -0.149 30 10 GBEE C[C@@H]1CNC[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849702 FUTWGEJKWUTNDK-NEPJUHHUSA-N 384.311 -0.147 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CCNC[C@@H]3CC(N)=O)ns2)OC1(C)C 2369382081 SUGOFCQTNPMQFA-JTQLQIEISA-N 380.279 -0.268 30 10 GBEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@H]1CCN(C(=O)[C@H](O)CO)C1 204980708 RBXDVZRROOZTBJ-UONOGXRCSA-N 392.265 -0.834 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 516846828 RZCHEMQUZKVOPO-OAGGEKHMSA-N 390.484 -0.004 30 10 GBEE Cn1nccc1[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 592106772 XWTCCQPKTOVLJB-DGCLKSJQSA-N 385.446 -0.138 30 10 GBEE C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CS1(=O)=O 598191714 KBIZENDCKFQLBO-WCQYABFASA-N 385.467 -0.082 30 10 GBEE Cc1nc(NC(=O)C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)ccc1C#N 600022918 USZIVSIPHFETHU-IBGZPJMESA-N 387.440 -0.068 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 779730313 FQLGUXIRHQIJOZ-IAGOWNOFSA-N 387.440 -0.596 30 10 GBEE N#Cc1ccc(CS(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c(F)c1 790837528 CUIWRYUOJHJNKE-UHFFFAOYSA-N 391.446 -0.221 30 10 GBEE CCS(=O)(=O)CCCNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1118361527 OJQNDUFIPFDCAH-OAHLLOKOSA-N 381.454 -0.009 30 10 GBEE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)c1cccnc1 1134645890 YNDLXRMKIKJFOE-SWLSCSKDSA-N 398.466 -0.901 30 10 GBEE C#CCOCCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1323697962 DLFXOMZWXDQBEV-ROUUACIJSA-N 398.463 -0.533 30 10 GBEE Cc1ccc(C(=O)N[C@@H](CO)c2cncn2C)cc1S(=O)(=O)NCC#N 1454172698 VNNKNJCVLQYXFC-ZDUSSCGKSA-N 377.426 -0.006 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCC[C@@H]1NC(=O)NC1=O 1507648868 UFMUFEDMGWVMMP-ZDUSSCGKSA-N 378.396 -0.204 30 10 GBEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCNS(C)(=O)=O 1588620081 MZBVOJUHLUNLOX-UHFFFAOYSA-N 378.458 -0.025 30 10 GBEE CCn1c(=O)c(=O)n(CC(=O)NCC#N)c2cc(S(=O)(=O)N(C)C)ccc21 1640743396 ZCAAQDZQFJKZGE-UHFFFAOYSA-N 393.425 -0.927 30 10 GBEE Cc1ccn(C[C@](C)(O)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(=O)c1 1645269787 GDJYTFGJCTVTHX-JQFCIGGWSA-N 379.438 -0.696 30 10 GBEE CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1CNCC(=O)NCC#N 1656495718 RVYXLAXFLVQOAL-YYIAUSFCSA-N 388.472 -0.384 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1690019060 AANDNBWTSKWOJU-HUUCEWRRSA-N 378.454 -0.332 30 10 GBEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC2)CC1 1690111532 DHIWZXVYOSPHRD-CYBMUJFWSA-N 382.490 -0.832 30 10 GBEE C#CCN1CCN(c2nnc(COCC)n2CCNS(=O)(=O)CC)CC1 1690133616 NNTZMBYPKTYCOQ-UHFFFAOYSA-N 384.506 -0.491 30 10 GBEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760174828 QKDJQIWKHURJSC-KRWDZBQOSA-N 375.454 -0.117 30 10 GBEE COC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2267474582 XOJDYNJUMOSZIF-SNVBAGLBSA-N 390.292 -0.174 30 10 GBEE CN(c1nnnn1C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329637 PGQMRTWXECEEGK-UHFFFAOYSA-N 383.243 -0.932 30 10 GBEE CCN(CC(=O)OC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282337320 GPFZYDCTXPTRCP-UHFFFAOYSA-N 387.267 -0.097 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@]3(CO)CCNC3)c2)OC1(C)C 2282338025 ORZFKPCHZPMIJW-QGZVFWFLSA-N 382.291 -0.012 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@]1(C)CN 2282839705 HWDCIBVFRJNVLE-OAHLLOKOSA-N 385.299 -0.384 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N[C@H](CCS)C(=O)O 2310486084 SROHCIHVGPPNSG-GWOFURMSSA-N 378.447 -0.393 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2337394976 SUNINZUIBNZDFZ-UWVGGRQHSA-N 388.276 -0.670 30 10 GBEE C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2csnn2)N1C 22922460 KFYJDTKWLPLSCF-LZWOXQAQSA-N 376.486 -0.559 30 10 GBEE CO[C@](C)(CO)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594628348 LAJXTGANOCYZDF-AWEZNQCLSA-N 391.471 -0.494 30 10 GBEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)n1 599899586 NWVOIGWEHCEJBI-CYBMUJFWSA-N 388.815 0.440 30 10 GBEE C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCO[C@@H](CNC(=O)NC)C1 624981899 VDQFYYVEGIYVRW-LBPRGKRZSA-N 375.437 -0.216 30 10 GBEE C#CCNC(=O)CN1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 728570986 RMGBJJZYNMBNHL-UHFFFAOYSA-N 383.496 -0.468 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)OC)cc2)CC1 733315992 GVLHCDVNLAGTCX-UHFFFAOYSA-N 393.465 -0.542 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 852428322 ISXUPLHBWLEQOJ-NSHDSACASA-N 378.429 -0.486 30 10 GBEE CO[C@H]1C[C@@H]2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)Cc3cccnc3N2C1 866058170 VETJCMQUPFUILR-KGLIPLIRSA-N 382.424 -0.035 30 10 GBEE C#CCN(C(=O)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1)C1CCN(C)CC1 910886547 NIMDFDMSITWQIO-OAHLLOKOSA-N 384.502 -0.917 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCNCCNCC3)CC2)cc1 926286431 MYMJHDIQLGEDHC-UHFFFAOYSA-N 384.484 -0.776 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCN(C)CC1 930166857 IMHAHTWBVZZGHU-CYBMUJFWSA-N 388.390 -0.178 30 10 GBEE C[C@H](C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)n1cnc(C#N)n1 1133586617 TWUOFNIYULXPKM-CYBMUJFWSA-N 383.412 -0.398 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(C)c3nc2C)CC1 1175514639 BTTVRJGOLFHYGA-UHFFFAOYSA-N 390.469 -0.189 30 10 GBEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](C#N)CO)n2C 1261744512 IVJIGTUMFLBTMP-NSHDSACASA-N 379.442 -0.243 30 10 GBEE C[C@]12CN(C(=O)CSCC#N)C[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1282429512 BUPXBKPWNNSEGB-APNQJHFZSA-N 380.470 -0.417 30 10 GBEE C#CCN(C(=O)[C@H](C)S(=O)(=O)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 1319197818 YEGPJPKGKJJYNG-STQMWFEESA-N 377.484 -0.382 30 10 GBEE CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1328361789 FODRVATZMIJFOR-VCHHOEMESA-N 377.445 -0.382 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)CCN1C1CC1 1329381161 FQHXPPLVCDDBLV-OAHLLOKOSA-N 383.456 -0.228 30 10 GBEE C#CCN(C(=O)C(=O)NCCOc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1344821716 ZSHBGBQNOVIPBK-CQSZACIVSA-N 394.449 -0.161 30 10 GBEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnn(C)n2)CC1 1359173950 SLTJDKYAPFNATA-LLVKDONJSA-N 395.493 -0.138 30 10 GBEE C=CCn1c(N2CCN(c3nncn3C)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1520567382 CVVYFYSELSCVTR-KSSFIOAISA-N 387.492 -0.169 30 10 GBEE C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cnn(C)c1 1565926154 AIMHXYDSXXOYDC-XWEXYQFDSA-N 397.479 -0.523 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)CC(=O)OC)s1 1634987615 CMLNCIHXNVFROK-JTQLQIEISA-N 376.456 -0.205 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2-c2ccoc2)CC1 1636480100 LQTKMQPMSGJMIN-UHFFFAOYSA-N 377.426 -0.095 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)c2nncn2C)ccc1F 1646081962 LDLOKCRKAVELSI-GFCCVEGCSA-N 383.405 -0.118 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nnc3ccccn23)CC1 1675268162 BIKPRIJKAHXQHC-CYBMUJFWSA-N 391.457 -0.415 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690669832 QCPLCMZHJWZJKQ-NEPJUHHUSA-N 396.473 -0.845 30 10 GBEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1nc2ncccn2n1 1719894346 JCOPUXYTJRLODB-KFWWJZLASA-N 382.424 -0.045 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)C 1741943395 FMGRFAQMJBMLCU-RWMBFGLXSA-N 385.494 -0.433 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1749670070 QUEJPOLTCFCGFX-ZDUSSCGKSA-N 383.474 -0.291 30 10 GBEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1749721660 QJZHQWWDPCIDRB-ZDUSSCGKSA-N 385.490 -0.047 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nnc4n3CCC4)[C@@H](C)C2=O)CC1=O 1855730158 GPVPMHGXPJQEFZ-KBPBESRZSA-N 386.456 -0.182 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCCOC3)C(=O)C2)C1 1856829882 JAEYDUMTOFICJZ-KBPBESRZSA-N 384.458 -0.989 30 10 GBEE COc1cccc(C(=O)/C=C/C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 1866391945 HMHVVTWWUKQYGO-FHTYSXSTSA-N 397.405 -0.495 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CNC[C@@H]2S(C)(=O)=O)C1 2266490562 AZVVEKCFHITIMK-UDRCLVEDSA-N 385.486 -0.206 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCCNC1 2282307969 KVEQBLLPNYJRIY-LLVKDONJSA-N 385.299 -0.465 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC12CC(CN1)C2 2282310415 SYPZOGOIQVDLNI-UHFFFAOYSA-N 383.283 -0.855 30 10 GBEE COCCN(CCF)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282321491 XUFAROLNUDWCAL-UHFFFAOYSA-N 392.262 -0.279 30 10 GBEE C[C@H]1CNC[C@@H](C)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282325004 YCZLJLILTSCBSJ-PHIMTYICSA-N 385.299 -0.515 30 10 GBEE CO[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@@H]1N 2282335474 QAXWFSSQHYUVME-QWRGUYRKSA-N 386.283 -0.934 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1[C@H]2COC[C@H]12 2282860072 VFQVHMKQWFHXAV-VXGBXAGGSA-N 383.279 -0.110 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)N1CC[C@@H](C#N)C1 2333598223 AXWUAEMSTOOENA-RVMXOQNASA-N 390.462 -0.993 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2359399669 RWGWJBYSVZWXGR-OPRDCNLKSA-N 384.219 -0.927 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2362346374 RBSRLENZWWQMAR-GHMZBOCLSA-N 383.279 -0.118 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 330507979 BVJIRFBBWQFSCV-OAHLLOKOSA-N 386.518 -0.506 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC(F)(F)C[C@@H]3CO)n2)cc1 372661734 CXHNIFMQKXZJFW-CYBMUJFWSA-N 390.350 0.365 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC[C@H]2CCCN(C)C2)CC1 422493012 PSXOPTYSURORSZ-MRXNPFEDSA-N 379.505 -0.719 30 10 GBEE COc1cc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1C#N 578267916 GNNBOTPDBZQUKY-UHFFFAOYSA-N 382.380 -0.370 30 10 GBEE Cc1cn(C)nc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 595024913 HULICMZSUWGXRE-HNNXBMFYSA-N 380.408 0.456 30 10 GBEE CCOCCNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600604321 GMDPRIHOSQWBGM-UHFFFAOYSA-N 380.401 -0.624 30 10 GBEE C=CCN1CCC(NC(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CC1 636676967 NKYLNDRHTWVVRH-UHFFFAOYSA-N 386.500 -0.070 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 790106199 WHGULGQHFQPXDI-MRXNPFEDSA-N 375.473 -0.099 30 10 GBEE O=C(C1CC1)[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 801262671 BSQDUBFKZPXTAT-CYBMUJFWSA-N 377.422 -0.068 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)c1cc[nH]n1 804540034 SBJKSBSFHDROJE-SNVBAGLBSA-N 386.430 -0.225 30 10 GBEE C#C[C@@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CCOCC1 853921236 YDULNGJMKMOIHL-AJKMGBEJSA-N 389.412 -0.722 30 10 GBEE C#C[C@H](NC(=O)C(=O)N1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1)[C@@H]1CCCO1 930465630 FGEXHCAFAWNAEJ-KSWRQPAISA-N 380.441 -0.295 30 10 GBEE C#CCOCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1118812290 FPEVQPMBMXXVNR-UHFFFAOYSA-N 376.388 -0.661 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)Cn2ccnn2)s1 1161187519 BGIHPVSOGMGPST-LLVKDONJSA-N 385.471 -0.476 30 10 GBEE C#CCN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1252183069 WEMJONVNXINGCL-CYBMUJFWSA-N 398.462 -0.792 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC=C 1286787039 BDLRWVOWRSBCGO-CYBMUJFWSA-N 398.489 -0.465 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CC(OCC)C1 1300429716 AVXKKXDMHAMTPY-VEAWUBTESA-N 385.490 -0.112 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccnc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1320690058 MPFZASAXSLFQOG-CYBMUJFWSA-N 387.421 -0.145 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCO[C@]3(CCSC3)C2)CC1 1349347080 DBLGOVZXUASBRV-GOSISDBHSA-N 379.482 -0.291 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1nc2ncccn2n1 1522268802 IJYVVXGXVJRSPN-YJNKXOJESA-N 382.424 -0.047 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nnc(O)nc1O 1574295455 UMSWPXAROQNRRD-WXHSDQCUSA-N 377.401 -0.334 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)CC1 1686884545 CTTBGAUFKNSYQY-ZDUSSCGKSA-N 385.490 -0.819 30 10 GBEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 1705725810 SQSWGXBZZQCNCV-ZDUSSCGKSA-N 398.489 -0.487 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCNS(C)(=O)=O 1740636758 BVQSJVOERFDTKU-UHFFFAOYSA-N 375.458 -0.309 30 10 GBEE C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1763266509 FMHKEEVOSQIYCW-DEYYWGMASA-N 390.444 -0.217 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)CC1 2200936946 AGWFUMWUWNWLHB-UKRRQHHQSA-N 384.477 -0.293 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N 2282309583 HREVUGJQJVLXAK-WDEREUQCSA-N 385.299 -0.338 30 10 GBEE C#CCOC1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282329505 NGXFKPAEYDVXOS-UHFFFAOYSA-N 381.263 -0.258 30 10 GBEE Cc1nc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)n[nH]1 2282335643 SBNAICPNEIPMIE-UHFFFAOYSA-N 382.255 -0.376 30 10 GBEE C=C(CS(=O)(=O)N1C[C@@H]2OC[C@H](CO)O[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282495856 RZTBGCWBYPUNKD-IHRRRGAJSA-N 389.279 -0.036 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)n1 2282496881 IVOJBSVXBRUTSE-YPMHNXCESA-N 382.295 -0.298 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1[C@H]2CCCN[C@H]21 2282863284 PLHDEYYMWKBQEG-ZLKJLUDKSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2ccc(O)c(C(=O)NCCNS(C)(=O)=O)c2)OC1(C)C 2282984656 SQSHTLLOAQSGHJ-UHFFFAOYSA-N 384.263 -0.030 30 10 GBEE C=C(CS(=O)(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284401874 FDQOTRCKMNJXOU-QJPTWQEYSA-N 391.251 -0.616 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@H]2C(=O)NC[C@H]2C(=O)O)OC1(C)C 2362564782 VPJXAWXQHNLJIK-VXNVDRBHSA-N 381.219 -0.629 30 10 GBEE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362566886 OFFHQNNGQZZLJM-IJLUTSLNSA-N 384.263 -0.365 30 10 GBEE O=C(C[N+]12CCN(CC1)CC2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 29224248 PIIKTLFPNGFCBZ-UHFFFAOYSA-N 397.496 -0.195 30 10 GBEE Cn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 92110307 IWSFKKQJUZLKCJ-UHFFFAOYSA-N 389.441 -0.097 30 10 GBEE C/N=C(/NCCNC(=O)c1cnccn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262579991 QBELTJWKPUWVMS-HNNXBMFYSA-N 389.460 -0.895 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)C1=O 374508662 RNLSMIDXJHQZGV-ZDUSSCGKSA-N 389.412 -0.086 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CC1 410711352 LKGBFQGCENKNNR-HOTGVXAUSA-N 379.505 -0.626 30 10 GBEE Cn1c(=O)c2cc(NC(=O)C(=O)NCC3(C#N)CCCC3)cnc2n(C)c1=O 593673032 ULALKGARGMMVPX-UHFFFAOYSA-N 384.396 -0.229 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)c3c(O)nc(O)nc3n2)CC1 607044508 YADUCCFVVMQAEG-UHFFFAOYSA-N 386.412 -0.196 30 10 GBEE C=CCN(Cc1cccs1)C(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 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394.439 -0.359 30 10 GBEE C#CCNS(=O)(=O)N1CCN(Cc2nnc(Br)s2)CC1 2196041450 IVHOBEIWPFEPNZ-UHFFFAOYSA-N 380.293 -0.114 30 10 GBEE C=C(CS(=O)(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)B1OC(C)(C)C(C)(C)O1 2267418443 IRYMEBRQPGMOAP-FDYHWXHSSA-N 377.268 -0.804 30 10 GBEE C[C@H]1CNC[C@H](C)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282325005 YCZLJLILTSCBSJ-QWRGUYRKSA-N 385.299 -0.515 30 10 GBEE C#CCOCCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282502992 SLJMMBMVRYEWHU-UHFFFAOYSA-N 383.279 -0.044 30 10 GBEE C[C@@H](O)CN(CCO)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508666 ZNSPQTWBOBEGAD-LLVKDONJSA-N 389.283 -0.917 30 10 GBEE CNC[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282841534 WDMHWCYUQSZGSO-GFCCVEGCSA-N 384.311 -0.051 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(S(N)(=O)=O)C1 2285212951 OHVBOJJEBWMYEV-UHFFFAOYSA-N 381.263 -0.198 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CO 2359266080 BMCVWZOILHZRNL-UMNHJUIQSA-N 384.263 -0.711 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2C(=O)NC[C@@H]2C(=O)O)OC1(C)C 2362564780 VPJXAWXQHNLJIK-CBAPKCEASA-N 381.219 -0.629 30 10 GBEE N#Cc1cc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 264041103 DRKMNRINDOLAEM-LLVKDONJSA-N 389.430 -0.331 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@@H](O)C1 349485081 ZEWQUZJJLSJKLW-RYUDHWBXSA-N 389.455 -0.741 30 10 GBEE C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC(=O)N1C 349507525 YKTCYAZRRRXJCI-NEPJUHHUSA-N 380.492 -0.958 30 10 GBEE N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCOC1 349593340 PLDSQFKLHVHKPZ-QWHCGFSZSA-N 397.544 -0.254 30 10 GBEE Cn1nccc1[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 592106774 XWTCCQPKTOVLJB-YPMHNXCESA-N 385.446 -0.138 30 10 GBEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 600798091 QDXFSOWQMGSTTO-CYUUQNCZSA-N 385.472 -0.289 30 10 GBEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 734292041 ALSBFWHGLKHQQE-SREVYHEPSA-N 388.405 -0.218 30 10 GBEE 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C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)NC)CC1 1300700867 YHWQDMRULIAZSL-OAHLLOKOSA-N 396.517 -0.524 30 10 GBEE N#CCOc1cccc(NC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1329301246 FFWWQBJTPKKQGH-KRWDZBQOSA-N 393.421 -0.056 30 10 GBEE N#CCc1cccc2c1CCN(C(=O)C(=O)N1CCN3C(=O)NC(=O)[C@@H]3C1)C2 1329341320 HKLCGASDZQRCOS-HNNXBMFYSA-N 381.392 -0.600 30 10 GBEE C#CCN(C(=O)C(=O)NCCC1SCCS1)[C@H]1CCS(=O)(=O)C1 1330353730 RMOJADAHKZJNMP-NSHDSACASA-N 376.525 -0.052 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@H](C)[C@](C)(CO)C2)n1 1330419491 QCOBPPVXXVPSLA-KXBFYZLASA-N 376.457 -0.032 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccncc2)[C@@H](C)C1 1332213225 HKTHEICNCTVHLA-AWEZNQCLSA-N 380.470 -0.164 30 10 GBEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCC(NC(=O)COC)CC1 1338773422 PCEOPEHPCZIKGB-CABCVRRESA-N 378.477 -0.067 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCOC 1341637482 UZGIVSILNRLELH-OAHLLOKOSA-N 378.477 -0.112 30 10 GBEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCOc2ccc(F)cc2)c1=O 1459189430 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CN(C)CC1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1329305149 BXTQDKXLQVEHOW-UHFFFAOYSA-N 388.428 -0.996 30 10 GBEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1330092712 SPVBEZKCELGXJX-CYBMUJFWSA-N 396.473 -0.169 30 10 GBEE C=CCN(C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CNC[C@H]32)C1)[C@H](C)COC 1330568185 PZKDETQPZMJMJO-TUVASFSCSA-N 380.445 -0.571 30 10 GBEE N#CCN1CCC(NC(=O)C(=O)N2CCC(CO[C@H]3CCNC3)CC2)CC1 1335239569 JSTVDQIIVGOQEN-KRWDZBQOSA-N 377.489 -0.292 30 10 GBEE C#CCN(C(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1CCS(=O)(=O)C1 1337194340 WOIAUDBXQWJGOH-SNVBAGLBSA-N 391.496 -0.273 30 10 GBEE C=CCn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(S(=O)(=O)C2CC2)CC1 1338776039 VKTIQUIPLKFQMP-HIFRSBDPSA-N 396.517 -0.184 30 10 GBEE C#CCN(C(=O)C(=O)NCc1nccc(OC)c1F)[C@H]1CCS(=O)(=O)C1 1346910677 WIBQOSIPEAHLRV-NSHDSACASA-N 383.401 -0.506 30 10 GBEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@]12COCCN1C(=O)COC2 1349520524 RJDSCTAVKAHEEH-VCBZYWHSSA-N 379.457 -0.019 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1ccnn1 1507643200 RVOOXTOKIQSSSL-CQSZACIVSA-N 390.473 -0.357 30 10 GBEE COCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1619836617 JOUMEZBCKOLJIH-HUUCEWRRSA-N 391.476 -0.074 30 10 GBEE COCCN(CC#N)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1637302375 USNBANOJJBPOGD-CYBMUJFWSA-N 375.834 -0.022 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1640681817 RIAQXVLBSJPZCC-NXVVXOECSA-N 397.453 -0.291 30 10 GBEE CN(C)[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)COc2ccccc2C1 1646147490 JHAGBIYWADIDDJ-LJQANCHMSA-N 383.408 -0.128 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)NCC(F)(F)F 1686005829 SDMYDCACJKZWDQ-USZNOCQGSA-N 375.347 -0.049 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749663358 BLGAQQQEZRJPEF-GXTWGEPZSA-N 382.428 -0.248 30 10 GBEE C=CCN([C@H]1CCN(C(=O)Cn2cnc(C)cc2=O)C1=O)[C@@H]1CCN(C)C1=O 1854282064 AGRRRJQFVPNMLQ-CABCVRRESA-N 387.440 -0.602 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NS(C)(=O)=O)OC1(C)C 2248580867 DHGSTPGVACIJNY-UHFFFAOYSA-N 382.294 -0.179 30 10 GBEE CN(CC[S@@](C)=O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267355993 NXLYKBBWZRMQMG-XMMPIXPASA-N 392.312 -0.887 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCOCCN)OC1(C)C 2267707274 NSWHLVIUZKPUIF-UHFFFAOYSA-N 391.324 -0.163 30 10 GBEE COC(=O)[C@H](CO)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267717856 KCJYVYJAXGNIJB-JTQLQIEISA-N 391.276 -0.141 30 10 GBEE Cn1c(=O)cc(O)n(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)c1=O 2282029188 OZPJYPLQTPLCHZ-UHFFFAOYSA-N 379.203 -0.303 30 10 GBEE Cc1cc(C(=O)NC[C@@H]2NC[C@H](O)[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282128492 LVJNUHTYCUAGEI-GMXVVIOVSA-N 382.291 -0.221 30 10 GBEE CC1(C)OB(c2cncnc2C(=O)N2CC(NS(C)(=O)=O)C2)OC1(C)C 2282182349 RADZUAFSDQXSNV-UHFFFAOYSA-N 382.251 -0.851 30 10 GBEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282337901 KGMRTPRYDXVOPC-GFCCVEGCSA-N 381.263 -0.258 30 10 GBEE CC[C@@H]1COC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282416120 QYHYSZBAVGIWQU-GHMZBOCLSA-N 386.283 -0.182 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CNC[C@H](F)C2)n1 2282831802 DZZXTEGBLWCFRN-MNOVXSKESA-N 388.274 -0.302 30 10 GBEE Cn1c(=O)c2nc(CN3CCN(c4ncccc4C#N)CC3)[nH]c2n(C)c1=O 101543855 JMYLPDHHUIBDQN-UHFFFAOYSA-N 380.412 -0.451 30 10 GBEE CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 262348499 DSCUUCGWIJFSGS-UONOGXRCSA-N 394.563 -0.211 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 279362966 DGFZKOBYTQUDFL-KRWDZBQOSA-N 392.437 -0.035 30 10 GBEE C=C[C@@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 331029280 XVTBCWLWEDAUDS-INIZCTEOSA-N 375.491 -0.064 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CCOC)Cc2ccco2)CC1 459988358 KPLLTPWRRNFPQH-UHFFFAOYSA-N 392.456 -0.299 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Cn2cccn2)CC1 556370859 QTJYTNQUGFUTBM-OAHLLOKOSA-N 376.461 -0.918 30 10 GBEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 585673794 SNAFZZYXVJVGJB-ZWNXCUSNSA-N 399.407 -0.216 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C#N 599506739 KCVMXGCGDVKUAE-GFCCVEGCSA-N 377.419 -0.364 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCNC34CCC4)CC2)c1C#N 599960453 WRDATKNPFNZGOF-HNNXBMFYSA-N 385.472 -0.350 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1CC#CCN1C(=O)c2ccccc2C1=O 626098246 NPHGTDDISAFVDW-CQSZACIVSA-N 391.449 -0.464 30 10 GBEE CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 654843637 NRAGUXPPBVXIFC-LIRRHRJNSA-N 386.408 -0.088 30 10 GBEE CS(=O)(=O)N[C@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 735073077 LRWNUSXJNVYGST-HNNXBMFYSA-N 391.453 -0.097 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)n1 804360905 UFLHCWUURVFQDY-OAHLLOKOSA-N 399.455 -0.478 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 855496375 JRLRLMWAYGLZQA-UHFFFAOYSA-N 383.426 -0.341 30 10 GBEE CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cn(C)nc2Cl)c1=O 857226544 QVHVEBBJXJFQIU-UHFFFAOYSA-N 395.872 -0.418 30 10 GBEE CN1CCOC[C@@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 862973110 JKVVAIVAKPKNKT-ZDUSSCGKSA-N 380.470 -0.048 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@]23COCCN2C(=O)OC3)n1 869017536 MXAQXUKSAJJWNE-GOSISDBHSA-N 391.428 -0.105 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 1261358517 XBHATEQCZLQEJL-AWEZNQCLSA-N 393.440 -0.305 30 10 GBEE CO[C@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC[C@H]1C 1261805636 OGMYRRGMHKQTNS-MFKMUULPSA-N 375.385 -0.913 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3C[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3)C2)c(=O)nc1O 1261805725 QZURVBMNJVXFNI-GVAFMPQTSA-N 395.419 -0.126 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3nn[nH]n3)CC2)cc1 1290635802 CIAANTOJIRXVLE-UHFFFAOYSA-N 389.441 -0.073 30 10 GBEE C[C@@H](NS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1522142568 XDURXJAUHSUKEZ-QQUHWDOBSA-N 379.442 -0.314 30 10 GBEE C=C(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1523779302 VTTVCTXDTBXJNR-QWQRMKEZSA-N 378.477 -0.283 30 10 GBEE NS(=O)(=O)C1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1570262023 CAOXWHSGDRMVIJ-UHFFFAOYSA-N 386.455 -0.995 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)CCS(C)(=O)=O 1595530261 YWPZZBIEOBEVKI-UHFFFAOYSA-N 395.489 -0.148 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)s1 1628996480 MSUSHURKUQNREO-LLVKDONJSA-N 398.466 -0.483 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)c1 1637057808 LFQYGEIHHZXFRD-HNNXBMFYSA-N 391.453 -0.039 30 10 GBEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCS(=O)(=O)CC(F)(F)F 1640973495 OEZVDHVIVMMZCH-QXMHVHEDSA-N 383.348 -0.004 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C(=O)NC)c2)CC1 1667546625 DGYLVLNBFUCQFD-UHFFFAOYSA-N 393.469 -0.659 30 10 GBEE N#C[C@]12CN(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@H]1CS(=O)(=O)C2 1681888878 ZQTXINXJUMFIQC-WRWORJQWSA-N 378.336 -0.097 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC(=O)N1 1723917635 XCBBRQXMUJHLBV-GRYCIOLGSA-N 383.478 -0.095 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740959664 CDPJBPFUHXXCEB-OLZOCXBDSA-N 376.417 -0.275 30 10 GBEE CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1771367394 UJFOFHKMAFBMNE-ZIAGYGMSSA-N 398.489 -0.160 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)CC[C@H]3CCCO3)C(=O)C2)C1 1856830058 KWAFGNGMFUVJRM-LSDHHAIUSA-N 398.485 -0.456 30 10 GBEE C=CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CNC1 2249432005 XRKVUJYNERAARY-AWEZNQCLSA-N 397.453 -0.098 30 10 GBEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)S(N)(=O)=O 2255634571 SZGBCVQCFJILSL-MRVPVSSYSA-N 375.281 -0.151 30 10 GBEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[S@@](C)=O 2267716738 ROCHQVKUDRRECB-VKTRGTBVSA-N 391.324 -0.235 30 10 GBEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281988182 IUNTXYFMECTCFH-SNVBAGLBSA-N 386.283 -0.281 30 10 GBEE CC1(C)OB(c2cc(F)ccc2C(=O)NCCNS(N)(=O)=O)OC1(C)C 2282408399 HWWVSXXTXMGTTO-UHFFFAOYSA-N 387.242 -0.352 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCN2CC=CC2)n1 2282502770 POISRQKYXDCCOQ-UHFFFAOYSA-N 382.295 -0.131 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCn2ccnn2)n1 2282841378 UONKZIIXFBWIGG-UHFFFAOYSA-N 382.255 -0.711 30 10 GBEE CN1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)N1 2282856702 WXZBVIQDSVMNMY-ZDUSSCGKSA-N 381.263 -0.391 30 10 GBEE C[C@H]1C[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CN1 2282865034 OIHTZOXHVKUGGM-WDEREUQCSA-N 385.299 -0.609 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 2284395360 KIVRSRQBBDNVAQ-SNVBAGLBSA-N 385.251 -0.186 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@]2(CN)C1 2288265925 DSEIIQGXHGJZSW-BZNIZROVSA-N 382.295 -0.311 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CC(CS(N)(=O)=O)C2)OC1(C)C 2337395531 ARFNSLRGJLGGDE-UHFFFAOYSA-N 387.292 -0.197 30 10 GBEE C/N=C(/NCC1CCN(C(C)=O)CC1)N1CCN(CCC(=O)N(C)C)CC1 261663516 BAMQKPSSPZAMGX-UHFFFAOYSA-N 380.537 -0.084 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 279409722 HKICJKLLINQOSC-QGZVFWFLSA-N 390.421 -0.588 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 298543829 BOKYJFRDNGUPMW-JKSUJKDBSA-N 396.451 -0.129 30 10 GBEE Cc1ncc(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C#N 489879328 KJHLURKGKVVTRM-CYBMUJFWSA-N 387.487 -0.189 30 10 GBEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 517263184 ZKRKMZWEVJVSKR-ZDUSSCGKSA-N 385.442 -0.397 30 10 GBEE CCO[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H]1CN 593770499 JLKPHPZIFXLIQZ-HUUCEWRRSA-N 397.439 0.208 30 10 GBEE Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1 599893826 XNAGFRAJZCOOKM-UHFFFAOYSA-N 384.440 -0.025 30 10 GBEE CN(C)CCn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 610869619 FYZHAZIIYYPWME-UHFFFAOYSA-N 396.455 -0.001 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1=O 726042706 LGZCNIDIZNSMDB-STQMWFEESA-N 393.396 -0.324 30 10 GBEE COc1cc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1F 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378.462 -0.456 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nn(CC)nc2C)n1 1325974453 QZKHOAZSXCTWEH-UHFFFAOYSA-N 387.444 -0.272 30 10 GBEE N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)CC1 1329493195 BZFJUBJACVHYKQ-IYBDPMFKSA-N 388.399 -0.028 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@]1(C)CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1343368062 RPMJJHDKOXWCAP-RKVPGOIHSA-N 382.482 -0.043 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1347664716 RVBGITQZTWSXGE-SYQHCUMBSA-N 376.413 -0.212 30 10 GBEE CCS(=O)(=O)NC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1543927746 RXKGNWJLARLKKX-NXVVXOECSA-N 384.458 -0.167 30 10 GBEE C#CCO[C@@H](C)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1635103036 NFXWDQGGJMIUKF-JKSUJKDBSA-N 387.484 -0.012 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3cc(C)ccn3c2=O)CC1 1636475421 HRBOAQCIQJWTOD-UHFFFAOYSA-N 389.437 -0.772 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1719280588 WCIQPUNXLZRNFT-WCVJEAGWSA-N 375.425 -0.483 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cn(C3COC3)nn2)CC1 1722444399 JFJDSXZOZIHEGP-UHFFFAOYSA-N 384.444 -0.237 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC(C)C 1740630020 DKSJLKFARQXENK-ZDUSSCGKSA-N 380.474 -0.514 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCN([C@H](CC)CO)CC1)c1cc[nH]n1 1772930345 GLVCHIOXMJPGIQ-CYBMUJFWSA-N 381.433 -0.391 30 10 GBEE C[C@H](C#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(C)(=O)=O 1909689896 LFUAQDYPMKBVBP-GMTAPVOTSA-N 381.476 -0.150 30 10 GBEE C#CCN(C)CCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249460247 TYGPNJZXJHLSKE-HNNXBMFYSA-N 397.453 -0.150 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCN)CCN)OC1(C)C 2255794963 QNPQQDXILCFTPJ-UHFFFAOYSA-N 375.325 -0.045 30 10 GBEE C#CCOCCONS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282863860 XIVMTEAPOVFUNF-UHFFFAOYSA-N 385.251 -0.421 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1n[nH]cc1CN 2380428379 PBNIZIZIMAGVNR-UHFFFAOYSA-N 382.255 -0.298 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)nc1 292231695 AZDJGTGGIXYRPX-OAHLLOKOSA-N 396.451 -0.081 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2(O)CCOCC2)CC1 408308675 JDQCKPGRMCLORU-UHFFFAOYSA-N 379.438 -0.067 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 466191459 BRSPULRHAIEHNF-UHFFFAOYSA-N 389.456 -0.320 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCCC[C@@H]2CC)CC1 554461443 ISEKUVIGPAXYCP-KRWDZBQOSA-N 393.532 -0.187 30 10 GBEE N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 568692325 MGZUOURMERBERA-MRXNPFEDSA-N 393.469 -0.721 30 10 GBEE C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)C1 595991899 UIXVPUWRDMIWGO-ZRGWGRIASA-N 375.473 -0.145 30 10 GBEE C=C[C@](C)(O)C(=O)N1CCN(C(=O)C2CCN(C(=O)[C@](C)(O)C=C)CC2)CC1 621887918 RVIJKFZBDMZQRX-UXHICEINSA-N 393.484 -0.230 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nccc(OC)c2F)CC1 658446650 GOSIOOHFJJANAR-UHFFFAOYSA-N 393.419 -0.708 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)CC1 659262569 TVOOPYMOVGYYBL-INIZCTEOSA-N 388.472 -0.507 30 10 GBEE C=CCc1ccc(OC[C@@H](O)CN2CCN3[C@@H](CNS3(=O)=O)C2)c(OC)c1 933104748 WZNLIOOHOKVYIQ-HOTGVXAUSA-N 397.497 -0.002 30 10 GBEE C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC)[C@@H]1CCS(=O)(=O)C1 1324008895 VSKCSKCGHRYWCF-NWDGAFQWSA-N 389.503 -0.465 30 10 GBEE CN(C)C1CCN(CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1324462937 HSXPTLJWDJSRFR-WUKNDPDISA-N 378.477 -0.162 30 10 GBEE C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1343401565 LLYKNDVJTNSUJG-RQJABVFESA-N 395.485 -0.294 30 10 GBEE C=C(C)Cn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CCN2CCOC[C@H]2C1 1345961296 DBTHRXAOLCWRPJ-OLZOCXBDSA-N 375.433 -0.402 30 10 GBEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1595405075 BDTSVMONAZWVMI-ZDUSSCGKSA-N 383.474 -0.339 30 10 GBEE CCN1CCN(C[C@@H](C)CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1627134623 FEFLFYKTPYPVCN-AWEZNQCLSA-N 376.461 -0.400 30 10 GBEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OC 1638833079 ZRAIIZHUQATPAF-CQSZACIVSA-N 396.469 -0.190 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC(C)C 1690033383 WJVDMLDFEBTEBX-AWEZNQCLSA-N 394.501 -0.124 30 10 GBEE C#CCNC(=O)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1701250665 ZERBMGYVBAKDOR-GRDNDAEWSA-N 377.441 -0.979 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1705897447 MNNOHGQZMXCWBT-VXGBXAGGSA-N 383.478 -0.214 30 10 GBEE CON(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1750159200 PUQFJCOQQHURRU-WYMLVPIESA-N 377.405 -0.060 30 10 GBEE COC1CCN(CC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)CC1 1856026081 XSJKCFISXLKSDB-UHFFFAOYSA-N 386.474 -0.600 30 10 GBEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1962823782 SSRBJDGNEXFFFV-KBPBESRZSA-N 377.445 -0.079 30 10 GBEE C#CCCN1CCN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 2197479809 CNKQZVRHNPWLCW-DNVCBOLYSA-N 381.473 -0.113 30 10 GBEE CC1(C)OB(c2cccc(C(=O)NCCCNS(N)(=O)=O)c2)OC1(C)C 2199703072 XVMMOBKCFZUECU-UHFFFAOYSA-N 383.279 -0.101 30 10 GBEE 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C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539071980 ILHNSCPJSHUHAK-LSDHHAIUSA-N 386.456 -0.268 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)cc1 1540371134 SQKXXUIZDOQFPR-HNNXBMFYSA-N 376.438 -0.884 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1 1557897328 QQIKUNHOHGNDKH-QZTJIDSGSA-N 389.433 -0.277 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](CO)[C@H](O)C3)C2=O)cc1 1638461002 MERAWPUKDGWNRF-NUEKZKHPSA-N 386.408 -0.035 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nnc(SC)s2)CC1 1681778925 IANYDBJIZNJXLU-UHFFFAOYSA-N 390.516 -0.445 30 10 GBEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)no1 1692993979 FVDNQYYJVHWCPX-DGCLKSJQSA-N 395.445 -0.038 30 10 GBEE CNS(=O)(=O)CCn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729739174 UMCPKJSRVQQKNS-UHFFFAOYSA-N 377.430 -0.329 30 10 GBEE CO[C@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2277914443 ASHBYKDQRFBSHS-JTQLQIEISA-N 392.308 -0.131 30 10 GBEE CO[C@@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2277920763 RUSCNZAZEGWWKE-SNVBAGLBSA-N 375.256 -0.995 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]2CNC[C@@H]21 2282352146 KPQLXEALSUITOH-NEPJUHHUSA-N 382.295 -0.298 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CNCC[C@H]3O)c2)OC1(C)C 2282407861 DHKBPMZMOYMPRT-ZIAGYGMSSA-N 383.279 -0.618 30 10 GBEE CCN(C)C(=O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282833568 IUMURVWOSUANFI-UHFFFAOYSA-N 386.283 -0.524 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCn2cnnn2)OC1(C)C 2282844591 GIERPPVICONYCG-UHFFFAOYSA-N 379.251 -0.049 30 10 GBEE CN1C[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2282845090 MYSLMOHUOPHSHB-UONOGXRCSA-N 382.291 -0.061 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCOCC1(C)C 2282847170 VFYHRNYWDYVRNM-UHFFFAOYSA-N 386.283 -0.086 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CNC(=O)O1 2282850660 RNVDTSPKCDJAFD-SECBINFHSA-N 386.239 -0.894 30 10 GBEE 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COCCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCOC1 427928373 DHIYXTNJFZAIMG-INIZCTEOSA-N 398.423 0.400 30 10 GBEE CC(=O)N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 565232195 YOQOQQANGLBJST-UHFFFAOYSA-N 386.455 -0.659 30 10 GBEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)CN1CCO 577113767 RQCGQFALQMVTCC-KBPBESRZSA-N 380.470 -0.250 30 10 GBEE CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nn1 750389929 GPWOPMMRISCAOX-UHFFFAOYSA-N 376.398 -0.502 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 787402546 ZABKXYKBWLBQDL-UHFFFAOYSA-N 394.472 -0.765 30 10 GBEE N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 843459434 FBWKJNSMSJUZRS-QMIVOQANSA-N 382.486 -0.676 30 10 GBEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C1CCOCC1 856107870 WHYJZXTZFHELBM-LRDDRELGSA-N 393.465 -0.003 30 10 GBEE C=C1[C@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 900945902 KJLYHSJQZNMWLW-VVDPLQPHSA-N 386.452 -0.452 30 10 GBEE CNC(=O)COc1cccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1134274889 DDIDXUIFRHCJMR-KSSFIOAISA-N 391.449 -0.249 30 10 GBEE C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1290192496 MRATVHPDOFUBSS-KSPMYQCISA-N 391.468 -0.422 30 10 GBEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1cc(C#N)c(O)nc1=O 1301680752 GMNKKVBLHQEFMD-FQEVSTJZSA-N 397.435 -0.084 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 1325959553 BWKPGCXFAFXZII-KBPBESRZSA-N 391.424 -0.117 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1348434352 GCBBVMZGNFMBHD-HZPDHXFCSA-N 397.497 -0.300 30 10 GBEE C#CCN(C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1352768546 ZKWWTFNBXVYNLO-CABCVRRESA-N 383.470 -0.402 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2CC2)CC1 1359035627 ZBZOSFVVMZUICC-HNNXBMFYSA-N 385.472 -0.489 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CCN(C)C)c2)CC1 1466958946 SUBNQSNWEWTBRZ-UHFFFAOYSA-N 383.478 -0.938 30 10 GBEE C#CCN(c1nnc(COCC)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507636771 DGAZTRLITVLTMY-AWEZNQCLSA-N 397.501 -0.034 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540871265 HTQGYBOAEIGQPG-QWHCGFSZSA-N 383.474 -0.293 30 10 GBEE CN(C)C1CCN(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1564486433 HREBMUBPVGNRHR-WMLDXEAASA-N 383.518 -0.408 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1595537681 VYFRKTSJYBZSAT-UONOGXRCSA-N 399.459 -0.036 30 10 GBEE C=CCNC(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1595602248 HOXNDCHETGYBOR-RDTXWAMCSA-N 390.444 -0.039 30 10 GBEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1648004967 IEKBUTFTSIBNNY-LBPRGKRZSA-N 382.442 -0.049 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1683538451 DTKPPBNWYLYJSG-WCVJEAGWSA-N 378.429 -0.784 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)CCOC)CC1 1690122416 QCRLEXAKYYCVCT-DNVCBOLYSA-N 390.488 -0.228 30 10 GBEE C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CS(=O)(=O)NC)cn1 1702980112 BOSRBBCAQZLOEX-KFWWJZLASA-N 376.438 -0.526 30 10 GBEE C#CCN(c1nnc(C(C)C)n1Cc1nnn(C)n1)[C@H]1CCS(=O)(=O)C1 1705559476 BCOYYRHVDPMWCT-LBPRGKRZSA-N 378.462 -0.400 30 10 GBEE C#CCN(c1nnc(CC)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748817619 NEYOAMZWTLCQPT-CQSZACIVSA-N 379.486 -0.007 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1760516506 PDIWJFOFHUOTGA-LBPRGKRZSA-N 386.478 -0.583 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1760523298 SNMIMHWRJXEOBU-UHFFFAOYSA-N 399.459 -0.111 30 10 GBEE CNC(=O)[C@@H](C)CN(C)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1769117892 KSYPSEFITPVUGB-NLPIWRNCSA-N 375.433 -0.069 30 10 GBEE C#CCNC(=O)CNC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2188803071 XEUPLYVKFSBFSR-NEPJUHHUSA-N 382.417 -0.112 30 10 GBEE CC(C)(C#N)CS(=O)(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2218608411 HQOPLLVOMBGBIF-UTUOFQBUSA-N 377.463 -0.203 30 10 GBEE CC(C)S(=O)(=O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2269016876 QSHNWQJXZHSVDZ-UHFFFAOYSA-N 394.284 -0.869 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@](O)(C(=O)O)[C@@H](O)C2)C1 2281238277 YWWYLVRIJMMROV-QKKLBDLISA-N 382.413 -0.298 30 10 GBEE Cn1ncc(C(=O)N2CCS(=O)(=O)CCO2)c1B1OC(C)(C)C(C)(C)O1 2281828525 LLNFHTJFHKAMFW-UHFFFAOYSA-N 385.251 -0.479 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](CN)C(F)(F)F 2282326248 PNQFGPFCYWDQST-ZETCQYMHSA-N 399.204 -0.718 30 10 GBEE C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282331226 KXVMOSHRDNTPRP-RYUDHWBXSA-N 384.311 -0.052 30 10 GBEE Cn1nc(C(=O)NC[C@@]2(O)CCNC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282545136 HDQOLDMNGLSZJD-MRXNPFEDSA-N 384.673 -0.173 30 10 GBEE COC(=O)C[C@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282834072 OUKLFBJFUZRJAX-JTQLQIEISA-N 387.267 -0.051 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CC3(C2)C[C@H]3N)n1 2282841828 QCRPWEYRQMGRKL-YZKWQOGNSA-N 382.295 -0.123 30 10 GBEE 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C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](OCCOC)C2)CC1 459881144 CVYBEZGOBILVQY-MRXNPFEDSA-N 396.488 -0.913 30 10 GBEE N#CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 511031537 QWNDMVIYFDNJSW-UHFFFAOYSA-N 386.455 -0.611 30 10 GBEE COCC1(O)CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)C1 565726734 XMBAGJRAOYVQCA-UHFFFAOYSA-N 389.455 -0.788 30 10 GBEE CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 619762453 FORSMYRVDFISSG-UHFFFAOYSA-N 378.458 -0.135 30 10 GBEE Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O 781402056 FKVFUAFTUHTZJN-UHFFFAOYSA-N 382.376 -0.004 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 806690207 VQQBOHCZLZBBJU-HNNXBMFYSA-N 394.472 -0.765 30 10 GBEE COCCNC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 846687382 NBTVVGOSGAACCJ-UHFFFAOYSA-N 380.470 -0.048 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1128963100 ZNQNFTQSUVZJLE-RFHZTLPTSA-N 375.381 -0.546 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 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WOWAVENVYQXJDB-UONOGXRCSA-N 382.291 -0.095 30 10 GBEE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282846100 DJPXQRAGQJEUEY-SNVBAGLBSA-N 384.267 -0.772 30 10 GBEE CCC(CO)(CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854806 WHIWZKQWSCBRTJ-UHFFFAOYSA-N 389.283 -0.869 30 10 GBEE CCC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284394363 XKVCBWHNMLVQPW-VIFPVBQESA-N 388.255 -0.354 30 10 GBEE C=CCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 17116008 NKMVKADYEWRSQY-UHFFFAOYSA-N 388.471 -0.464 30 10 GBEE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 414571956 AXFNDURZWHSAIZ-SZMVWBNQSA-N 386.452 -0.169 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1 484022273 WNLFSPUQTBQZMV-UHFFFAOYSA-N 376.461 -0.072 30 10 GBEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)N4CCOCC4)CC3)n2c1 506614776 WIHACAGOVAUWIH-UHFFFAOYSA-N 390.469 -0.099 30 10 GBEE N#Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)C2)c(=O)nc1O 530266499 KLDJERIXKOKUDB-GFCCVEGCSA-N 394.391 -0.352 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 579240013 XBJFOMNASWJKGV-GOSISDBHSA-N 399.495 -0.483 30 10 GBEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)C[C@@H](O)C2)CC1 611429974 MNYSJBSEKZRBMB-FGTMMUONSA-N 376.432 -0.038 30 10 GBEE C=CCNC(=O)CN1CCN(CCCN2C(=O)CS/C2=C\C(=O)OC)CC1 745455740 IOKYZKMYBQGBSK-ATVHPVEESA-N 396.513 -0.114 30 10 GBEE Cn1cc(S(=O)(=O)NN=C2CCCC[C@@H]2[C@H]2CCOC2)c(=O)n(C)c1=O 814883409 MRARHXXSFYZKOH-NWDGAFQWSA-N 384.458 -0.055 30 10 GBEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1214595311 VIFVLZWAAUKUHS-GFCCVEGCSA-N 383.426 -0.168 30 10 GBEE C#CCN(C(=O)C(=O)NCCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1261167840 YZZHXFMAPBFMNB-LBPRGKRZSA-N 383.401 -0.635 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1300664754 FGMDRVXHDIKEOW-CYBMUJFWSA-N 383.474 -0.250 30 10 GBEE C#CCSCCNC(=O)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1323991427 UWLGNSJAQMTBEO-GOSISDBHSA-N 388.449 -0.160 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@@H](C)[C@@H]1O 1327392229 WDXUXHKHSQHGFD-KNCOVGOOSA-N 386.456 -0.139 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1cnc(C2CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1346969079 ZMTXKQLDXAOWHB-OAHLLOKOSA-N 390.465 -0.338 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1351640920 BJAICJWNWANSAU-KUHUBIRLSA-N 395.456 -0.011 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1358968763 XYXDVFNYHKPUBJ-UHFFFAOYSA-N 378.458 -0.864 30 10 GBEE C[C@@H](NS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(C#N)c1 1490781969 XDURXJAUHSUKEZ-JXJLXUTGSA-N 379.442 -0.314 30 10 GBEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)c2nnn(C)n2)CC1 1506351003 YMDAVVUQRAQNBM-LEOABGAYSA-N 384.440 -0.300 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1558074552 CSBOMGHAJUNFDE-ZDUSSCGKSA-N 388.490 -0.241 30 10 GBEE C[C@]12CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C[C@H]1CS(=O)(=O)C2 1559041694 ZAOAIZPPHSSFDF-XJKSGUPXSA-N 397.478 -0.270 30 10 GBEE Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n(C)c1=O 1624816718 JZYDDKXTVPKWRZ-OAHLLOKOSA-N 392.419 -0.021 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3ccccc3)c2C)CC1 1636479751 FXGWXHXMNXYUCC-UHFFFAOYSA-N 388.453 -0.199 30 10 GBEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1674332604 PLAPGMMNHOMQNF-ZDUSSCGKSA-N 391.476 -0.341 30 10 GBEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cn3ncccc3=O)C(=O)C2)cc1 1854011749 IKDMXHMVLGUCBO-UHFFFAOYSA-N 379.376 -0.331 30 10 GBEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3COCCO3)C2)C1 1856411130 YRXRPDMCGBQXGP-GUYCJALGSA-N 386.408 -0.193 30 10 GBEE C=C(CS(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)B1OC(C)(C)C(C)(C)O1 2267473105 AFXPRZRYBVBHCO-RYUDHWBXSA-N 395.308 -0.095 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCS(=O)(=O)CCN1 2282173513 JXMQRYUPSAETFT-UHFFFAOYSA-N 383.279 -0.301 30 10 GBEE C[C@@H]1CCOC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282323194 XDCBXLUSOKRHER-GHMZBOCLSA-N 386.283 -0.182 30 10 GBEE CO[C@H]1COC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505961 LMZOKVAOIUZEKN-NEPJUHHUSA-N 387.267 -0.589 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CNCC2(C)C)n1 2282838949 WUUQOYUUGWISBT-GFCCVEGCSA-N 384.311 -0.004 30 10 GBEE CO[C@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282846765 OEYQPFMBYTZOMV-MNOVXSKESA-N 386.283 -0.040 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCNC1 2282854882 XCDLIUXKVBKIBY-GFCCVEGCSA-N 384.311 -0.003 30 10 GBEE CO[C@H]1C=CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282864452 GFAOSWCRDQSPPK-NSHDSACASA-N 384.267 -0.310 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H]2CN[C@H]1C2 2359274266 NQWWKZKZGCHAPE-WOPDTQHZSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2sncc2C(=O)NCC(=O)N2CCNCC2)OC1(C)C 2362508164 KZVOEWWJLBUCAV-UHFFFAOYSA-N 380.279 -0.396 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)NC1CC=CC1 349594547 SKWZMIKAXVPZJA-CQSZACIVSA-N 377.488 -0.041 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccn2)C(=O)OCC)C1=O 469952056 DOEGRLXRCOZBGK-ZDUSSCGKSA-N 388.380 -0.351 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 570249098 UISYQPRMLVULFB-KRWDZBQOSA-N 391.516 -0.434 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 583097987 ASMABJMECRRIFN-OAHLLOKOSA-N 379.424 -0.001 30 10 GBEE C#CCN(C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 800747557 LLISRIIVODHSIW-HZSPNIEDSA-N 391.515 -0.464 30 10 GBEE CC#CCS(=O)(=O)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 810772715 BINSBZAOYHOSBQ-MRXNPFEDSA-N 389.433 -0.069 30 10 GBEE C=C1[C@@H](C(=O)NCCCN2CCOCC2)[C@@H]1C(=O)NCCCN1CCOCC1 864830472 HCMFDXJMJCUSRO-QZTJIDSGSA-N 394.516 -0.534 30 10 GBEE C#CCN(C1CCN(S(=O)(=O)N(C)CC)CC1)S(=O)(=O)N(C)CC 872513442 OFIJYDHRXABCEL-UHFFFAOYSA-N 380.536 -0.221 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CCN(C)CC1 910882014 AUUUSIGJFUKWCA-QGZVFWFLSA-N 376.501 -0.277 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1157760040 HMOGNDAEQZKIQJ-KSTCHIGDSA-N 389.408 -0.157 30 10 GBEE 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30 10 GBEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740947233 UTCQXFYRIBIAJQ-ZIAGYGMSSA-N 383.474 -0.293 30 10 GBEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1760294381 VESOODGLOUZAMG-MLGOLLRUSA-N 380.474 -0.230 30 10 GBEE C#C[C@]1(O)CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)C1 1890720946 HUIBCVYAVXISSH-GUYCJALGSA-N 386.470 -0.089 30 10 GBEE O[C@H]1[C@H](O[C@H]2[C@@H]3O[C@@H]3[C@@H]3OC[C@H]2O3)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 2081159562 LYXNVXVKRZBOEZ-ONKDVUMXSA-N 394.376 -0.545 30 10 GBEE CN(CCC#N)C(=O)CCN1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2174572045 YAMJKJULTLAAQY-QWRGUYRKSA-N 377.367 -0.397 30 10 GBEE N#CC1(CS(=O)(=O)N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)CCC1 2174783809 GVMSXAIFHKKUNH-ZJUUUORDSA-N 396.391 -0.136 30 10 GBEE CNC(=O)[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267469688 AIVQILBMXXMFHM-VIFPVBQESA-N 389.308 -0.004 30 10 GBEE C[C@@H]([C@@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)S(C)(=O)=O 2282187971 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386.283 -0.334 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@](O)(CO)[C@H](O)C3)cs2)OC1(C)C 2282200686 OAOPXPUZCQNNBE-PXAZEXFGSA-N 383.275 -0.023 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2CNC[C@@H]21 2282304939 RDEXGKUWTLSFBF-OUAUKWLOSA-N 383.283 -1.000 30 10 GBEE CO[C@H]1C[C@@H]1CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282319330 RMCGOUPSMLKLMK-MNOVXSKESA-N 386.283 -0.230 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1nnc(O)n1C 2282329949 SZVZIITVWAHFIJ-UHFFFAOYSA-N 384.227 -0.646 30 10 GBEE Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)oc1B1OC(C)(C)C(C)(C)O1 2282579005 YZIGRGGHSVBRQM-MNOVXSKESA-N 385.247 -0.225 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1(O)CNC1 2282859536 NPPDGBCVZFHWGS-GFCCVEGCSA-N 382.291 -0.013 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)C(=O)O)c(F)c2)OC1(C)C 2284399542 LOALAIAVLUYNNB-NSHDSACASA-N 389.210 -0.151 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)[C@@H](O)[C@@H]3C(=O)O)ns2)OC1(C)C 2359399456 DVOITLLKBVXRNE-FBIMIBRVSA-N 384.219 -0.927 30 10 GBEE C/N=C(/NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(CCC(=O)N(C)C)CC1 261969704 MLOUNUJEURETTE-INIZCTEOSA-N 390.536 -0.180 30 10 GBEE C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 420049020 XZYBXIIDFPOOII-DZGCQCFKSA-N 386.456 -0.169 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CNS(C)(=O)=O)CC2)CC1 510192341 MZNYMHWAPXLAET-KRWDZBQOSA-N 399.561 -0.060 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(=O)n3ccccc3n2)CC1 584844270 RSCJVUMMXHPLJX-UHFFFAOYSA-N 384.440 -0.176 30 10 GBEE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594484228 HEWQKYMKNNYXAD-LLVKDONJSA-N 386.455 -0.361 30 10 GBEE C#CCN(C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 729333217 RXOOWPVMCZIFSB-STQMWFEESA-N 381.454 -0.112 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1=O 754792112 AYFOXXLYNGMCFR-OWCLPIDISA-N 392.456 -0.231 30 10 GBEE CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 765556226 XKIHSAOECDAVMT-MRXNPFEDSA-N 377.470 -0.052 30 10 GBEE C#CCN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 774198216 UGKZJPQMJJIYGR-HZPDHXFCSA-N 398.529 -0.239 30 10 GBEE O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCN(O)C1=O 820174563 KPWHQLAQTZIULJ-GFCCVEGCSA-N 399.425 -0.377 30 10 GBEE COc1cc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)ccc1C#N 832794853 QZNHBSGKAXTUDC-UHFFFAOYSA-N 384.396 -0.331 30 10 GBEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1 843463090 UQBMJQXYSHGLJK-KBPBESRZSA-N 380.474 -0.345 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 1116543825 DVIIFNBDPJOPFL-OAHLLOKOSA-N 391.428 -0.516 30 10 GBEE C#CC1(O)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1179982804 UEQCEMWKSOEESQ-CQSZACIVSA-N 379.394 -0.046 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1291924469 GITIYSAJWACVIJ-RZFFKMDDSA-N 380.445 -0.922 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)NCc2cc(F)cc(F)c2)c(=O)n1CCO 1307388536 FRWNMAANABVBTF-UHFFFAOYSA-N 378.335 -0.223 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCNCCC23CCOCC3)CC1 1335303579 YIMUEAPWMFPUGI-UHFFFAOYSA-N 390.484 -0.655 30 10 GBEE COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)n1 1335492512 VCPCRZGWPLOCQH-HNNXBMFYSA-N 399.455 -0.667 30 10 GBEE COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C#N)c(SC)nc1O 1336183492 VGMNEZBEWMZDRW-JTQLQIEISA-N 385.423 -0.207 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCN(C(=O)COC)CC1 1342180623 QTHOFWTZVPBZAE-CYBMUJFWSA-N 394.501 -0.467 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H]1CCOC1 1349261267 YZSUFHWONUDJIZ-GDBMZVCRSA-N 390.488 -0.065 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1471451645 WQKFQVUTOLLMNK-UHFFFAOYSA-N 378.410 -0.757 30 10 GBEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1558507884 MRDSDWTXZHLUCL-QWHCGFSZSA-N 386.474 -0.346 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](CO)[C@@H](O)C3)C2=O)cc1 1638461000 MERAWPUKDGWNRF-IMJJTQAJSA-N 386.408 -0.035 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1705891058 WRRFMIIMOVCRBJ-NEPJUHHUSA-N 386.478 -0.503 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C 1705904818 ZIXRDWWAKOYDMB-OLZOCXBDSA-N 383.474 -0.293 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1749672546 XMKUVYXZXBCHRO-UHFFFAOYSA-N 389.504 -0.113 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281957726 ORRNIWDWTYFNAZ-ZJUUUORDSA-N 384.267 -0.723 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2nnc(CO)s2)n1 2282042434 HADWFBUYZZRJSB-UHFFFAOYSA-N 379.251 -0.007 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCNC1 2282308464 RKVNHVRMQMNDMI-QWRGUYRKSA-N 385.299 -0.609 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@@H]1CN 2282350777 RTEKFHVSKWSBPH-NEPJUHHUSA-N 384.311 -0.065 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC1(CO)CNC1 2282506802 XQMNFBACBSMMCP-UHFFFAOYSA-N 382.291 -0.093 30 10 GBEE C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282507687 LFLGVAJQABLDBJ-YPMHNXCESA-N 384.311 -0.052 30 10 GBEE C[C@@H]1COC[C@@H](C)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282831108 FGJQELGQKRPVGB-GHMZBOCLSA-N 386.283 -0.088 30 10 GBEE COCC[C@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867863 FIRLJWMLIRHBOX-LLVKDONJSA-N 389.283 -0.605 30 10 GBEE CC(C)(C#CC(=O)N[C@H](CS(C)(=O)=O)C(=O)O)NC(=O)OC(C)(C)C 2313893317 CORACJLRDOCMGN-SNVBAGLBSA-N 376.431 -0.093 30 10 GBEE CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2nncc2C1 349541841 WMVJSOJNSPSFEC-LBPRGKRZSA-N 390.491 -0.623 30 10 GBEE CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2nncc2C1 349543497 ZBKFAQICOGIQDW-CYBMUJFWSA-N 390.491 -0.719 30 10 GBEE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 422132809 HZPZUABEFGXXIR-SJORKVTESA-N 383.452 -0.183 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2COCCO2)c1 518398039 YINQHPVDYMJOBD-LBPRGKRZSA-N 389.455 -0.476 30 10 GBEE Cn1c(=O)n(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccc21 530268173 UMEADZIGZAHUGI-UHFFFAOYSA-N 380.364 -0.443 30 10 GBEE CCN1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC1=O 563551446 YVXPCTBPANESOL-UHFFFAOYSA-N 386.455 -0.359 30 10 GBEE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 584864855 ZGTCCDWAERQBAT-HUUCEWRRSA-N 384.440 -0.367 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)CC1 656347935 YNZVEVBQPMDFJS-FUHWJXTLSA-N 392.500 -0.103 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@](C)(C3CC3)C2)CC1 658446918 JBPOVRRONVNROH-LJQANCHMSA-N 378.473 -0.540 30 10 GBEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 746246326 CKZLANOVHSITDA-CYBMUJFWSA-N 381.458 -0.248 30 10 GBEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 774170137 DWCAAXJYMYUEID-AWEZNQCLSA-N 399.494 -0.073 30 10 GBEE Cc1nccc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787787261 IGMIIQJMXGFWRI-UHFFFAOYSA-N 394.439 -0.071 30 10 GBEE C#CC[C@@H](COC)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 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375.491 -0.130 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NCc2n[nH]cc2Br)CCN1C1CC1 1331013311 JOGFEOYSBRSLOJ-SNVBAGLBSA-N 381.234 -0.013 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@@H](c4cccnc4)C3)C2)c(=O)nc1O 1331447648 OAXSFUKNFVDUEZ-CYBMUJFWSA-N 394.391 -0.385 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1338862952 JYNJMUVAUTZUPJ-KGLIPLIRSA-N 389.460 -0.060 30 10 GBEE C=CCn1c([C@H](CC)CO)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1338967301 IFZOSRWISGTSPW-MRXNPFEDSA-N 392.504 -0.069 30 10 GBEE C=CCn1c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)nnc1[C@]1(C)C[C@H](O)CN1C 1339196359 LMXKKLIDLNJOQP-LOUJCGABSA-N 381.502 -0.144 30 10 GBEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(C)C[C@H](O)CN1C 1340703565 XXHWKXHVYGDHER-KBXCAEBGSA-N 378.477 -0.329 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C1 1341631309 XESHLNQEVIAZDE-SYQHCUMBSA-N 388.486 -0.521 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)OC)[C@H](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1346232040 LLVVEQUYOPOUEP-QLFBSQMISA-N 396.465 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30 10 GBEE C#CCC1(O)CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 1479282160 OJOVMMCVXGEGEA-UHFFFAOYSA-N 386.452 -0.021 30 10 GBEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCOCC1 1540897325 GVYOMEWYZRAOSB-UHFFFAOYSA-N 383.474 -0.049 30 10 GBEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1558507880 MRDSDWTXZHLUCL-CHWSQXEVSA-N 386.474 -0.346 30 10 GBEE N#Cc1cn(CCC(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)nc1O 1629069107 PBMCBCIAHDHFIK-UHFFFAOYSA-N 379.380 -0.174 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(C)cn3c2=O)CC1 1650845918 BEDJYIISNUPGFU-UHFFFAOYSA-N 389.437 -0.772 30 10 GBEE CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1CC#N 1662514708 BAMJVJGSHUCBOS-CQSZACIVSA-N 395.437 -0.179 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c(OC)c2)CC1 1681669130 NUKAYHCYEDJYOG-UHFFFAOYSA-N 396.469 -0.001 30 10 GBEE N#CCNC(=O)CNCCC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1714276280 GZUHGHRXSWHETE-XYJFISCASA-N 378.473 -0.104 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1749668634 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30 10 GBEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)CC2)c(F)c1 1128726436 CNOYVTYULXYCPU-AWEZNQCLSA-N 395.412 -0.020 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 1128963098 ZNQNFTQSUVZJLE-HBJVGIJOSA-N 375.381 -0.546 30 10 GBEE C#CCN(c1nnc(C2CCN(CCO)CC2)n1C)[C@@H]1CCS(=O)(=O)C1 1262887959 IMYGLFYKSBVHRG-OAHLLOKOSA-N 381.502 -0.387 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCNC(=O)C1 1316703525 DKDFVUUNPAHLKJ-TWMKSMIVSA-N 392.500 -0.247 30 10 GBEE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1326532994 MOBOVDLVJYHAHZ-UONOGXRCSA-N 390.415 -0.046 30 10 GBEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1 1326808258 CCCNVEXUTGQKNZ-IRXDYDNUSA-N 392.500 -0.456 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 1330441533 JFYVUCNXUZRJFN-UTUOFQBUSA-N 375.347 -0.238 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)CC1 1334867578 YNVIHGPGFVMIPY-DKICVRJWSA-N 391.468 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COC(=O)CCN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 1635949097 QDSNNOBPUWEREN-NSHDSACASA-N 385.446 -0.381 30 10 GBEE N#Cc1cn(C2CN(C(=O)Cn3ncc4ccccc4c3=O)C2)c(=O)nc1O 1640636896 PBTPXUOURUXXCS-UHFFFAOYSA-N 378.348 -0.386 30 10 GBEE COC1(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CS(=O)(=O)C1 1649041038 NWXOBFPFDKYTDV-UHFFFAOYSA-N 382.394 -0.296 30 10 GBEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653073420 YPMSJGLFFXQQMC-TVQRCGJNSA-N 389.480 -0.286 30 10 GBEE COCc1nnc2n1CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2 1659314372 IUALHXYVYUUWPK-OAHLLOKOSA-N 375.477 -0.068 30 10 GBEE C=CCNC(=O)NC(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1673060073 SHWCCNLPRWIHET-YJNKXOJESA-N 380.445 -0.617 30 10 GBEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1728816186 HTKQMJFWLNWLAH-LBTNJELSSA-N 390.444 -0.062 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1741124711 GXMLPYTUMICRIA-MNOVXSKESA-N 381.466 -0.339 30 10 GBEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C2COC2)nn1 1749465713 WKCNAFQQAXEIET-NSHDSACASA-N 396.477 -0.278 30 10 GBEE CS(=O)(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1771353225 BQEWZYYNONQHJZ-RYUDHWBXSA-N 382.446 -0.607 30 10 GBEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 1865721979 GYXASPBPHWLQIR-LBPRGKRZSA-N 384.392 -0.214 30 10 GBEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(S(N)(=O)=O)C1 2267526514 TURQJOAQMUSIBD-UHFFFAOYSA-N 387.292 -0.136 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2(N)COC2)OC1(C)C 2267706846 GTAZQAHGRJGFFR-UHFFFAOYSA-N 389.308 -0.411 30 10 GBEE COCC1(O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282329209 JNTJFTMOBXYAFL-UHFFFAOYSA-N 387.267 -0.899 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3)n1 2282845737 YLNIFDFSRKPNIJ-TXEJJXNPSA-N 382.295 -0.156 30 10 GBEE C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282853841 JYDUIYLMEVLGQE-RYUDHWBXSA-N 384.311 -0.004 30 10 GBEE Cc1nc(S(=O)(=O)N(C)OCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284405759 PEYREKUMWJAIGL-UHFFFAOYSA-N 389.239 -0.336 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@H]1C(=O)O 2284416088 UCFOCJGBLUTOQS-VIFPVBQESA-N 386.239 -0.648 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NCCn2cc(CN)nn2)OC1(C)C 2287198572 OUIZVHODDPHSNA-UHFFFAOYSA-N 378.267 -0.078 30 10 GBEE Cn1cc(C=CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(=O)n(C)c1=O 2297375942 SOWXXQAHXQGGGJ-UHFFFAOYSA-N 380.408 -0.287 30 10 GBEE C=C(CS(=O)(=O)N[C@H](CS(C)(=O)=O)C(=O)O)B1OC(C)(C)C(C)(C)O1 2335461748 HKESUERBTTUTSE-SNVBAGLBSA-N 397.280 -0.409 30 10 GBEE CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C1 349484487 SAUKWPKBPQTWMT-CQSZACIVSA-N 379.504 -0.368 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(COC)(C(=O)OCC)CC2)C1=O 373626775 DIWKIUVNUWITRH-UHFFFAOYSA-N 395.412 -0.219 30 10 GBEE COc1cccc(N2C[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2=O)c1 410107284 SOUCYNFWGJNDTH-IUODEOHRSA-N 380.426 -0.141 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 516696459 ARSLXFCPKIJAQD-UHFFFAOYSA-N 386.499 -0.616 30 10 GBEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(=O)NC)C1 528294966 GVKMAUYXBCCUJX-CYBMUJFWSA-N 377.449 -0.166 30 10 GBEE Cc1cc(NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)nn1CCC#N 592310714 XEGLWISXGWYHCX-CYBMUJFWSA-N 375.433 -0.378 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCN1S(C)(=O)=O 595170241 QDGVUZGXMCCCHV-LLVKDONJSA-N 396.473 -0.059 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)C1=O 598155202 AHZYQSLWFCWJAN-QGZVFWFLSA-N 381.385 -0.420 30 10 GBEE C#C[C@@H]1COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 838266804 JVNWDPCNDCDLMN-CYBMUJFWSA-N 378.406 -0.048 30 10 GBEE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CCO1 861997357 JMLYOTMGQGKTBS-CQSZACIVSA-N 375.385 -0.316 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1OC 941975245 JALWUBBBIJOPGN-CFAJVAMVSA-N 393.440 -0.638 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 1117987952 NOJAAYSELATNMZ-QGZVFWFLSA-N 384.436 -0.370 30 10 GBEE C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156669619 FIUDECOAUDOIHS-MJFSBKNWSA-N 383.470 -0.561 30 10 GBEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN3CCOC[C@@]3(CO)C2)cc1 1304049857 OZATZQDSCSHQMD-SFHVURJKSA-N 393.465 -0.621 30 10 GBEE COc1ccccc1C(=O)NCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304270346 FEDUZZFNBSWSOH-YVEFUNNKSA-N 377.422 -0.178 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1C[C@H](OCC)[C@]12CCCO2)[C@@H]1CCS(=O)(=O)C1 1323808752 SBBQVSBRTZKPIN-BSXFFOKHSA-N 398.481 -0.522 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H](CC(=O)OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1328262636 URIBCVUVBJXASS-ZIAGYGMSSA-N 384.454 -0.659 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(N)CCOCC2)n1 1329469674 MVQRRSIOEWUTJS-UHFFFAOYSA-N 377.445 -0.885 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1342013615 FQCIBEGCNSTBGE-QGZVFWFLSA-N 398.463 -0.108 30 10 GBEE C#CCN(CC#CC)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@@H]1CCCO1 1348027296 DIAGHCODYPAPTF-HNNXBMFYSA-N 396.451 -0.016 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)CC1 1348275058 MEPKCNMVYOSQNP-UHFFFAOYSA-N 390.484 -0.168 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1349322307 ROHFXJARXBLHDM-CVEARBPZSA-N 387.436 -0.063 30 10 GBEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1539118049 FPOIORFYSDCJBD-OGHNNQOOSA-N 383.470 -0.343 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1541678672 GTLWVFPXWWTGRV-XNJGSVPQSA-N 378.433 -0.315 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)CC1 1643372228 BPCYUEIFJCCMSD-ZDUSSCGKSA-N 393.473 -0.825 30 10 GBEE C#CCNC(=O)C1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 1662993730 JIKNQKNFPTWRCH-UHFFFAOYSA-N 378.516 -0.009 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC 1705628979 UHVRICXTIDFQPV-AWEZNQCLSA-N 385.490 -0.193 30 10 GBEE C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CNC(C)=O 1736540543 HMNMCSMBRYYNDT-OAGGEKHMSA-N 376.457 -0.320 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)C)CC1 1740705488 HNKOTGKZAIWBCD-HNNXBMFYSA-N 388.472 -0.164 30 10 GBEE C#CCOC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1849195543 SYQZFSRJRBGYRE-UHFFFAOYSA-N 380.422 -0.044 30 10 GBEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3cc(=O)n4ccccc4n3)C2)CC1=O 1854782764 XYEZWAIDXPTCKK-INIZCTEOSA-N 394.435 -0.147 30 10 GBEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267712101 UAGDQCRZXROFST-CCGUKBGLSA-N 391.324 -0.235 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCc2cc[nH]n2)n1 2282497837 VLWBPZYQCBWVHM-UHFFFAOYSA-N 381.267 -0.037 30 10 GBEE Cn1nc(C(=O)NC2(C(=O)O)CNC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282553976 WUZDRWZKLUDWDC-UHFFFAOYSA-N 384.629 -0.471 30 10 GBEE Cc1ccc(S(=O)(=O)NCC2(O)CNC2)c(B2OC(C)(C)C(C)(C)O2)c1 2282825357 IWIYZAMBYPSMKU-UHFFFAOYSA-N 382.291 -0.093 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@H]1CCOC1 2282846435 JREVNHSPIJZSTP-NSHDSACASA-N 386.283 -0.181 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3C[C@@H](O)C[C@@H]3O)c2)OC1(C)C 2282861501 OVUREFBXGCROOB-BNOWGMLFSA-N 384.263 -0.457 30 10 GBEE Cc1nc(S(=O)(=O)N[C@H]2CNC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282882378 KUDYHOJGHNAXEI-JQWIXIFHSA-N 384.311 -0.086 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@H](O)[C@@H](CO)C3)cs2)OC1(C)C 2289410377 ZAHITGDEYJIREE-MBNYWOFBSA-N 383.275 -0.167 30 10 GBEE C/N=C(/NCCNS(=O)(=O)c1cccnc1)N1CCC[C@@]2(CNC(=O)C2)C1 261749637 LRCCMTFJSXLMIL-QGZVFWFLSA-N 394.501 -0.463 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)c1 572303340 FAVUFIBCMJQSKX-QWRGUYRKSA-N 386.455 -0.614 30 10 GBEE CC(C)n1cnc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 593570760 KDTRERGDEZFSKV-GFCCVEGCSA-N 383.416 0.196 30 10 GBEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCCC1 758975834 WRLMDECJIMNYOH-UHFFFAOYSA-N 384.502 -0.123 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(OC)nc1OC)[C@@H]1CCS(=O)(=O)C1 783480633 SAGRFCSUNWQIIX-LLVKDONJSA-N 381.410 -0.314 30 10 GBEE 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C#CCNS(=O)(=O)N1CCN(c2nnnn2C/C=C/c2ccccc2)CC1 1337333512 LTURWQOQBSYGAA-RMKNXTFCSA-N 387.469 -0.024 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1351221363 WBXITKQNBILVAD-HNNXBMFYSA-N 379.438 -0.917 30 10 GBEE C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CS1(=O)=O 1565031353 VDLUZAKDSCGZAD-CIQGVGRVSA-N 375.472 -0.468 30 10 GBEE C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1565448809 BFWXIGUDCSOXBH-YXXKGXSTSA-N 384.454 -0.071 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCNC3=O)CC2)cc1 1624062014 HZXYJQLSJNYJMI-HNNXBMFYSA-N 376.438 -0.083 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 1690644481 NTNHBQKNGSLSLR-CQSZACIVSA-N 398.489 -0.535 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCO 1705551125 HEPQPGBGZLALFP-CQSZACIVSA-N 385.490 -0.157 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1 1719117477 VTFGHAZDIPGSNI-FPCVCCKLSA-N 381.473 -0.040 30 10 GBEE 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C[C@H](CS(N)(=O)=O)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2255539291 XIRINSYYHLCKPK-MRVPVSSYSA-N 375.281 -0.151 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2267485070 DBQPAXVXCWNYPZ-VHSXEESVSA-N 388.276 -0.670 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@](O)(C(=O)O)[C@H](O)C2)C1 2281238275 YWWYLVRIJMMROV-OCZKQGDKSA-N 382.413 -0.298 30 10 GBEE C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2281958320 SCEVLWGTUSQEBD-JTQLQIEISA-N 386.283 -0.381 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 2282322917 SLYYYMBWORUODM-JTQLQIEISA-N 384.267 -0.740 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CO1 2282842452 YSBHFXATQMSPLJ-GHMZBOCLSA-N 386.283 -0.088 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1ncon1 2282849924 IPHUVTPFKXPPOC-UHFFFAOYSA-N 383.239 -0.377 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CNCC12CC2 2282865025 OFLASHXVJXBGIN-SNVBAGLBSA-N 383.283 -0.855 30 10 GBEE 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C#CCN(C(=O)C(=O)NC[C@H](C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1261565959 RAEQHLIGENPLLU-QWHCGFSZSA-N 386.470 -0.271 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 1282749536 RVXZMTGIWBNUFR-JJXSEGSLSA-N 379.457 -0.068 30 10 GBEE COc1ccc(CN(C)C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 1327782143 FYKRHBKFOSILJB-NXVVXOECSA-N 387.396 -0.309 30 10 GBEE C#CCOc1ccccc1Cn1nnnc1N1CCO[C@H](CS(C)(=O)=O)C1 1334396942 ZNKARHFWDNARAN-HNNXBMFYSA-N 391.453 -0.017 30 10 GBEE C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1CC1 1338706115 FCWYYYLNSFHGON-ZDUSSCGKSA-N 388.428 -0.169 30 10 GBEE CN(OCC(F)(F)F)C(=O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1351157000 XEIDLAZOXMTYFP-VAWYXSNFSA-N 393.322 -0.236 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@H]1C 1359293225 KKUTYWXRPBXBPK-ZIAGYGMSSA-N 394.476 -0.029 30 10 GBEE COc1ncc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C#N 1471781008 HTBCGXNOMPTIGK-YPMHNXCESA-N 378.410 -0.064 30 10 GBEE 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30 10 GBEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N=c1nc(C#CCO)[nH]s1 1979348505 FVWBNOWQVSKHAM-UHFFFAOYSA-N 392.418 -0.658 30 10 GBEE CC(=O)C=C=C1C(C)(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 2333238514 OSUSRWMGHUUXBY-UDMYLZHKSA-N 386.441 -0.587 30 10 GBEE CC#CCN(CC(=O)O)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2337839175 OBUBZMCKASPJSD-ZDUSSCGKSA-N 388.442 -0.139 30 10 GBEE CN1CCO[C@@H]2CCN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21 328998129 WVNSTJLJBPGNRN-JKSUJKDBSA-N 392.460 -0.308 30 10 GBEE CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1OC 330592697 RSNCIQCEUBXXIE-UHFFFAOYSA-N 380.426 -0.199 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)OCC)CCOCC2)CC1 375671891 JXIMRVMVUWTCJY-UHFFFAOYSA-N 379.457 -0.370 30 10 GBEE COc1ccc(-n2cc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)nn2)cc1 409509521 JRSMVZGWPSVTIS-HNNXBMFYSA-N 378.414 -0.165 30 10 GBEE CN1NN=C2C1=NCC[C@@H]2C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 597561102 HEURMEOYUAFDSP-GJZGRUSLSA-N 379.424 0.000 30 10 GBEE 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C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322692835 HAJIPFBFHQLOHU-FRRXILTGSA-N 375.429 -0.772 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2COC(C)(C)O2)n1 1323980134 YPMMZGYMWAFYKL-HNNXBMFYSA-N 378.429 -0.241 30 10 GBEE CCC[C@@]1(CO)CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326595305 GFAVKOMQAPWAOE-JJJPLKNQSA-N 378.429 -0.217 30 10 GBEE C#CCN(C(=O)C(=O)NCCOc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1344821713 ZSHBGBQNOVIPBK-AWEZNQCLSA-N 394.449 -0.161 30 10 GBEE C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1347440638 KWDHTKLHBUOJRU-TUVASFSCSA-N 377.445 -0.189 30 10 GBEE CN1CC[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H](c2cnn(C)c2)C1 1470360109 CPUICYKAAKEJKC-GJZGRUSLSA-N 385.428 -0.594 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)C(F)(F)F)c1 1472597023 KNBIKVCVZJAQES-UHFFFAOYSA-N 399.372 -0.113 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1508087472 RLFRSEXVVSULDQ-UHFFFAOYSA-N 398.471 -0.037 30 10 GBEE 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10 GBEE C#CCN1CCC(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 1155873782 PUFNQENUVYANIH-GOSISDBHSA-N 376.457 -0.184 30 10 GBEE N#Cc1cc([N+](=O)[O-])c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1F 1162987482 MHEVAAGYEOMWJI-CABCVRRESA-N 384.389 -0.115 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301498300 MLURMFANPJYOMH-CHWSQXEVSA-N 390.444 -0.079 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)Oc3ccccc3NC2=O)CC1 1302924489 NGGLJFXVJJABJI-KRWDZBQOSA-N 392.437 -0.612 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 1302925240 ZSMXEDGHKBDDNW-UHFFFAOYSA-N 382.398 -0.415 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H](CN)[C@@H](C(F)(F)F)C2)CC1 1330697165 GKBLCYVZXITSAV-STQMWFEESA-N 388.390 -0.430 30 10 GBEE C=C[C@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1347185129 BVVYMAFVSONADJ-COJSNBRMSA-N 377.445 -0.453 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(C)c(=O)nc2O)cc1 1455045119 GQFWVLZPVSXNLI-UHFFFAOYSA-N 376.394 -0.673 30 10 GBEE N#C[C@@]12CN(C(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1462997208 IBELLKPWXQFDQY-WTBMIXGQSA-N 379.360 -0.302 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COCCO1 1507642551 KWYICLVQLWXBEI-ZIAGYGMSSA-N 381.458 -0.624 30 10 GBEE C#CCN(c1nnc([C@@H]2C[C@H](O)CN2C)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1520289621 PAMSTDIDDFSAGD-ILXRZTDVSA-N 379.486 -0.172 30 10 GBEE C#CCN(C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)[C@H]1CCS(=O)(=O)C1 1530297159 GDGMLNNSVKCUQY-ZDUSSCGKSA-N 385.486 -0.555 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)c2nc(S(N)(=O)=O)c3ccccn23)C1=O 1618021397 HKQACOZUWAJFGE-GFCCVEGCSA-N 377.426 -0.159 30 10 GBEE C#CC1(O)CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 1678133483 OSSPCSQIYZNOID-UHFFFAOYSA-N 386.456 -0.315 30 10 GBEE C#CCCCCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O 1682404069 ATGXPZBYGHGNAB-FPCVCCKLSA-N 379.457 -0.319 30 10 GBEE C=CCn1cc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1 1701835572 BRRUARMBVFQLSA-RZLSGREXSA-N 377.445 -0.172 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC 1748864280 UPWJWJKDXHTJBE-ZDUSSCGKSA-N 380.474 -0.513 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1760225573 TVICKSVZGDOSHB-CZUORRHYSA-N 384.506 -0.586 30 10 GBEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cn2cnnn2)C1)[C@@H]1CCN(C)C1=O 1857068043 LNBTZTLBXHQBAR-UONOGXRCSA-N 375.433 -0.843 30 10 GBEE N#CCCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C(=O)C2)C1 1857145103 OTCOLLGQSUJOID-LSDHHAIUSA-N 382.486 -0.530 30 10 GBEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](CS)C(=O)O)C1CS(=O)(=O)C1 2020697796 KQZOGTXKWPVWSH-BDAKNGLRSA-N 382.460 -0.577 30 10 GBEE Cc1nnc2n1C[C@H](C(=O)N=c1nc(B3OC(C)(C)C(C)(C)O3)[nH]s1)C2 2167740533 GOHNOQRLMBSXEF-SECBINFHSA-N 376.251 -0.030 30 10 GBEE Cc1cc(S(=O)(=O)NC[C@@H](O)CN)sc1B1OC(C)(C)C(C)(C)O1 2255739002 CFOOIQDMJYYXHU-JTQLQIEISA-N 376.309 -0.046 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NCC2(S(N)(=O)=O)CC2)OC1(C)C 2267162575 BIFCGTFNVMYAKA-UHFFFAOYSA-N 387.292 -0.007 30 10 GBEE 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N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2CCO)cc1 452376663 OLRCQXPSTHIUMN-HNNXBMFYSA-N 380.470 -0.200 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCOC[C@@H]2OCCOC)CC1 487018139 LBRXHTDNITUIBD-HOTGVXAUSA-N 384.477 -0.564 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 593573001 RSRKFFZWSHPSBG-LLVKDONJSA-N 378.366 -0.730 30 10 GBEE C#CCN(CC(=O)N[C@H](C(=O)NC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 731212880 NUWFHGZMEZQDCR-RDJZCZTQSA-N 377.466 -0.288 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Br)n[nH]c2C)CC1 828750719 QHFVQOOURIZTNT-UHFFFAOYSA-N 390.263 -0.294 30 10 GBEE C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 875600098 PQSOABHLTQNTIF-CQSZACIVSA-N 375.429 -0.322 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC#C)[C@@H]2CCS(=O)(=O)C2)cc1 918755578 DDQXHZJTKLQIAV-OAHLLOKOSA-N 394.474 -0.139 30 10 GBEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OC 1299179262 OTOBSJJBTYKNMC-AWEZNQCLSA-N 380.422 -0.157 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CCC(=O)OC(C)C)CC1 1312630611 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390.488 -0.289 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(=O)Nc2cc(C)on2)[C@H](OC)C1 1735879017 QRWFTEWRBSINER-YIYPIFLZSA-N 392.412 -0.145 30 10 GBEE C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nncn1C 1736581548 CJJYGLNWPOSMGK-TUVASFSCSA-N 375.429 -0.382 30 10 GBEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)NC 1760197008 VARJLNGQSFHWRM-KRWDZBQOSA-N 395.485 -0.448 30 10 GBEE CN(C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCOC2)C1)C1CN(c2nccnc2C#N)C1 1856278346 KFZKLCQDIIHIPY-UONOGXRCSA-N 384.440 -0.120 30 10 GBEE Cc1cc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)n(C)n1 1857165099 ZHMWXKHMDBGWSA-HNNXBMFYSA-N 394.439 -0.048 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H](O)C(=O)O)OC1(C)C 2269026755 PQQXLNQIEVNSBU-SECBINFHSA-N 392.264 -0.693 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H](O)C(=O)O)OC1(C)C 2269026756 PQQXLNQIEVNSBU-VIFPVBQESA-N 392.264 -0.693 30 10 GBEE C[C@@H](ONS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2269040151 YQYIUFUAQHNKDP-MRVPVSSYSA-N 375.212 -0.598 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2CC[C@](O)(CO)[C@H](O)C2)OC1(C)C 2281995113 YMHPWRDGYSGPRV-BZNIZROVSA-N 384.263 -0.628 30 10 GBEE CN(C(C)(C)CCO)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282287904 HCYHYGGGTLUFCM-UHFFFAOYSA-N 388.299 -0.104 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2CO 2282331394 MVDNKZNGYOJEJB-UTUOFQBUSA-N 383.279 -0.279 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC(=O)NC3=O)cc2)OC1(C)C 2282348711 OJWYHRIHPSZWQM-LBPRGKRZSA-N 380.231 -0.321 30 10 GBEE Cc1nc(S(=O)(=O)NCCC2CNC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507236 DPVSUQZAJZIPJB-UHFFFAOYSA-N 384.311 -0.084 30 10 GBEE C#CC(CO)(CO)N[C@]1(C(=O)O)CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2379596370 IDXPNYGUONSTTM-MSOLQXFVSA-N 384.429 -0.444 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 265879292 BLQMEYYAMMIREJ-XLIONFOSSA-N 397.479 -0.115 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC(=O)N1C 297802306 NLOZVHJDFVEBBD-WBVHZDCISA-N 383.452 -0.088 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(OC)cc2)CC1 371544577 XDSAAYPYGYOVAA-UHFFFAOYSA-N 386.452 -0.291 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 423552517 VFYJXUUQXFMQNT-KFWWJZLASA-N 383.456 -0.262 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 425910243 UQOHKVJZZQDDGN-ZFWWWQNUSA-N 399.455 -0.281 30 10 GBEE CC(=O)N1CCN(C(=O)C(/C=C2\C(=O)ONN2C)=NC(=O)c2ccccc2)CC1 585673804 UEFDRDWJYWYTOQ-URMRIORMSA-N 399.407 -0.249 30 10 GBEE COc1cc(C#N)ccc1NC(=O)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 595185489 PJYDTONCXCVMQG-GLQYFDAESA-N 393.421 -0.224 30 10 GBEE N#Cc1cn(C2CN(C(=O)NCCCOC[C@H]3CCOC3)C2)c(=O)nc1O 598990760 HWFFQHZXGZHKCT-GFCCVEGCSA-N 377.401 -0.170 30 10 GBEE C[C@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1CC(C)(C)O 780437507 HFWFEGBYTORSOH-PVEMMZBWSA-N 379.461 -0.001 30 10 GBEE C#CCOc1cccc(NC(=O)C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)c1 850673382 DTFIMFKGSJFBOP-XHSDSOJGSA-N 392.433 -0.093 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncns2)CC1 854817617 XLSKCTYLQNBHCG-UHFFFAOYSA-N 392.466 -0.075 30 10 GBEE C[C@H]1CS(=O)(=O)CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1134203404 LSGKTQLMDQHFCG-NSHDSACASA-N 385.467 -0.239 30 10 GBEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCOCCS(C)(=O)=O 1286379231 KVDNKBXFZJYJHM-UHFFFAOYSA-N 383.474 -0.469 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1286964706 DFWNOSMBPHXLLR-NEPJUHHUSA-N 383.478 -0.236 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)c2ccn(CCn3cccn3)n2)CC1 1292890367 XDNVFGDAFRBDLA-UHFFFAOYSA-N 383.456 -0.323 30 10 GBEE C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1340487625 MVJMOGQFBIDSLJ-RYUDHWBXSA-N 385.515 -0.139 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 1471451520 VHRWXUAITZIGNQ-UHFFFAOYSA-N 388.453 -0.448 30 10 GBEE CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1541083708 QXONQWOUWSGEME-AWEZNQCLSA-N 375.433 -0.231 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)C1CC1 1570347470 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10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@]3(N)CCOC3)c2)OC1(C)C 2282353922 KFYJZKPMGVLJAM-MRXNPFEDSA-N 383.279 -0.223 30 10 GBEE COC[C@H](O)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282409338 OMUFSMZULFMIKS-LLVKDONJSA-N 389.283 -0.653 30 10 GBEE Cn1[nH]c(CCN)nc1=NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282607889 ZZAIEPBPLCSXQN-UHFFFAOYSA-N 378.267 -0.254 30 10 GBEE CC[C@@H](O)[C@@H](CC)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282833302 WXMUZZJWWKMRRK-GHMZBOCLSA-N 388.299 -0.058 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2C[C@H]3NCC[C@H]32)n1 2282845043 MGVCYNBXSKHUCI-RAIGVLPGSA-N 382.295 -0.252 30 10 GBEE C[C@@H](F)[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284398210 VPKIOROWGCBVKM-SCZZXKLOSA-N 391.230 -0.191 30 10 GBEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)CC(=O)O 2284401792 DNMDKYPAPYHWPF-VIFPVBQESA-N 388.255 -0.497 30 10 GBEE C=C(CS(=O)(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2359400833 FDQOTRCKMNJXOU-GRYCIOLGSA-N 391.251 -0.616 30 10 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CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 805607874 SVCVFIJVCDAZOK-HHHXNRCGSA-N 393.469 -0.043 30 10 GBEE C#CC1(F)CN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 891168678 GBYMLUGQTXYNGV-STQMWFEESA-N 391.403 -0.359 30 10 GBEE C=C1[C@H](C(=O)N[C@H](C)CN2CCOCC2)[C@H]1C(=O)N[C@H](C)CN1CCOCC1 900208217 FBWIAGXJVJFPMH-LMSBXDPUSA-N 394.516 -0.538 30 10 GBEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)cc1 1118866793 DPCLNDBVMZIIKU-SJORKVTESA-N 397.435 -0.042 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(=O)n(-c3ccccc3)n2C)C1=O 1178437155 JNQCQXKGGJAPEC-UHFFFAOYSA-N 397.391 -0.231 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1268855180 ZYVOQMOARZGLPT-OFQRWUPVSA-N 380.445 -0.902 30 10 GBEE C=C[C@](C)(O)CC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1283823801 FCAJFNMSMYRGFD-ZMSPIWPASA-N 377.485 -0.003 30 10 GBEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1286358398 FLHXGOBIPUKXRQ-LBPRGKRZSA-N 396.411 -0.017 30 10 GBEE 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10 GBEE Cc1nnc(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1C 2288476483 DMINVOYORVEXKK-UHFFFAOYSA-N 383.243 -0.648 30 10 GBEE C[C@H](C(O)=Nc1cn(C)c(=O)n(C)c1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329425548 IYMDJQYFYWSWRY-RPWYLVQBSA-N 376.369 -0.777 30 10 GBEE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349478043 GQMGERHIDDRSKD-LLVKDONJSA-N 398.466 -0.170 30 10 GBEE CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586858822 HTPDXDCMPCQCRA-ZDUSSCGKSA-N 382.417 -0.146 30 10 GBEE CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)[C@@H]2C1 590280383 GZVVAKCUKZJTQD-JKSUJKDBSA-N 379.424 0.299 30 10 GBEE CCOC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCO1 599544494 LYHFFURDVDHMKP-INIZCTEOSA-N 387.440 -0.134 30 10 GBEE N#Cc1cn(C2CN(C(=O)COCCNC(=O)c3ccccc3)C2)c(=O)nc1O 600832133 RQDSPFHNAJHLQU-UHFFFAOYSA-N 397.391 -0.350 30 10 GBEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 794242850 BBWRTCHNPRGFNN-YSEONDFOSA-N 377.397 -0.059 30 10 GBEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 846345753 YITQBUBUFILCKM-CQSZACIVSA-N 396.407 -0.503 30 10 GBEE C#C[C@@H](CO)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 854774091 SDMGKKIQBMFSDF-AWEZNQCLSA-N 381.454 -0.443 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NCCn2c(=O)oc3ccccc32)CCN1C1CC1 1119071366 RXASYUGTVTUKGQ-AWEZNQCLSA-N 383.408 -0.091 30 10 GBEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1185753529 QBNLQZILYNRYFS-QWHCGFSZSA-N 385.529 -0.184 30 10 GBEE C=CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CCCC1 1281717286 FUCALVDORHRHJK-APIJFGDWSA-N 379.457 -0.156 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 1301477420 AKAVECRLAVIPRL-UHFFFAOYSA-N 398.427 -0.446 30 10 GBEE C#CCN1CCC(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1337689851 LEMSJUDCAMFTRC-XLAORIBOSA-N 377.485 -0.260 30 10 GBEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1340703576 XXHWKXHVYGDHER-RDTXWAMCSA-N 378.477 -0.329 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)C1 1351433341 NPHRFORZAJAHEG-OXQOHEQNSA-N 391.468 -0.275 30 10 GBEE C=CCCOCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1490051478 XNFFNCYURFHSLK-FXUDXRNXSA-N 379.457 -0.081 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1OC 1513430466 ZJAVXADPIRSZMU-APIJFGDWSA-N 393.444 -0.735 30 10 GBEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1587862692 ZWZKUXWYYLUIFT-KBPBESRZSA-N 395.485 -0.455 30 10 GBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(S(C)(=O)=O)CC1 1595766059 LIUWAXGPKKJVOT-UHFFFAOYSA-N 391.519 -0.341 30 10 GBEE N#Cc1cn(CCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c(=O)nc1O 1626834534 BUPLBHNUUAMZMV-HNNXBMFYSA-N 375.429 -0.076 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CCOC)[C@@H]2CS(=O)(=O)C[C@@H]21 1719797874 SGLJAOLNYDRIMM-KBXIAJHMSA-N 386.470 -0.550 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1719907960 MQOGROUJVOJISL-OAGGEKHMSA-N 376.457 -0.952 30 10 GBEE NC(=O)c1cc(S(=O)(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)c[nH]1 1772786444 ITSLYCNAJGRKDQ-UHFFFAOYSA-N 392.349 -0.854 30 10 GBEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCC#N)C1 2174740279 IGHDLRROCYGKMW-GFCCVEGCSA-N 381.433 -0.494 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCN(CCC#N)CC1 2184062452 UXFPPTBNNTWVEQ-ZNMIVQPWSA-N 382.461 -0.225 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2267487016 QJQCZNAILVDEFV-RKDXNWHRSA-N 388.276 -0.670 30 10 GBEE C[C@H]1CO[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282310681 XIMOFYNTFKXKBP-GHMZBOCLSA-N 386.283 -0.182 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2COC[C@H]2C1 2282328413 XDPUYUJYCDONDS-PHIMTYICSA-N 384.267 -0.619 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)OC1(C)C 2282506904 ZBDQVBYDXMNAAK-CHWSQXEVSA-N 387.238 -0.149 30 10 GBEE Cn1cc(C(=O)NC[C@@H]2CCS(=O)(=O)N2)c(B2OC(C)(C)C(C)(C)O2)n1 2282600805 WFHAIXYBEUFKBP-JTQLQIEISA-N 384.267 -0.859 30 10 GBEE 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1O 1702179973 BLDKPXPHEIEHAY-BORJPKMPSA-N 381.473 -0.038 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC(N)=O 1749650116 KFCUBFZMEXWLLG-GFCCVEGCSA-N 377.449 -0.484 30 10 GBEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C)C1=O 1760225495 QYUUEEMCLHYRRG-BLLLJJGKSA-N 382.490 -0.174 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)C3CC4(CC4)C3)C(=O)C2)C1 1856835508 RYTZODCJSQIRCF-AWEZNQCLSA-N 380.470 -0.225 30 10 GBEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCO)CC1 1869930030 RJAVKLDHCUQISI-CQSZACIVSA-N 380.470 -0.360 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCO[C@@H](CO)C1 2282350466 NIXULTAWLZRLHX-LLVKDONJSA-N 387.267 -0.899 30 10 GBEE CC[C@H]1COC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282416123 QYHYSZBAVGIWQU-WDEREUQCSA-N 386.283 -0.182 30 10 GBEE CN(Cc1cnco1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282419081 MPMQILSDOLWHCJ-UHFFFAOYSA-N 383.239 -0.077 30 10 GBEE 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CC(C)N=c1[nH]c(N2CCN(c3cccc(C#N)n3)CC2)nc(=NCCO)[nH]1 561268967 WEYHGTGUAOBVSL-UHFFFAOYSA-N 383.460 -0.467 30 10 GBEE CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 585715902 OBUMOOHRGNPGKJ-UHFFFAOYSA-N 375.404 -0.406 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 625376868 UFZIPTRGEICNDT-QGZVFWFLSA-N 391.516 -0.434 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2CCN(C3CC3)CC2)C1=O 726043186 SDMNXHQRVKEHKM-UHFFFAOYSA-N 392.412 -0.751 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)C1=O 766100464 HPPNYZIFFDMLHK-GFCCVEGCSA-N 379.369 -0.856 30 10 GBEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C#N)cc1F 781128985 ZQIJUXWZXJTTFN-UHFFFAOYSA-N 379.373 -0.203 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 862195601 SJFRHAHBNSHEKR-ZDUSSCGKSA-N 394.453 -0.041 30 10 GBEE C#CCN1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1147291020 FDDAZLPPMLMGHX-KRWDZBQOSA-N 388.443 -0.104 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 1158795731 AMDBXBZBDYVZGX-HZSPNIEDSA-N 395.375 -0.506 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)OC)c1 1179960300 UMNWKRVEAXTJLU-CQSZACIVSA-N 395.437 -0.393 30 10 GBEE C#CC[C@H](NC(=O)C(=O)NC[C@]12COCCN1C(=O)COC2)c1ccccc1 1261950442 DHOAIKCSGXBSKW-OXJNMPFZSA-N 385.420 -0.389 30 10 GBEE C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)c2ncnn21 1327613065 IUTXQQNKKZGKCH-QJPTWQEYSA-N 390.491 -0.233 30 10 GBEE C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCO[C@@H](CNC(=O)NC)C1 1346121671 GEOUMMVYBPYEGG-KGLIPLIRSA-N 391.476 -0.066 30 10 GBEE N#CC1(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCOCC1 1346722222 ORVGRDAMZSNXEI-UHFFFAOYSA-N 379.461 -0.507 30 10 GBEE C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(C)C[C@@H](O)CN1C 1352063665 STFZMLYLLZYTSV-KDOFPFPSSA-N 378.477 -0.329 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1539447808 WKYGNKFTMWBKAJ-FXAWDEMLSA-N 388.516 -0.006 30 10 GBEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1540370857 IFIMAFIKUJPVHI-AWEZNQCLSA-N 382.428 -0.606 30 10 GBEE Cc1ccc2c(c1)C(=O)N(CC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2=O 1618171559 BYRRTVCFIJVAOM-KPZWWZAWSA-N 387.417 -0.012 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccn3)c2N)CC1 1632966592 SJQHXWIVFULYSC-UHFFFAOYSA-N 389.441 -0.925 30 10 GBEE COC1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CS(=O)(=O)C1 1639974232 ZLQXEQISYRQBIH-CQSZACIVSA-N 377.422 -0.411 30 10 GBEE COC[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1712282218 ZGRKEGODFOGEGO-JFVSRZABSA-N 376.417 -0.035 30 10 GBEE C=CCNC(=O)Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OCC)CCOC1 1749682337 SBAWAOIDYBIECF-KRWDZBQOSA-N 397.501 -0.199 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1757732430 VLOPWOLKYKBCAR-NMKXLXIOSA-N 376.417 -0.784 30 10 GBEE Cc1cc(=O)n(CC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)cn1 1854011974 JLQFWHRUJXKOQG-UHFFFAOYSA-N 393.403 -0.023 30 10 GBEE C#CCCCNC(=O)COc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2069472496 BUNKLZSKALOJDC-ZDUSSCGKSA-N 397.387 -0.004 30 10 GBEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 2124705619 KONLTYNAEXQWIC-OLZOCXBDSA-N 386.474 -0.346 30 10 GBEE Cc1cc(S(=O)(=O)NC[C@H](O)CO)sc1B1OC(C)(C)C(C)(C)O1 2255748102 WYDJEOYGGOLRGJ-JTQLQIEISA-N 377.293 -0.013 30 10 GBEE CNS(=O)(=O)[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2282599482 SMTHONJWPDMLTF-SNVBAGLBSA-N 384.267 -0.527 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@@H](O)[C@H](O)C3)ccc2F)OC1(C)C 2282844457 DGDQAEPZQOSXLS-ZIAGYGMSSA-N 387.238 -0.149 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C(=O)O)C(F)(F)F)n1 2284430313 RUNYVLVZVJDLFE-SSDOTTSWSA-N 378.116 -0.140 30 10 GBEE Cn1nc(C(=O)NCC[C@@H](O)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284440132 HWWUHBYIMGZCAK-MRVPVSSYSA-N 387.629 -0.062 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@@H]3[C@H](O)CO)c2)OC1(C)C 2286231445 ZBKOUAFTCHNLRA-ZIAGYGMSSA-N 384.263 -0.503 30 10 GBEE CC#CCN(CC(=O)N[C@H](CS(C)(=O)=O)C(=O)O)C(=O)OC(C)(C)C 2316059987 JZVBFXRZCDBITF-LLVKDONJSA-N 376.431 -0.139 30 10 GBEE C#CC#CC1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2362086576 HMBBRNNHFDGWPD-UHFFFAOYSA-N 376.247 -0.629 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2368600471 DOMNYLAJZIXQTK-VYDRJRHOSA-N 380.445 -0.474 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CC(=O)NC)CC2)cc1 363210037 ZPINKPZGDSDAFB-UHFFFAOYSA-N 392.481 -0.508 30 10 GBEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(N)=O)C(=O)C1 414511502 GUCDDJGIRHUELL-UHFFFAOYSA-N 377.449 -0.484 30 10 GBEE CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 594309269 JJJMPIOBCPILOK-QGZVFWFLSA-N 375.360 0.335 30 10 GBEE CC(C)(C)OC(=O)Cn1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 596550143 DAPWBYRSKWKUPE-KRWDZBQOSA-N 377.401 0.040 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3cccc(C#N)c3)C[C@@H]12 597183651 JEVVEGOJKRTDTD-ZNMIVQPWSA-N 377.422 -0.555 30 10 GBEE N#Cc1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 603595190 BJBRSYGBUWSBGB-UHFFFAOYSA-N 382.402 -0.440 30 10 GBEE 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30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(CCOC)ccn2)CC1 1466506378 UOXXCGXYGMBBKX-UHFFFAOYSA-N 381.458 -0.112 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCOC[C@@H]2CCCO2)CC1 1468047160 MIPRYECNAZJEPC-HNNXBMFYSA-N 388.490 -0.633 30 10 GBEE COc1ccc(OC)c2c1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C[C@H]2O 1540694606 BAHJDJXLQWDUTF-GFCCVEGCSA-N 386.364 -0.086 30 10 GBEE C=CCCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1574547331 MOPBRIFJIARUGF-LOWDOPEQSA-N 379.417 -0.081 30 10 GBEE C#CCN1CCCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1586493707 CRPDQGPHNRNADR-ZFWWWQNUSA-N 385.511 -0.057 30 10 GBEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 1588806130 HMKZABSPUOHUJD-UHFFFAOYSA-N 390.473 -0.961 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1595551534 RNVJHKDZICRFKU-GFCCVEGCSA-N 398.489 -0.945 30 10 GBEE CNC(=O)N[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1637979760 BGHMUGNJEHFLBX-ZDUSSCGKSA-N 379.442 -0.243 30 10 GBEE CC(C)NS(=O)(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 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C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 896011537 KJXNFGMZQGESCX-MRXNPFEDSA-N 383.518 -0.202 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)CC1 896149406 OFBVQJURTGTGPI-JKSUJKDBSA-N 379.457 -0.419 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)CC1 910550101 OXCWBHGKUGKUFX-HOTGVXAUSA-N 378.473 -0.540 30 10 GBEE CNCc1ccccc1CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1118330527 QTRVSZJLIVXHRC-WUKNDPDISA-N 385.424 -0.335 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C)c1cc[nH]n1 1136874312 LCJOFHOMHOTWBU-GXTWGEPZSA-N 380.449 -0.556 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(CNC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1255461029 MUSMHOAPTVJFOU-MRXNPFEDSA-N 391.449 -0.090 30 10 GBEE C#CCN(CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 1319380711 JCWBVUXGDZGNIE-KRWDZBQOSA-N 395.525 -0.030 30 10 GBEE C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCCC1 1321662081 HTVKGNOLJVVCDM-PVEMMZBWSA-N 377.445 -0.523 30 10 GBEE CCOC1CC(CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1323842354 GFPMVALJNMLFSB-FOCLMDBBSA-N 378.429 -0.050 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 1326173741 RWKGRMICUDVSBP-HZPDHXFCSA-N 380.489 -0.151 30 10 GBEE COC(=O)[C@@]1(N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)CCOC1 1334972756 PXIQSBVZBYHBLH-MRXNPFEDSA-N 380.426 -0.408 30 10 GBEE C#CCN(c1nnc([C@@H]2CN3CCC[C@@H]3CO2)n1C)[C@@H]1CCS(=O)(=O)C1 1341316186 LDMLWXMZHYGOTI-KFWWJZLASA-N 379.486 -0.023 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC([C@H]2CCCNC2)CC1)[C@H]1CCS(=O)(=O)C1 1347160767 QIHRRMYURVSCTF-IRXDYDNUSA-N 395.525 -0.127 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508086533 MCDKWVPLKKDKOS-RYUDHWBXSA-N 375.433 -0.802 30 10 GBEE CN(C)C(=O)CN1CCC(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1627057698 QRUQPCOHXVLVFT-ZCXUNETKSA-N 377.445 -0.428 30 10 GBEE N#C[C@@]12CN(C(=O)c3ccc(F)c(S(N)(=O)=O)c3)C[C@H]1CS(=O)(=O)C2 1639175645 VKHWGTXQYQKCNE-HZMBPMFUSA-N 387.414 -0.517 30 10 GBEE N#Cc1cn(CCNC(=O)c2cccn(CC(F)(F)F)c2=O)c(=O)nc1O 1646148954 XQQDOXLHWPJAHO-UHFFFAOYSA-N 383.286 -0.025 30 10 GBEE C#CCN(C(=O)NCCS(=O)(=O)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1685419445 TZZFGNVDBFAYMR-ZDUSSCGKSA-N 377.488 -0.756 30 10 GBEE C[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1751304212 IIWZHGFGBZDQLM-DCGLDWPTSA-N 376.417 -0.237 30 10 GBEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CC(O)C2)cc1=O 1870562521 KEOHYJPRTXINQO-UHFFFAOYSA-N 377.422 -0.268 30 10 GBEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc[nH]cc2C#N)CCS(=O)(=O)C1 2130061917 JPUFAGJOYLECPW-HNNXBMFYSA-N 381.414 -0.209 30 10 GBEE CNS(=O)(=O)C1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2267545094 DIRUNTCITMOQDH-UHFFFAOYSA-N 387.292 -0.184 30 10 GBEE CCNS(=O)(=O)CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282067477 PWISIXCKRJXDAU-UHFFFAOYSA-N 386.283 -0.612 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C(=O)[C@@H]1C 2282315824 TVQAVANYZODBEL-NXEZZACHSA-N 384.267 -0.083 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)NCC3(O)CNC3)c2)OC1(C)C 2282504566 QYCDWSQICXOXQH-UHFFFAOYSA-N 382.291 -0.261 30 10 GBEE CNC(=O)OCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282847217 VZYJIXXNXKDKOH-UHFFFAOYSA-N 388.255 -0.646 30 10 GBEE Cc1nc(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)nn1C 2282868817 SSMVUODGEYXBDJ-UHFFFAOYSA-N 383.243 -0.648 30 10 GBEE CC1(C)OB(c2cccc(CS(=O)(=O)NC[C@@H](O)C(=O)O)c2)OC1(C)C 2284399849 OXSHHAKKYYGMNP-CYBMUJFWSA-N 385.247 -0.149 30 10 GBEE COC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284403682 TXXKGLKCLKBDME-JTQLQIEISA-N 389.239 -0.903 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)NC[C@H](CO)C(=O)O)OC1(C)C 2284404173 XCHZCGQINYRLEV-LLVKDONJSA-N 385.247 -0.043 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)O1 2284413379 JUJUBKMLCZECHD-VIFPVBQESA-N 387.223 -0.502 30 10 GBEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4CS(=O)(=O)[C@@H]4C3)nc2)OC1(C)C 2361655893 ZCZMTZWMARHJRS-CMPLNLGQSA-N 379.247 -0.355 30 10 GBEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)cn1 575435868 BMWQWMBLRHPPAD-OXHZDVMGSA-N 386.364 -0.157 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(OCCO)CCOC1 597989673 GYTJHBXNYFDSSW-GUYCJALGSA-N 397.453 -0.491 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 613242582 HVDZYQXVODZVCS-INIZCTEOSA-N 380.489 -0.292 30 10 GBEE COCCn1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cn1 743728326 IZKKJWCGAXZTQT-HNNXBMFYSA-N 385.449 -0.042 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 867743354 AZCWCZZHHFSNGJ-UHFFFAOYSA-N 379.505 -0.625 30 10 GBEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c3c(nn2C)CCC3)c1=O 901848287 BDSGVPWCQGZTAL-UHFFFAOYSA-N 393.472 -0.453 30 10 GBEE C#CCOc1ccc(Cn2nnnc2N2CCO[C@@H](CS(C)(=O)=O)C2)cc1 1262448242 CGIPEVDPVZLIMK-MRXNPFEDSA-N 391.453 -0.017 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 1322718688 XGJOXDYANIAUFU-AWEZNQCLSA-N 391.453 -0.705 30 10 GBEE C#C[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCOCC1 1334831150 BLQRLPJSICFSRK-KBPBESRZSA-N 381.454 -0.304 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC[C@@H]2CC(=O)N(C)C2)n1 1337932878 SYFPQLAQKVGVNR-OAHLLOKOSA-N 389.456 -0.524 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1340445700 FJSCGACEQLFNMB-CQSZACIVSA-N 379.438 -0.255 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1341087919 QRTWJQVBWGZDNF-CVEARBPZSA-N 383.514 -0.128 30 10 GBEE C=CCOCCCn1nnnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1344669056 OQTMQMKIBVVNDG-UHFFFAOYSA-N 377.449 -0.463 30 10 GBEE CCOC(=O)CON=C(C(=O)NCCCN1CCC(O)CC1)c1cc[nH]n1 1444676853 ZPNBDJCODXIMGX-UHFFFAOYSA-N 381.433 -0.344 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(N[C@@H]2CCOC2)C1 1645425450 IBSQIBMVDNIXJQ-TZMCWYRMSA-N 378.454 -0.186 30 10 GBEE C[C@@]1(C#N)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCO1 1654932437 HLHKPMSBNDJUGD-QGZVFWFLSA-N 380.470 -0.003 30 10 GBEE C#CC1(O)CN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1684547171 SHRDFPBSYWSTAA-GFCCVEGCSA-N 378.429 -0.404 30 10 GBEE CS(=O)(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(C#N)c1 1740364111 ANUYSBWZWSDFGA-MCIONIFRSA-N 379.442 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-0.059 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NOC(C)(C)C(=O)O 2284403840 UTOMDPMQQHGDJQ-UHFFFAOYSA-N 390.227 -0.813 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N=[S@](C)(=O)CCC(=O)O)n1 2284463308 UYOCBGVVAYKWCH-AREMUKBSSA-N 386.239 -0.173 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@@]2(CN)C1 2288266143 AAILCAJZZYZEBR-MEBBXXQBSA-N 383.283 -0.916 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 279482349 HRGUKMGRRZCHGT-SJCJKPOMSA-N 376.438 -0.036 30 10 GBEE O=C(CN1CCN(/C(O)=N/[C@H]2COC[C@H]2n2ccnn2)CC1)N1CCCCC1 329523840 RVMQEABUBQYTKC-JKSUJKDBSA-N 391.476 -0.238 30 10 GBEE C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)CC(=O)N1C 349489858 HNAGNMKZYSOUSN-GFCCVEGCSA-N 392.503 -0.813 30 10 GBEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)n2cnc(C#N)n2)c1 409723796 VBSMZDCPWLVQPD-LBPRGKRZSA-N 392.441 -0.048 30 10 GBEE COC(=O)[C@@H](O)C1CCN(CC#CCN2CCC([C@@H](O)C(=O)OC)CC2)CC1 472568485 FVJVHNQFZNJXKO-HDICACEKSA-N 396.484 -0.518 30 10 GBEE CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 519847972 JVBFKHUOLWCREW-UHFFFAOYSA-N 387.487 -0.656 30 10 GBEE N#Cc1cn(C2CN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2)c(=O)nc1O 530266534 KSPDOXJIIMNRIC-ZIAGYGMSSA-N 399.407 -0.231 30 10 GBEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600087081 YSROMXAQRHDAPP-UHFFFAOYSA-N 395.441 -0.498 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 847527952 AUQKZASETPRYPR-KUHUBIRLSA-N 384.392 -0.118 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1c(C(=O)OC)cnn1C 850608838 OYNKLHRDKZHSHK-UHFFFAOYSA-N 378.385 -0.051 30 10 GBEE COCC(CC1CCOCC1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 853324177 XBNFTLLTTGQZBD-UHFFFAOYSA-N 388.446 -0.819 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 854774948 YHAICHYWFHVUQP-ZFWWWQNUSA-N 381.454 -0.674 30 10 GBEE N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)nc1 861556420 LUVAEUAZBSYBGC-UHFFFAOYSA-N 386.460 -0.282 30 10 GBEE C#CC1(O)CCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 899110457 LHNZFLLFZDQOIS-UHFFFAOYSA-N 395.481 -0.135 30 10 GBEE C#CCN(C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)C1CCN(C)CC1 929925952 RPFKGRABFGIIDO-UHFFFAOYSA-N 399.495 -0.245 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(C)nc3ccccn23)CC1 934171841 HTMXOUUDKLSEGL-UHFFFAOYSA-N 398.467 -0.295 30 10 GBEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1286398954 USXJRYBIKQHPCN-QGZVFWFLSA-N 393.469 -0.961 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCOC 1286408211 AKCHJTAABUSZGQ-HNNXBMFYSA-N 380.470 -0.084 30 10 GBEE C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1292137309 QOQDVWKHFYSQBW-KFWWJZLASA-N 377.445 -0.269 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1)[C@H]1CCS(=O)(=O)C1 1322859794 ZXKOJLLOJGQPDG-GJZGRUSLSA-N 398.481 -0.173 30 10 GBEE NS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(O)C2=O)sc1Br 1324340241 KZHSUWYVIFAPTI-BYPYZUCNSA-N 384.233 -0.122 30 10 GBEE CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1326695938 ZYRRHPIKKXMSHI-DOMZBBRYSA-N 381.454 -0.011 30 10 GBEE N#Cc1cccc2c1CN(C(=O)C(=O)N1CCO[C@@]3(CCS(=O)(=O)C3)C1)C2 1326859012 PIFOWAAUQBNWEM-SFHVURJKSA-N 389.433 -0.183 30 10 GBEE C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1355969465 ULWWCXWDOBWALK-ZNMIVQPWSA-N 381.502 -0.098 30 10 GBEE N#CCC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1473413555 GHTSOXRIJIWJMS-UHFFFAOYSA-N 396.444 -0.381 30 10 GBEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)C1CCOCC1 1585138276 HKDOONNLMUMIMA-XUJVJEKNSA-N 390.483 -0.635 30 10 GBEE Cn1c(CO)nc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)ccc21 1637512817 GQNNGTVYPRYEBT-UHFFFAOYSA-N 380.364 -0.103 30 10 GBEE N#C[C@@]12CN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C[C@H]1CS(=O)(=O)C2 1639175425 QTDFXQHNWMMRMC-BBRMVZONSA-N 397.478 -0.337 30 10 GBEE C#CCN(C(=O)NCc1cn(C2CC2)c(=O)nc1O)[C@H]1CCS(=O)(=O)C1 1687446853 RTHRVIVJIUANBE-ZDUSSCGKSA-N 380.426 -0.384 30 10 GBEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 1705922567 ORKULFNVOJXBSN-QWHCGFSZSA-N 398.489 -0.440 30 10 GBEE CN(C)CC#CCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 1850300648 KJKIIHHNLPGPBI-UHFFFAOYSA-N 381.454 -0.193 30 10 GBEE N#Cc1cccnc1N1CCN(CCOC(=O)CN2CCCS2(=O)=O)CC1 1852692074 RFDXAAPOOHAMFN-UHFFFAOYSA-N 393.469 -0.346 30 10 GBEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C(=O)C2)C1 1856840018 QVZJOIGPSDGVIQ-CVEARBPZSA-N 398.529 -0.268 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)N1CC[C@@H](C#N)C1 2225624448 AXWUAEMSTOOENA-QNWHQSFQSA-N 390.462 -0.993 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CO 2281969600 BJCMAICBQNBKKK-OBJOEFQTSA-N 383.275 -0.106 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H](CO)C1 2282306330 LTAGVDLEMFDSMZ-MNOVXSKESA-N 386.283 -0.446 30 10 GBEE CCC[C@@](C)(CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282320201 FHSCFCJUGXMVBZ-HNNXBMFYSA-N 388.299 -0.056 30 10 GBEE C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282838457 ORZNDZQTTIEPKD-QWRGUYRKSA-N 386.283 -0.494 30 10 GBEE CCNC(=O)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856279 QCOYODBSEWFDTD-UHFFFAOYSA-N 386.283 -0.524 30 10 GBEE CN1CC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282858109 RUFKUMIPFUIKLO-LBPRGKRZSA-N 384.311 -0.051 30 10 GBEE Cc1nc(S(=O)(=O)NN2CCNCC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870604 VEWYHNXXGLVTMJ-UHFFFAOYSA-N 385.299 -0.874 30 10 GBEE C[C@@H](F)[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399459 KQUOTPDMJKJWJA-PSASIEDQSA-N 391.230 -0.191 30 10 GBEE C[C@@H](C#CC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2366850394 JXSODLBUEVSFJY-JTQLQIEISA-N 383.235 -0.526 30 10 GBEE C[C@@H](CN(C)C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2379869514 RGNFBJOEKIDYJA-NSHDSACASA-N 387.315 -0.315 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)cc1F 291875626 MAOCBRGTYHXRFT-SNVBAGLBSA-N 376.387 -0.040 30 10 GBEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@H](O)CC1(C#N)CCOCC1 599366038 JNOYZFSUIVYQNJ-CABCVRRESA-N 383.445 -0.562 30 10 GBEE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CCO1 600014713 AWAYRITVXFFMGI-LLVKDONJSA-N 393.375 -0.199 30 10 GBEE N#Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)ccn1 610994784 MIDQBJIMZDEBOQ-OAHLLOKOSA-N 377.470 -0.626 30 10 GBEE C=CCN1C(=O)c2ccc(C(=O)NCCOCCS(N)(=O)=O)cc2C1=O 622050998 LIYNNVKRGHIYNO-UHFFFAOYSA-N 381.410 -0.497 30 10 GBEE C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(OC)cn1 848961451 XRAKAWQVTGCBKY-LLVKDONJSA-N 376.460 -0.100 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 875153544 XRIOVHLQNKUPKA-MRXNPFEDSA-N 386.452 -0.394 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)C1=O 1128963031 IKWWXKSCWIDXBG-AAEUAGOBSA-N 375.385 -0.267 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(-c3nncnn3)cc2)C1=O 1261519107 LSCSNKAHSPIXMZ-OAHLLOKOSA-N 395.423 -0.205 30 10 GBEE C[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCC(=O)NCC#N)C1 1263996696 OIPFKBXZHVARIS-QXSJWSMHSA-N 393.488 -0.344 30 10 GBEE CCC[C@]1(CO)CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326595308 GFAVKOMQAPWAOE-KGUUONHRSA-N 378.429 -0.217 30 10 GBEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C#N)CO)c2)CC1 1330847911 IKWLCKPFHSQUGD-CQSZACIVSA-N 380.426 -0.846 30 10 GBEE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1332609690 CUCAPRZJPDAEQQ-FPMFFAJLSA-N 395.437 -0.081 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@]1(C)CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1343368063 RPMJJHDKOXWCAP-VKJFTORMSA-N 382.482 -0.043 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1344952228 WUENKDPOLLKENX-INIZCTEOSA-N 391.449 -0.090 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](O)C(F)(F)C3)CC2)nc1 1350176849 CPOPZVHMRSHNNZ-ZDUSSCGKSA-N 379.367 -0.170 30 10 GBEE C=CCn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1356176073 GNQHCZDCZPVKIP-ZIAGYGMSSA-N 389.460 -0.155 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)COC(=O)N3)CC1 1471451434 SIBFWGNSKZQYOZ-UHFFFAOYSA-N 378.410 -0.026 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(C)c(C(N)=O)c2)CC1 1476980747 WDXCMILVNIRNOY-UHFFFAOYSA-N 380.430 -0.894 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2(COC)CCOCC2)C1 1489591943 BBGDLOPJRRNPJD-WCVJEAGWSA-N 382.457 -0.291 30 10 GBEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1C 1507982253 LXHCPJVNBURCII-GFCCVEGCSA-N 396.477 -0.590 30 10 GBEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1702952106 BZFPKXCCXLBLED-RDBSUJKOSA-N 378.429 -0.231 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1C 1719735829 FHDQFZILPIXPRU-TUVASFSCSA-N 387.502 -0.273 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@@H]1O 1739633486 UGKPTFBWASSWAZ-DFGXFYAUSA-N 392.456 -0.394 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CCS(=O)(=O)NC)C1 1739876742 BTLXPQWGUPLCKF-YJNKXOJESA-N 387.502 -0.082 30 10 GBEE Cn1cc(S(=O)(=O)N2CCC(N3CCC(C#N)CC3)CC2)c(=O)n(C)c1=O 1849195847 FWTFUPPGWUUPFH-UHFFFAOYSA-N 395.485 -0.527 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)c1ccc(C#N)nc1 2233966206 XUIKAKAPJJUDGN-HZSPNIEDSA-N 398.441 -0.427 30 10 GBEE COC(=O)[C@H](CS(=O)(=O)NCC#CCCO)NC(=O)OCc1ccccc1 2249447686 GENVQGALUSQIAF-HNNXBMFYSA-N 398.437 -0.240 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)NCC(O)(CO)CO)c2)OC1(C)C 2267716091 HVWOMQGDUIHXNT-UHFFFAOYSA-N 393.292 -0.959 30 10 GBEE C[C@@H](N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(C)(C)O 2282327143 DDCWUPVVLKSRJU-SNVBAGLBSA-N 388.299 -0.106 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC(=O)NC3=O)cc2)OC1(C)C 2282346519 OJWYHRIHPSZWQM-GFCCVEGCSA-N 380.231 -0.321 30 10 GBEE C[C@@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2282601201 ZYGINDMYTXYDTR-SNVBAGLBSA-N 383.279 -0.118 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1(CN)CCCC1 2282834342 SMIYILIFUZPZOF-UHFFFAOYSA-N 385.299 -0.336 30 10 GBEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 295261318 DHPRQGPYCDJGQL-CVEARBPZSA-N 378.454 -0.232 30 10 GBEE N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)nc1 349595990 XBJPIWPWIIBGIJ-ZDUSSCGKSA-N 388.471 0.183 30 10 GBEE N#Cc1ncn(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 534309183 WJBKYUWRLBXREE-JKSUJKDBSA-N 379.424 -0.135 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCC2CCN(CC)CC2)CC1 553895364 IMVVZFZHDDLZDV-UHFFFAOYSA-N 393.532 -0.329 30 10 GBEE Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)n1 594636293 NMSLURQUELTVDC-UHFFFAOYSA-N 379.439 -0.203 30 10 GBEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)[C@H]1CCS(=O)(=O)C1 729335304 LUTTUYIMCBQVEJ-KGLIPLIRSA-N 376.500 -0.303 30 10 GBEE C#CC[C@H](COC)NC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 859034754 XBQHAMHPIBBCRX-CYBMUJFWSA-N 382.442 -0.129 30 10 GBEE C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 876602067 WXVPTRATWNAPLM-MCIONIFRSA-N 394.925 -0.046 30 10 GBEE C#CCN(C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1)[C@@H]1CCS(=O)(=O)C1 1251451142 QGWCOTMFFNYIJR-QWHCGFSZSA-N 379.442 -0.407 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300535610 KMSIZNVPJNJHOM-YJBOKZPZSA-N 392.481 -0.206 30 10 GBEE CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1326695943 ZYRRHPIKKXMSHI-WFASDCNBSA-N 381.454 -0.011 30 10 GBEE CO[C@@H]1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@H]1C 1329305503 GXIGBYAYHYLYQD-ZWNOBZJWSA-N 375.385 -0.913 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1)[C@H]1CCS(=O)(=O)C1 1331218919 CFEUPMVGWACXLF-SJORKVTESA-N 389.477 -0.534 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C[C@@H]12 1333452635 XVKFSWYRTPAURV-IMJJTQAJSA-N 389.433 -0.282 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CCN1S(C)(=O)=O 1333475472 UJAWIVRVNFVUPM-CYBMUJFWSA-N 378.454 -0.291 30 10 GBEE C[C@@]12CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C[C@]1(C)C(=O)NC2=O 1457971614 LEOFHBKAIYYOMA-CALCHBBNSA-N 390.421 -0.652 30 10 GBEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(O)C2=O)C1 1468373010 BGUQAOZAVOCGFU-NEPJUHHUSA-N 385.446 -0.466 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ncnn3C)C2)cc1 1471608196 DMWSGDVSHCPVCV-UHFFFAOYSA-N 377.426 -0.377 30 10 GBEE O=C(CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)NCC#Cc1ccccc1 1482751170 ICCHNIWOUJVNNC-KKEPMVJESA-N 397.475 -0.356 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1505326007 WAOKFANXRWZFFM-IOASZLSFSA-N 397.457 -0.592 30 10 GBEE N#C[C@@]12CN(C(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1611159362 LJDWYVXWJWYUIO-KWBADKCTSA-N 379.360 -0.206 30 10 GBEE CC1=C(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H](C)n2ncnc2N1C 1639175398 PSDRKORAKVTVPL-WQGACYEGSA-N 376.442 -0.040 30 10 GBEE CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 1652560005 XYSPPDSNQDPWHB-CYBMUJFWSA-N 378.410 -0.470 30 10 GBEE N#C[C@@H]1CN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CCN1C1CC1 1684009249 FJWRSMAPPJYFEO-QGZVFWFLSA-N 398.467 -0.199 30 10 GBEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1690622296 MHYWDHKRARCSOA-RDTXWAMCSA-N 378.477 -0.065 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC)C1 1690675048 OLHOZUGYAMZUIJ-AWEZNQCLSA-N 392.460 -0.446 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)N(C)C 1719854867 MRVLYEQCEBULGC-MRLBHPIUSA-N 385.486 -0.283 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C 1741124704 GXMLPYTUMICRIA-GHMZBOCLSA-N 381.466 -0.339 30 10 GBEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1772786047 NDEMOTZJIPJLDT-WDEREUQCSA-N 392.389 -0.224 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H](CS)C(=O)O 2009915964 LXMFUXMENUIKRI-BDAKNGLRSA-N 384.476 -0.186 30 10 GBEE CC(C)(C)OC(=O)NC(CO)(CO)CNS(=O)(=O)N1CCC[C@@H](C#N)C1 2270671183 WGCPUFBWSRAXFD-LBPRGKRZSA-N 392.478 -0.696 30 10 GBEE Cn1nc(C(=O)N[C@@H]2CC(=O)NC2=O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282038130 DSKIYZDWBZEATL-SSDOTTSWSA-N 382.613 -0.482 30 10 GBEE Cn1cc(C(=O)N=c2nc(CCN)[nH]s2)nc1B1OC(C)(C)C(C)(C)O1 2282047576 ZZLZEAOWJSOGAD-UHFFFAOYSA-N 378.267 -0.254 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3C[C@H](O)C[C@H]3CO)c2)OC1(C)C 2282292765 ZWROYIBFOXDITA-QWHCGFSZSA-N 384.263 -0.503 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](CO)C(C)(C)C 2282327723 MLUYZCACOMSGJO-JTQLQIEISA-N 388.299 -0.200 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](CO)CCCO)c2)OC1(C)C 2282353848 YGOXQMLBKLUSAM-CYBMUJFWSA-N 386.279 -0.208 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NC3(C(=O)O)CNC3)c2)OC1(C)C 2282409533 PSQUCOQGPJOVMC-UHFFFAOYSA-N 382.247 -0.309 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(N)CCOC1 2282848197 KLPMXFKHFHGWDH-HNNXBMFYSA-N 386.283 -0.885 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(C)CCNC1 2282849208 XTPRMSLZQCDJMX-MRXNPFEDSA-N 384.311 -0.003 30 10 GBEE CN(CCOCCO)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868547 OWSBLFANOUSGEU-UHFFFAOYSA-N 389.283 -0.651 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@H](O)[C@H]3C(=O)O)cs2)OC1(C)C 2284384694 JEMUIYPHILBRCZ-DLOVCJGASA-N 383.231 -0.322 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCCN2CC2CCC2)CC1 188421623 FXCQZRKQTUTQRF-SFHVURJKSA-N 376.501 -0.229 30 10 GBEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 265570053 HCDOJLQVSVOCSP-UHFFFAOYSA-N 378.454 -0.769 30 10 GBEE Cn1cnc2c1c(=O)n(C/C(O)=N/CC1CCN(CCO)CC1)c(=O)n2C 330008301 GNVVQDYAUVMJMQ-UHFFFAOYSA-N 378.433 -0.906 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1 728531490 KSKYBKTWHMZZHU-UHFFFAOYSA-N 386.500 -0.474 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 1118948465 PFYFYKGJKIHLQO-INIZCTEOSA-N 398.529 -0.021 30 10 GBEE C#CCN(C(=O)C(=O)NCc1c(CC)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1 1343287896 YTOMZPJYIGNMFF-LBPRGKRZSA-N 396.469 -0.744 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(C2CCN(C(C)C)CC2)CC1 1348436269 SYUWFKDLLAMFAJ-KRWDZBQOSA-N 376.501 -0.136 30 10 GBEE CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1490798486 DUXOKQIWTGUFCF-KFWWJZLASA-N 382.486 -0.614 30 10 GBEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCOc2cccc(Cl)c2)c1=O 1652960502 WEOKUBIXTHYESG-UHFFFAOYSA-N 392.799 -0.277 30 10 GBEE C=CCNC(=O)NC(=O)CN[C@@H](C)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1690854311 AMICGJMXFKDCLL-RZLSGREXSA-N 382.461 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CC1(C)OB(c2csnc2C(=O)N2CCN(CC(N)=O)CC2)OC1(C)C 2281798597 KFXJWISTWAIEBL-UHFFFAOYSA-N 380.279 -0.315 30 10 GBEE CCn1cnnc1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2287624509 PSTOOPBGNMXFDZ-UHFFFAOYSA-N 383.243 -0.474 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 32490082 QDKKAXBMNBZPHV-MRXNPFEDSA-N 388.468 -0.138 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1=O 284874903 BDMIESBKUMVLSF-HNNXBMFYSA-N 393.465 -0.178 30 10 GBEE Cc1nsc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C#N 297389667 JGLOEXIIKCNTIB-UHFFFAOYSA-N 392.441 -0.142 30 10 GBEE COCCOCCN(C)C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 297910099 SQELRHGYUXHIJP-UHFFFAOYSA-N 375.429 -0.277 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)C1=O 564104911 LNNUMYDMRVPRPL-DYEKYZERSA-N 375.385 -0.305 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)C1=O 584918306 CWQPPOJDZVNIIY-UHFFFAOYSA-N 385.185 -0.359 30 10 GBEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccnn1C 592171076 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C=CCNC(=O)CN1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 635156647 MNBQMTRISOCWOM-NWDGAFQWSA-N 397.419 -0.344 30 10 GBEE C=CCNC(=O)CNC(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 654801491 ILLIZLBCSNTLGF-SFHVURJKSA-N 387.396 -0.560 30 10 GBEE C=C(Br)CS(=O)(=O)N(CC(=O)O)[C@@H]1CCS(=O)(=O)C1 704594080 ZHIVBKBDMDQGIG-MRVPVSSYSA-N 376.250 -0.202 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2CCOC[C@@H]2C1 756248023 CCYHBKSOLRWLJB-ZDUSSCGKSA-N 378.454 -0.342 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 790106198 WHGULGQHFQPXDI-INIZCTEOSA-N 375.473 -0.099 30 10 GBEE Cn1ncc(S(=O)(=O)N2CCN(CC#N)CC2)c1I 866696851 WCMBLITXDFCCRQ-UHFFFAOYSA-N 395.226 -0.145 30 10 GBEE C#CCN(C(=O)C(=O)NCCNC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1117013515 PYVSRWCMKQXTNW-LBPRGKRZSA-N 397.478 -0.757 30 10 GBEE CN(C)S(=O)(=O)N1CC(NC(=O)C(=O)Nc2ccc(OCC#N)cc2)C1 1118939038 MMMRRJJIJQTZCG-UHFFFAOYSA-N 381.414 -0.866 30 10 GBEE CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1CCOCC1 1119058368 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C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc2[nH]nnc2c1 1686190332 ZNNGXVGBSYDYER-BZPMIXESSA-N 381.396 -0.646 30 10 GBEE C=C[C@@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1703000639 BVVYMAFVSONADJ-ZUMXRPEOSA-N 377.445 -0.453 30 10 GBEE CN(C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C(=O)c1cc(C#N)c[nH]1 1739033087 HSSIWRXOETVJFA-KNCOVGOOSA-N 376.413 -0.513 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1749683261 NTDWGMKUOILCDR-CQSZACIVSA-N 392.460 -0.098 30 10 GBEE N#CCC(=O)N1C[C@H](CN2CCCN(C3CCS(=O)(=O)CC3)CC2)CC1=O 1856315945 LGMWXOOQIVMORL-HNNXBMFYSA-N 396.513 -0.140 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2cncn2C)C1=O 1857143033 AWPSEWMCWLNHKS-AWEZNQCLSA-N 380.412 -0.357 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 1882736617 URCMLPGBGGACOP-UKKRHICBSA-N 392.474 -0.005 30 10 GBEE C[C@H](CS(N)(=O)=O)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2255808524 KOFRMTWSJWVVDE-MRVPVSSYSA-N 375.281 -0.151 30 10 GBEE CN1[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2281986215 PCKQYWFTDPIFJK-SNVBAGLBSA-N 384.267 -0.527 30 10 GBEE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282030748 JWJAILMKZOCQPR-JFGNBEQYSA-N 384.263 -0.365 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1[C@@H]2COC[C@@H]12 2282313601 NHQTXSYOBUMPIL-QWRGUYRKSA-N 384.267 -0.715 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@]3(CO)CCNC3)c2)OC1(C)C 2282419664 WXFJBXVWIMJXFD-INIZCTEOSA-N 383.279 -0.617 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(CO)CC1 2282840198 DUDQEZXLRWJZFH-UHFFFAOYSA-N 386.283 -0.445 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N2C[C@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2284385470 RWGWJBYSVZWXGR-IVZWLZJFSA-N 384.219 -0.927 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]1CC(=O)O 2284412599 CZUSNCBIHGUJTF-SNVBAGLBSA-N 385.251 -0.043 30 10 GBEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342053248 HOQYPIAQNQWNMB-IHRRRGAJSA-N 388.486 -0.109 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 349611750 SZYZAVQGQKQYJX-RYMVTTGASA-N 397.544 -0.525 30 10 GBEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)n2)cc1 371828675 KXMOJHOLWYACGX-INIZCTEOSA-N 395.423 -0.320 30 10 GBEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(CC#N)cc1 564954894 NMNYMQAOTHRBEU-HNNXBMFYSA-N 378.454 -0.091 30 10 GBEE CC(C)Cn1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cn1 588421873 LTZXOGJGVQAIFI-UHFFFAOYSA-N 384.465 -0.123 30 10 GBEE CN(C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 598701250 CDLQGZJCWRYNAQ-QGZVFWFLSA-N 380.470 -0.248 30 10 GBEE C[C@H](C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 798404018 KGTCPVVOGHBTSI-GFCCVEGCSA-N 391.432 -0.094 30 10 GBEE C#CC[C@@]1(C(=O)N2CCN(CC(N)=O)C(=O)C2)CCCN1C(=O)OC(C)(C)C 837974036 ZZMPCDUDKGHYTE-IBGZPJMESA-N 392.456 -0.065 30 10 GBEE N#CCC(=O)N1CCN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)CC1 847579925 UBAFXJCUZBKGIX-UHFFFAOYSA-N 380.426 -0.313 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCN(c2nncn2C)CC1)c1cc[nH]n1 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Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(O)(C(F)(F)F)C1 2282650060 HXGBUHREOOOLLN-UHFFFAOYSA-N 376.144 -0.137 30 10 GBEE C[C@@H]1COCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282836373 IXCRYQFCEZJNGH-GHMZBOCLSA-N 386.283 -0.182 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@H]2CC[C@H]21 2282858428 WWVUMSJNSYMJIS-NWDGAFQWSA-N 382.295 -0.156 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(N)CCCC1 2282868438 NECLCTCGKCDWAG-UHFFFAOYSA-N 385.299 -0.336 30 10 GBEE CNC(=O)[C@H](C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868859 UGXKSNJSUQRGCT-JTQLQIEISA-N 386.283 -0.526 30 10 GBEE CC/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCC[C@]2(CNC(=O)C2)C1 261768623 NVGAKLCNZHODFH-PBHICJAKSA-N 385.534 -0.022 30 10 GBEE Cn1c(=O)c2c(ncn2CC(=O)NCCOc2ccc(C#N)cc2)n(C)c1=O 460274158 HLHUMZZGHVZJPK-UHFFFAOYSA-N 382.380 -0.499 30 10 GBEE COc1ccc(N2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)nc1 601496388 CUHOHVYCSFLGKX-UHFFFAOYSA-N 386.456 -0.203 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1=O 620100170 YTZZZLKTNLTVCI-LBPRGKRZSA-N 377.401 -0.631 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCO[C@](C)(C3CC3)C2)CC1 658446917 JBPOVRRONVNROH-IBGZPJMESA-N 378.473 -0.540 30 10 GBEE C#C[C@H]1COCCN1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 839197785 IONQDYNLULGMFC-INIZCTEOSA-N 393.465 -0.020 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCN2CCCC2=O)n1 846742147 OLUGCCUDWLGSBN-UHFFFAOYSA-N 375.429 -0.770 30 10 GBEE C=C1[C@H](C(=O)N2CCC[C@](CO)(OC)C2)[C@H]1C(=O)N1CCC[C@@](CO)(OC)C1 912391660 CGNATZYONJMBJZ-CPLUKWAASA-N 396.484 -0.212 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1262960575 HAOVHCGPOWEHGW-NWDGAFQWSA-N 377.474 -0.548 30 10 GBEE C=CCNC(=O)NC(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1278805659 PDSINTQNBKDZJJ-ZUMXRPEOSA-N 380.445 -0.881 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCC(=O)NC(C)C)C1 1289688837 VTFGHAZDIPGSNI-WCVJEAGWSA-N 381.473 -0.040 30 10 GBEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 1297303469 HURJYYFIEWZJKP-MRXNPFEDSA-N 394.384 -0.063 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1327293430 DKJATKJPOKXMAU-HUUCEWRRSA-N 395.456 -0.011 30 10 GBEE CC(C)N1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 1328269286 XYPUQELJQIQWEV-OAHLLOKOSA-N 384.440 -0.273 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)CC2)cc1 1330478400 PRISUJUGAHEKQX-HXUWFJFHSA-N 381.436 -0.055 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@H](CC)S(=O)(=O)[C@H](C)C1)C1CCN(C)CC1 1335704843 STLVHXLJLHYTJO-ZBFHGGJFSA-N 383.514 -0.034 30 10 GBEE CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(O)C1=O)c1ccc(S(C)(=O)=O)cc1 1344031161 KAQODBAUHGOEGQ-XJKSGUPXSA-N 383.426 -0.452 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)C1=O 1439102129 WIVJEQQIJCFYSC-IYBDPMFKSA-N 383.426 -0.754 30 10 GBEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncnn1C 1522270562 UQFACPMROJDNPW-KFWWJZLASA-N 375.429 -0.380 30 10 GBEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(CC#N)CC3)c(CCO)c2=O)n1 1544071502 DRRVAQKBWRQGHY-UHFFFAOYSA-N 385.428 -0.611 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](O)[C@H](CO)C3)C2=O)cc1 1570401366 GNIDRYBOLOGMID-NUEKZKHPSA-N 386.408 -0.035 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 1588198955 CGUJNGSSMBCMPI-UHFFFAOYSA-N 393.469 -0.524 30 10 GBEE N#Cc1ncn(CC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)n1 1603400959 IFJKJWKKPIIZNA-SECBINFHSA-N 376.174 -0.013 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2coc(-c3cccnc3)n2)CC1 1643372471 MWHFSKDSWTWWFZ-UHFFFAOYSA-N 375.410 -0.038 30 10 GBEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690643671 NUYTWESKMWXLEF-CHWSQXEVSA-N 380.474 -0.078 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1702907104 ATROUSYZMRTIMO-RFGFWPKPSA-N 378.429 -0.185 30 10 GBEE C=CCNC(=O)CNCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCOCC1 1724920920 RPXZRJHLOLJUBI-YQQAZPJKSA-N 381.473 -0.405 30 10 GBEE CS(=O)(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(C#N)c[nH]1 1757783563 SMEAZPYTFBSPAG-BZPMIXESSA-N 379.442 -0.313 30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)NC(CN)CN)OC1(C)C 2255952527 VGRQEEJKOJRTQT-UHFFFAOYSA-N 375.325 -0.247 30 10 GBEE CC(CO)(CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708550 LVBBISIBVVVKQE-UHFFFAOYSA-N 392.308 -0.395 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCn1ccnc1 2282333341 NEVUJUXFHIDJHD-UHFFFAOYSA-N 381.267 -0.106 30 10 GBEE COC(CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)OC 2282847664 BZIPRUIATGOSCM-UHFFFAOYSA-N 389.283 -0.041 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](C(=O)O)C1 2284393514 LWXMARMZZXKKIF-JTQLQIEISA-N 385.251 -0.186 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)C1=O 569149290 AILDRTVACOAMER-LBPRGKRZSA-N 385.442 -0.221 30 10 GBEE C=CCNC(=O)CN1CCN([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 595285063 KCTGWMJJZCWGIB-HNNXBMFYSA-N 380.489 -0.151 30 10 GBEE CN(C)CCn1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 610870542 ODZRDWOVIICYMB-UHFFFAOYSA-N 396.455 -0.001 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3nncn3C[C@@H]2C(=O)O)c1 643972561 UMPNBYBSLCDRFY-CYBMUJFWSA-N 391.409 -0.148 30 10 GBEE C#CCN(CC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21)CC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 825071324 GRMPQHSONQQXEN-CIJYDTQTSA-N 389.496 -0.335 30 10 GBEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 841548856 KMMGXGOXAURKIB-PIGZYNQJSA-N 393.421 -0.228 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 862194456 KBLMTLVAXDIYKM-CYBMUJFWSA-N 397.453 -0.163 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)C1CCN(C)CC1 910882084 CTZYUPZLAUNWEW-MRXNPFEDSA-N 378.517 -0.154 30 10 GBEE C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1116905766 ANAYYNGZUJXGCJ-AWEZNQCLSA-N 381.454 -0.087 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1CNc2ccccc2C1 1118264718 FUSODEWIUMNXBY-WPCFGXOUSA-N 383.408 -0.218 30 10 GBEE CC1(C)NC(=O)N(CCCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1256403985 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395.437 -0.393 30 10 GBEE C#CCN(c1nnc(CC)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 1740625246 MWINOSGFDQOMMS-ZDUSSCGKSA-N 388.515 -0.098 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 1760521269 OEFQPENBVHPQJE-AWEZNQCLSA-N 391.476 -0.700 30 10 GBEE N#CCC(=O)N1CCCC[C@@H](N2CCN(CCn3ncccc3=O)CC2)C1=O 1854446099 OHAREMHDJFCNCG-MRXNPFEDSA-N 386.456 -0.318 30 10 GBEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)O)C1CS(=O)(=O)C1 1890929852 JBGUAODEGNSHKJ-NWDGAFQWSA-N 388.442 -0.093 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC2CCN(CC#N)CC2)[C@H](O)C1 2197490623 RLNJTIBLJCIKSO-RDTXWAMCSA-N 382.461 -0.177 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](O)C(=O)O)c2)OC1(C)C 2256901580 NUROYMCTEAGVFC-VIFPVBQESA-N 377.249 -0.229 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H](CCO)C1CC1 2282320206 FJTXPQUEMJFJOV-LLVKDONJSA-N 386.283 -0.446 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CCO)CNC3)cc2)OC1(C)C 2282336182 ZPPNYARMNMRTHE-UHFFFAOYSA-N 382.291 -0.012 30 10 GBEE 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380.470 -0.077 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2)[C@@H]1CCS(=O)(=O)C1 1346973922 FGKBJEUBUPETFE-CYBMUJFWSA-N 376.390 -0.056 30 10 GBEE C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)co2)c1=O 1353172058 VJHUBMICAUEVBK-UHFFFAOYSA-N 383.429 -0.194 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(=O)OCC)C(F)(F)F)C1=O 1462916535 NKVWSRFMWZCKET-ZDUSSCGKSA-N 379.291 -0.037 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccnn2C2CCC2)CC1 1464373184 YSJLJFMANSETPB-UHFFFAOYSA-N 387.487 -0.618 30 10 GBEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(C)c1 1510216534 CEHLNRBDFWOXTG-YPMHNXCESA-N 394.461 -0.601 30 10 GBEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539118633 CLCURXPIQSANEE-OAHLLOKOSA-N 399.459 -0.469 30 10 GBEE CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1567893658 CZUVGQAMVIFHBA-UIBIWLFHSA-N 378.473 -0.009 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)n1 1684434631 FICXXACDJXGFHU-UHFFFAOYSA-N 398.489 -0.835 30 10 GBEE 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386.478 -0.584 30 10 GBEE CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](CO)C1 1586015474 GKOTXLMTMFFBFS-CVEARBPZSA-N 385.424 -0.102 30 10 GBEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)o1 1620350531 HYHKAWGCCLYDFY-ZDUSSCGKSA-N 390.425 -0.023 30 10 GBEE C#CCN1CCCN(C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)CC1 1629542356 KJMSDBACNJXNMJ-UHFFFAOYSA-N 383.452 -0.024 30 10 GBEE CS(=O)(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1652521019 JWFOCUIGZGHTAM-HZMBPMFUSA-N 387.439 -0.661 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1690669915 SCRSDPYDQPPMJE-CQSZACIVSA-N 389.460 -0.410 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnn(C)n1 1719894251 GCVARMMLVXFZIQ-SYQHCUMBSA-N 375.433 -0.457 30 10 GBEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722684907 AQPQMJLNTKEGNA-CYBMUJFWSA-N 387.444 -0.658 30 10 GBEE C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCO1 1724815940 QTWNMEFOOUCVQD-HLUFSKSISA-N 392.456 -0.761 30 10 GBEE C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1731779973 QOMVDPNAZKIVMA-CBBWQLFWSA-N 382.461 -0.514 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748970718 OSNOMVINVBVWKB-PBHICJAKSA-N 398.485 -0.235 30 10 GBEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(=O)N2CCOCC2)CC1 1760257630 BYJZVIOAFIPTKC-UHFFFAOYSA-N 395.467 -0.046 30 10 GBEE Cc1nc(S(=O)(=O)NCC[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)n1C 2267734123 XWLMGFDYVPMKBT-DEOSSOPVSA-N 391.324 -0.315 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1cn[nH]c1 2282346444 VOZIOHAXLVKMBD-UHFFFAOYSA-N 381.267 -0.037 30 10 GBEE CC[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CO1 2282868317 LSMAHRDPALNZSV-WDEREUQCSA-N 386.283 -0.040 30 10 GBEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2288910635 VUGIXHRYAGLYBG-WDEREUQCSA-N 386.283 -0.352 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)OC1(C)C 2362506626 BFDFIGGQHOTDBZ-KXGXSXBTSA-N 384.263 -0.725 30 10 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389.456 -0.382 30 10 GBEE C=CCn1c([C@@H]2CC=NO2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1342226152 NMLSMGOCXMRZDP-HNNXBMFYSA-N 389.460 -0.108 30 10 GBEE C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CS(=O)(=O)NC)c1 1347046231 OZHPQKPFKDADMV-ILXRZTDVSA-N 376.438 -0.526 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O 1347603777 GQCAYMHQBNIHMO-CYBMUJFWSA-N 379.438 -0.593 30 10 GBEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1435079061 HJIBRQHZGUAAOW-HNNXBMFYSA-N 378.454 -0.638 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(C2CS(=O)(=O)C2)C1 1468271784 NXWRZDYTYDYZIY-UHFFFAOYSA-N 397.478 -0.382 30 10 GBEE C#CC1(O)CN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1473860640 AIASNTVRDUQOQQ-UHFFFAOYSA-N 391.472 -0.144 30 10 GBEE C#CCNC(=O)[C@@H](C)NC1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1484419711 CPEDNHHDBSLNER-MATIZBOZSA-N 388.512 -0.282 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1490799368 WIIPPMLLMGKCFB-DGAVXFQQSA-N 376.413 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C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1CCCO1 773548797 NJNBRLVNIHZDRB-CABCVRRESA-N 386.474 -0.929 30 10 GBEE C#CCNC(=O)CN(CC(=O)NCC#C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 824022218 SCRMOBGNMDOYJP-UHFFFAOYSA-N 392.393 -0.916 30 10 GBEE C=CCCOCCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861737241 YHAROXNEECQLSG-CABCVRRESA-N 380.445 -0.521 30 10 GBEE Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CCF)c2)c1=O 901809963 VORSIQOOYQLSHT-UHFFFAOYSA-N 375.429 -0.262 30 10 GBEE C#CCN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 932709118 VMZWLADPXMABGS-AWEZNQCLSA-N 385.486 -0.202 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 1215339063 FLHFIJNVOFUECL-UHFFFAOYSA-N 381.458 -0.079 30 10 GBEE C#C[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1310011779 IRLBXBOHJXQUNA-LBPRGKRZSA-N 383.426 -0.168 30 10 GBEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1321210166 STQQJQCHYKHAOF-FUOHODRYSA-N 384.458 -0.263 30 10 GBEE C#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1563968057 YAPVHYBATHHYNN-CVEARBPZSA-N 388.472 -0.035 30 10 GBEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1589708370 JWNCODUBHAJGEJ-VXGBXAGGSA-N 383.478 -0.322 30 10 GBEE CN1CCN(c2ncccc2CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1598222537 HAFDSZYCTUKVFU-UHFFFAOYSA-N 397.439 -0.326 30 10 GBEE N#C[C@]12CN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C[C@H]1CS(=O)(=O)C2 1598568418 UNQWHKAPIKBDOX-DMDPSCGWSA-N 378.497 -0.697 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 1627014752 CZASKSGFSINXFG-KGLIPLIRSA-N 377.363 -0.384 30 10 GBEE COC(=O)CCN(CC#N)C(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1635948641 GMWHCODQMHIDFC-GWCFXTLKSA-N 389.455 -0.309 30 10 GBEE N#C[C@]12CN(CC(=O)NC3CCC4(CC3)OCCO4)C[C@H]1CS(=O)(=O)C2 1655770575 JUYMHLNWFDYSRV-XJKSGUPXSA-N 383.470 -0.342 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1705582380 AANDNBWTSKWOJU-CABCVRRESA-N 378.454 -0.332 30 10 GBEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1=CCCOC1 1706891938 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C#C[C@H]1COCCN1C(=O)C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1327293427 DKJATKJPOKXMAU-GJZGRUSLSA-N 395.456 -0.011 30 10 GBEE CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 1329326434 OVGZMNAWTDCRSP-UHFFFAOYSA-N 399.451 -0.434 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)CCN1S(C)(=O)=O 1330457367 NAKBMHRHXJVDAP-GFCCVEGCSA-N 376.438 -0.107 30 10 GBEE CS(=O)(=O)N1CCC(NC(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 1332178351 ACFJIZNJLNOJAA-UHFFFAOYSA-N 378.454 -0.091 30 10 GBEE N#CCNC(=O)CNC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1333658627 OZWQZSYIPKVPDP-UHFFFAOYSA-N 387.444 -0.158 30 10 GBEE CC[C@@]1(CO)CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1346275103 AFOFHQPHTWSROK-LGHUBQEGSA-N 378.429 -0.360 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1354791419 KNVNVDXDJLNNJT-QGZVFWFLSA-N 376.501 -0.087 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCOC 1523593017 QPFBZXXXVFXVBG-CQSZACIVSA-N 380.449 -0.282 30 10 GBEE N#Cc1cn(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c(=O)nc1O 1565056578 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30 10 GBEE C#CCN1CCC[C@H](NC(=O)[C@@H]2[C@H](O)[C@H](O)CCN2C(=O)OC(C)(C)C)C1 2204060635 DAGWFZMHBKFUSG-XUWVNRHRSA-N 381.473 -0.069 30 10 GBEE C=CCN1CCN(C(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C)C1=O 2236896438 NJNPEDXSFHJMEU-XDQVBPFNSA-N 383.445 -0.427 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CO)C(=O)O)c2)OC1(C)C 2256894295 CACKJLNSLRYZRS-SECBINFHSA-N 377.249 -0.229 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(O)(CN)C2)OC1(C)C 2267412359 LRXPKCNJACZCAJ-UHFFFAOYSA-N 389.308 -0.723 30 10 GBEE C=C(CS(=O)(=O)N1C[C@H](O)[C@@H](O)[C@H](CO)C1)B1OC(C)(C)C(C)(C)O1 2273691909 CJXQGHDSFQCJBN-AVGNSLFASA-N 377.268 -0.850 30 10 GBEE C[C@@H]1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)CCS1(=O)=O 2282045515 YCLQIPNSQBRJGH-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CC(C)NC(=O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502659 OHNSJRCJPMMXGB-UHFFFAOYSA-N 386.283 -0.478 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 2282625192 RSOTVNKWJAKUEM-SNVBAGLBSA-N 384.267 -0.579 30 10 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Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1C[C@H]1C(=O)O 2284411863 PGRMEFSCXFIQRU-VHSXEESVSA-N 385.251 -0.282 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H](CCO)C(=O)O)c2)OC1(C)C 2284416348 WZAUGKVQKILPGJ-LBPRGKRZSA-N 386.235 -0.505 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N[C@H](CCS)C(=O)O 2299055558 ISJQDZGECDDFHF-RKDXNWHRSA-N 384.476 -0.186 30 10 GBEE C#CC(CO)(CO)NC(=O)C1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2365048439 KCZMELPUUBWRMX-UHFFFAOYSA-N 381.473 -0.210 30 10 GBEE C#CC1(N(C)C)CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 2370145475 SWZUDIBUMLBVKO-KKUMJFAQSA-N 381.473 -0.117 30 10 GBEE C#CC(CO)(CO)N[C@@]1(C(=O)O)C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 2379604349 XTFFSCWVUFSRRQ-JCGVRSQUSA-N 384.429 -0.446 30 10 GBEE CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257631022 XTODSGVDHGMKSN-YYRUAKPJSA-N 386.441 -0.587 30 10 GBEE endogenous,in-man CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]1(C#N)CCOC1 349452169 DBDYWHKEORKQSB-CQSZACIVSA-N 377.488 -0.394 30 10 GBEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 469075623 VYYCJAPTSKLIDW-GFCCVEGCSA-N 390.425 -0.023 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC1 492337081 VQGRFWRUQJJPTN-LBPRGKRZSA-N 379.490 -0.065 30 10 GBEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC3(N)CCOCC3)C2=O)cc1 599942323 AKVQFTWDTAMLOA-INIZCTEOSA-N 399.451 -0.206 30 10 GBEE C#CCOCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806968504 DPRKPUSAASANAF-CABCVRRESA-N 385.420 -0.212 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)CC1 828759362 RXZKCSXXKSLTJJ-UONOGXRCSA-N 385.486 -0.034 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCc2nnc(S)n2CC)CC1 854158617 YNQVDVLVQVDHLF-UHFFFAOYSA-N 381.506 -0.241 30 10 GBEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 854765669 PGNMJSUKYNSXQB-CYBMUJFWSA-N 398.437 -0.033 30 10 GBEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C(=O)OC(C)(C)C)nn2C)CC1 895918288 LXMPAKOSEYMBFG-UHFFFAOYSA-N 397.501 -0.039 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)[C@H]1CCS(=O)(=O)C1 1117365002 APZNLFUHCVGMMT-ZNMIVQPWSA-N 397.497 -0.602 30 10 GBEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CN(C)CCN1C 1147350906 DNEUQBZECHPZIV-XJKSGUPXSA-N 379.486 -0.413 30 10 GBEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156675488 JOLSCNBGUCRUPM-OZVIIMIRSA-N 387.458 -0.341 30 10 GBEE N#C[C@@]12CN(CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@H]1CS(=O)(=O)C2 1198072634 XSHHCHSMMINIJS-GUYCJALGSA-N 376.438 -0.016 30 10 GBEE C[C@@H]1C[C@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CN1C1CC1 1323596334 BEEPMTCLQRMRBV-IYGFFZQVSA-N 375.429 -0.630 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1331313406 ZXERZSLKIYUXKZ-IRXDYDNUSA-N 390.484 -0.608 30 10 GBEE C=CCn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1339918415 QMHZIDJFYUERFC-KGLIPLIRSA-N 389.460 -0.012 30 10 GBEE C=CCn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C1(OC)CC1 1340668294 JDWJABPLFCKXRK-UHFFFAOYSA-N 378.477 -0.016 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)C1=O 1538457720 UVYHRBRICPRKKH-MJBXVCDLSA-N 395.412 -0.615 30 10 GBEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)NCc1cccc(C#N)c1 1644109337 NRHZVPMVXFDWSF-OAHLLOKOSA-N 379.438 -0.163 30 10 GBEE COCCN(CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1670998475 CWDSFOVAJQNWKG-BCDMZGRMSA-N 390.484 -0.011 30 10 GBEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1705899821 HXSRHKBONIFTOA-UHFFFAOYSA-N 399.455 -0.063 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1740958801 VGGNHZKTRWQOOI-GFCCVEGCSA-N 397.430 -0.082 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)CC1 1760523126 MYDQJJLLYZWGII-UHFFFAOYSA-N 386.460 -0.194 30 10 GBEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)C3CN(S(C)(=O)=O)C3)C(=O)C2)C1 1856837649 ULJIFHBHUAAAJQ-OAHLLOKOSA-N 384.502 -0.801 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(C[S@@](C)=O)C1 2282192392 WVLUSBYUZZTEPU-AREMUKBSSA-N 382.295 -0.045 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2359402750 NTEGBFBKYHTHHA-IJLUTSLNSA-N 383.231 -0.322 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CCC(N)(C(N)=O)CC2)OC1(C)C 2362573735 OLVUUWGGAMLRRQ-UHFFFAOYSA-N 380.279 -0.139 30 10 GBEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC(CO)(CO)C(=O)O 2370213562 AULUZIZDOAIKDA-UHFFFAOYSA-N 385.247 -0.106 30 10 GBEE CN(C)c1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)cc1 252626903 RICRBSPCZWCVQA-UHFFFAOYSA-N 385.428 -0.062 30 10 GBEE Cc1nnc(CN/C(=N/C2CC2)N2CCN(c3nccn(C)c3=O)CC2)n1C 262007336 VXHLSFUNGFNNOE-UHFFFAOYSA-N 385.476 -0.353 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@]2(C)CCCO)CC1 410988366 SGJRWUCJLRDIIJ-IBGZPJMESA-N 380.489 -0.414 30 10 GBEE Cc1cc(NC(=O)C(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)n(CCC#N)n1 525899054 SOZNTXOOAVVROA-UHFFFAOYSA-N 385.432 -0.185 30 10 GBEE C=CCSCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 542817560 TZRAZKYFDORYCO-UHFFFAOYSA-N 378.520 -0.190 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)n1 561885280 SRXGZGCIOJKROQ-AWEZNQCLSA-N 396.451 -0.271 30 10 GBEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c(F)c1 586860107 SPKSAYSWLWOQME-UHFFFAOYSA-N 387.415 -0.264 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)CC1 637251359 KXAZDFOJZRFBJN-AEFFLSMTSA-N 392.500 -0.103 30 10 GBEE C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)[C@H]1CCS(=O)(=O)C1 759696966 GPDOQNBSWSLSST-ZDUSSCGKSA-N 399.494 -0.297 30 10 GBEE CCN(CCCNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)S(C)(=O)=O 793766628 QTKCZCNURFQYOQ-UHFFFAOYSA-N 396.469 -0.029 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)CC1 872515506 OVASPCNIIDQOKQ-UHFFFAOYSA-N 398.510 -0.547 30 10 GBEE C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 875576383 WMNGVPPTZYYELS-QZTJIDSGSA-N 388.468 -0.057 30 10 GBEE C#CCN(CC(=O)N1CC[C@H](N2CCC2)C1)CC(=O)N1CC[C@@H](N2CCC2)C1 912900717 QQQHVYNFKLPWQV-KDURUIRLSA-N 387.528 -0.465 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1)C1CCN(C)CC1 1120500052 JBOAZQPLGBITJJ-WMZOPIPTSA-N 395.500 -0.585 30 10 GBEE C=CCn1c([C@@H]2NC(=O)N(C)C2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1121730971 JGKYHFFMTJEBET-KBPBESRZSA-N 389.460 -0.155 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)C1=O 1129767596 ZKBPXBMKYYDCAE-NWDGAFQWSA-N 375.385 -0.267 30 10 GBEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1 1300479590 PVWPBTVEJPJXKG-GRDNDAEWSA-N 398.485 -0.379 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC2(CC1)OCCO2 1320252071 GGAXHKLCDPDNGZ-ZDUSSCGKSA-N 378.472 -0.808 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@]4(C3)CC4(F)F)C2)c(=O)nc1O 1328925186 WDWJQLOGKOPPGV-OAHLLOKOSA-N 379.323 -0.538 30 10 GBEE C#CCN(C(=O)C(=O)NCC(C)(C)C(=O)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1329248007 GOAWXNAKXWYPDS-AWEZNQCLSA-N 397.497 -0.600 30 10 GBEE C#CCN(C(=O)C(=O)N1CCO[C@@]2(CCSC2)C1)[C@H]1CCS(=O)(=O)C1 1332355318 FEGZQGABIXXEMM-BBRMVZONSA-N 386.495 -0.630 30 10 GBEE C#CCN(C(=O)C(=O)NC1CCN(CCN(C)C)CC1)C1CCN(C)CC1 1333785946 NISFOKDDIXTZSV-UHFFFAOYSA-N 377.533 -0.315 30 10 GBEE C#CCN1CCC[C@H]1c1nnc(N2CCN3[C@@H](CNS3(=O)=O)C2)n1CC=C 1339795964 GYJWRAFMQRXCTC-GJZGRUSLSA-N 391.501 -0.427 30 10 GBEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1463243567 QCODBCKZKXKLEP-HIFRSBDPSA-N 384.392 -0.247 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@H](OC)C1 1489530558 YCZMZCHLVTURRH-LVQVYYBASA-N 377.445 -0.319 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1507601248 OFPBTXDLLKVYDF-SJCJKPOMSA-N 394.501 -0.031 30 10 GBEE CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)Cn1cc(C#N)c(O)nc1=O 1543750171 CFVMNHXYJHXZCO-GFCCVEGCSA-N 380.401 -0.115 30 10 GBEE C[C@H](CC(=O)N[C@H](CO)c1nncn1C)/N=C1/NS(=O)(=O)c2ccccc21 1640995724 ROEKOEADHBZPNV-ZYHUDNBSSA-N 392.441 -0.518 30 10 GBEE C#CCNC(=O)[C@H](C)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1689139521 RYNAJHWUYLBKOW-ODRUYCQJSA-N 399.451 -0.551 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690669278 ZYKNKJFHZBLBQB-LBPRGKRZSA-N 391.457 -0.339 30 10 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10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1573005834 GBHFGYGRMOHLHG-KBXIAJHMSA-N 378.429 -0.784 30 10 GBEE C#CC[C@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OC 1626188275 UZAPTCHIFFKCLG-AWEZNQCLSA-N 376.413 -0.059 30 10 GBEE CON(C)C(=O)[C@H](CCSC)NC(=O)CCn1cc(C#N)c(O)nc1=O 1632414795 OTEPKJUXZYDEHC-NSHDSACASA-N 383.430 -0.532 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2ncc3cc(C)cnc32)CC1 1636479450 BCKLPRBFUYQGJC-UHFFFAOYSA-N 376.442 -0.648 30 10 GBEE C#CC[C@]1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CCCN1C(=O)OC(C)(C)C 1641443580 DMDHDKXEANHGNR-VLXJIEOASA-N 392.456 -0.175 30 10 GBEE N#C[C@@]12CN(C(=O)COCC(=O)NCc3cccnc3)C[C@H]1CS(=O)(=O)C2 1645267812 NYXMOZFVMUPEOG-YOEHRIQHSA-N 392.437 -0.889 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2OCC(=O)N3)CC1 1672085245 UAFOJTWWDKVNSR-UHFFFAOYSA-N 393.425 -0.365 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(CC(N)=O)CCCCC2)CC1 1684177451 PDIFDTSWXTUCJK-UHFFFAOYSA-N 399.517 -0.393 30 10 GBEE 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30 10 GBEE C#CCNC(=O)[C@H](C)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1570303140 KOPXUHICXMFXDA-NEXGVSGLSA-N 375.469 -0.197 30 10 GBEE COc1ccc(CN(CCO)C(=O)Cn2cc(C#N)c(O)nc2=O)c(OC)c1 1633086607 DFDZGLAKLMZXSZ-UHFFFAOYSA-N 388.380 -0.141 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2-c2ccco2)CC1 1636480681 UQPCBHPERFGPAD-UHFFFAOYSA-N 377.426 -0.095 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 1651360851 KGGAIJSAAGZPDF-UHFFFAOYSA-N 397.413 -0.244 30 10 GBEE C#CCNC(=O)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1656309876 XACMWIZKLGBOAB-MXYBEHONSA-N 391.390 -0.043 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@@H]1O 1702392494 CGIAVMCORPZLCT-NCOADZHNSA-N 393.484 -0.038 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1 1772566470 NDDQJHFLCZLLEV-UPJWGTAASA-N 378.433 -0.619 30 10 GBEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O 2281808680 WRUBSNPFTGLXNR-RYUDHWBXSA-N 385.247 -0.225 30 10 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30 10 GBEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cn(C)c(=O)nc2O)c1 1661488975 COGDMAGAZPCMBU-UHFFFAOYSA-N 376.394 -0.274 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)NC 1686038763 KQAMSEOYRCKULU-UGUYLWEFSA-N 375.473 -0.349 30 10 GBEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1690643519 DYHFLKIPHBORLI-ZDUSSCGKSA-N 383.474 -0.339 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 1702555452 MCPSCCTXPXUPGG-YJNKXOJESA-N 387.502 -0.082 30 10 GBEE C=CCC1(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)CCCC1 1719286881 FRHKVXAHVUSLEQ-CBBWQLFWSA-N 379.457 -0.156 30 10 GBEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(-n4cccn4)nn3)C(=O)C2)C1 1855072618 KUATVSRHCPHFRF-HNNXBMFYSA-N 394.439 -0.065 30 10 GBEE CN1C[C@@H](C(=O)N[C@H](CCS)C(=O)O)N(C(=O)OC(C)(C)C)CC1=O 2059850144 VUTPWCDABUBDRA-ZJUUUORDSA-N 375.447 -0.047 30 10 GBEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(S(=O)(=O)N3CC(C#N)C3)CCN2C1=O 2174782522 RCHUMOMFXXMHJZ-STQMWFEESA-N 399.473 -0.504 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CC1 2193519584 PLAFAZLNWJDMGI-AWEZNQCLSA-N 384.477 -0.292 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 2282033507 UYYJGUSFLOGUJA-NSHDSACASA-N 383.279 -0.116 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCS(N)(=O)=O 2282034816 NAOKVKWQGQAOMG-UHFFFAOYSA-N 386.283 -0.482 30 10 GBEE COCC[S@@](=O)CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282045576 YTXDAERRQSGLRT-SANMLTNESA-N 385.295 -0.156 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC2(CC[C@@H]2O)C1 2282862488 DFEQJCUACXRBSY-NSHDSACASA-N 383.279 -0.135 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)C1=O 297951580 UKWNNQRIJALIGN-OAHLLOKOSA-N 386.456 -0.321 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CCO1 409496742 ACQDYSYMWVQBEZ-LBPRGKRZSA-N 378.476 -0.998 30 10 GBEE N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 568692322 MGZUOURMERBERA-INIZCTEOSA-N 393.469 -0.721 30 10 GBEE 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C#CCN(C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1330690703 NHTVYJJELXTNHD-HOTGVXAUSA-N 383.514 -0.128 30 10 GBEE C#CCN1CCCC[C@@H]1c1nnc(N2CCN3[C@H](CNS3(=O)=O)C2)n1C 1351051918 XGYMPOSKIKVURL-ZIAGYGMSSA-N 379.490 -0.686 30 10 GBEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(CC(N)=O)nn2)c1 1351600092 FJVHQGCBXZRQBS-UHFFFAOYSA-N 396.407 -0.750 30 10 GBEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507632747 PLWSKSVMSCPKNU-UONOGXRCSA-N 395.485 -0.503 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1 1508093370 UWKFUTSIICKOMC-LSDHHAIUSA-N 376.461 -0.395 30 10 GBEE C#CCNC(=O)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1536874053 ASBOJGZLLITCDX-OJFPTFHUSA-N 377.441 -0.715 30 10 GBEE C[C@H](CC(=O)N1CCC(CO)(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1557691040 WVGYMUFYMRZUJZ-GFCCVEGCSA-N 381.454 -0.293 30 10 GBEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585654360 CGARGCBNKWMYBM-MGPLVRAMSA-N 376.394 -0.155 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCSC2)CCO1 1620355007 FXYXGESYAQQTPB-BFQNTYOBSA-N 378.458 -0.174 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(N)=O)C2CCOCC2)cc1 1644585696 MPTSKIMLYUTENC-UHFFFAOYSA-N 379.438 -0.295 30 10 GBEE CCOC(=O)C1(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCOCC1 1648790517 LIGCDUHECXIKNB-UHFFFAOYSA-N 390.396 -0.046 30 10 GBEE Cn1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c(=O)n(C)c1=O 1651221132 OXHOFQWMZKVQKX-UHFFFAOYSA-N 386.364 -0.398 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)C1=O 1653474806 HKVTVJAWOXDFHD-UHFFFAOYSA-N 375.341 -0.901 30 10 GBEE C=CCn1cc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1680891741 RODNGYQVOKTCJU-NHIYQJMISA-N 377.445 -0.077 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)CNC(C)=O 1686205828 XMPCPSODWMHIIO-KFWWJZLASA-N 376.457 -0.464 30 10 GBEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)no1 1692993981 FVDNQYYJVHWCPX-YPMHNXCESA-N 395.445 -0.038 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC=C 1722351354 IGRWSTONSYNGET-CYBMUJFWSA-N 386.499 -0.150 30 10 GBEE C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CS(C)(=O)=O)nn1 1736461897 QNPRUZUAFRFQGF-DYEKYZERSA-N 381.458 -0.240 30 10 GBEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1740671958 SJUYVMYBDHPPMN-CQSZACIVSA-N 395.485 -0.502 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2[C@H](O)C[C@H]2C1 2282350645 PVYKBAQMTPJDII-DMDPSCGWSA-N 383.279 -0.279 30 10 GBEE Cc1nc(C(=O)NCC2(C(N)=O)CNC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282513525 RMXHWEWEYBZVLW-UHFFFAOYSA-N 380.279 -0.445 30 10 GBEE C[C@@H](C1CNC1)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282858615 ZSHMQUJWSCRTLK-NSHDSACASA-N 384.311 -0.052 30 10 GBEE COC(=O)CCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282865263 RGHOKPQBDBHAKE-UHFFFAOYSA-N 387.267 -0.049 30 10 GBEE C#CC1(N(C)C)CN(C(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)C1 2351746424 VJOHTQNEDVWSLY-UHFFFAOYSA-N 385.486 -0.204 30 10 GBEE 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CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C#N)c1 1443958433 CRSPTZPRLMDXHS-NSHDSACASA-N 387.439 -0.881 30 10 GBEE N#C[C@]12CN(C(=O)c3ncnc(O)c3Br)C[C@H]1CS(=O)(=O)C2 1456612722 JBYHIPIANRLIKG-JVXZTZIISA-N 387.215 -0.045 30 10 GBEE C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1490799078 UFCOOHVCLGTMBZ-KFWWJZLASA-N 375.429 -0.822 30 10 GBEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1503116720 FLVHHLZPDZGIAU-KGLIPLIRSA-N 398.489 -0.175 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1508093142 UFSWXIFGJCZIRH-QWHCGFSZSA-N 383.474 -0.293 30 10 GBEE C#CCN1CCN(c2nnc([C@]3(C)C[C@@H](O)CN3C)n2C[C@H]2CCOC2)CC1 1516346571 JGNAQQCFSDMNKP-HLIPFELVSA-N 388.516 -0.019 30 10 GBEE C=CCn1c(N2CCN(c3nncn3C)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1520567381 CVVYFYSELSCVTR-KDOFPFPSSA-N 387.492 -0.169 30 10 GBEE Cn1ccnc1C1(O)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1588306445 XOCCMSQXZHTRAN-UHFFFAOYSA-N 375.410 -0.811 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([S@@](C)(=N)=O)CC2)cc1 1594827735 UTWDGOQTNVTQNT-XMMPIXPASA-N 384.483 -0.053 30 10 GBEE COCC#CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1624968769 AKNFDXBUSZDUQW-UHFFFAOYSA-N 380.422 -0.060 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)nc2OC)CC1 1658741044 ZKCBEOUNLFCLBI-UHFFFAOYSA-N 383.430 -0.284 30 10 GBEE C=CCCC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)OC 1664237847 RVRZGJPYCDNGJH-LBPRGKRZSA-N 383.492 -0.704 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)COC 1686101357 VSWQSKMDBAUVNQ-OWYFMNJBSA-N 379.457 -0.022 30 10 GBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCc2nnc(O)n2C1 1702922328 KXKVHXNNSQVFCJ-CRWXNKLISA-N 375.429 -0.003 30 10 GBEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)N2CCOCC2)CC1 1705637824 NERQUAIRZLUBOP-UHFFFAOYSA-N 397.483 -0.102 30 10 GBEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)CCO 1869929873 OPWYGCXPGKYICE-WFASDCNBSA-N 383.470 -0.047 30 10 GBEE COC[C@H](CF)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 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GBEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@H](N3CCNCC3=O)C1)C2 1329153690 PKKCILDBAXILLM-KRWDZBQOSA-N 381.436 -0.177 30 10 GBEE C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 1329563862 BZZSOTXMQNNEHG-UHFFFAOYSA-N 394.453 -0.421 30 10 GBEE C#CCN(c1nnc(CN2CCC(CO)CC2)n1C)[C@@H]1CCS(=O)(=O)C1 1338517634 BIIFOACAKNTREM-OAHLLOKOSA-N 381.502 -0.354 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)cc1 1347433380 QJTGDRZZYGIULS-GOSISDBHSA-N 393.465 -0.883 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCS(C)(=O)=O)CC1 1359035633 ZEDUHBBFDPBCDB-AWEZNQCLSA-N 394.501 -0.581 30 10 GBEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1443535280 XHDRIKNYUFQVIT-YZGLPLCXSA-N 378.429 -0.098 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1cncn1C 1585907352 UFGABBGDWDOBOU-SMDDNHRTSA-N 377.426 -0.192 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnnn2C)CC1 1588929469 AJLGWRDPXGCLBP-HNNXBMFYSA-N 398.471 -0.075 30 10 GBEE Cc1cc(C#N)c(O)nc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 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C[C@H](C(O)=Nc1cnn(CC(=O)N2CCN(C)CC2)c1)N1CCN(C)CC1 329121851 QTCAFTOVYMZEHR-OAHLLOKOSA-N 377.493 -0.119 30 10 GBEE CN(C)C(=O)CCN1CCN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 329920232 GWYMQRHWRIDMTF-CQSZACIVSA-N 389.522 -0.580 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCOC[C@H]2C2CC2)c1=O 378326927 AMWLVUVIFJRKMN-AWEZNQCLSA-N 376.413 -0.819 30 10 GBEE CN[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 420115337 GNMFVTSEAVAZFO-ZDUSSCGKSA-N 393.469 -0.885 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)CC1 531147822 OOGQINJEZHNLJD-UHFFFAOYSA-N 391.497 -0.263 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)CC1 570317684 FUZKRILMZGYQLA-ARFHVFGLSA-N 378.473 -0.493 30 10 GBEE Cc1cc(NC(=O)C(=O)NCCN2C[C@H]3CCCCN3C2=O)nn1CCC#N 595202530 ZFOWRBGMIDHFMN-CQSZACIVSA-N 387.444 0.450 30 10 GBEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)C[C@@H](O)C2)CC1 611429979 MNYSJBSEKZRBMB-KSZLIROESA-N 376.432 -0.038 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 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10 GBEE C#CCN(C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H]1CCS(=O)(=O)C1 1319796848 SMBLXGRSBFPYNT-AHIWAGSCSA-N 396.469 -0.461 30 10 GBEE C=CCCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1329473100 IIHDRUJOTBFVKY-UHFFFAOYSA-N 383.470 -0.002 30 10 GBEE C=C[C@H](O)c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1CC1CC1 1345174988 JAUABFZLFIKYAN-HNNXBMFYSA-N 378.477 -0.208 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCN2C)C1 1348638451 GTBKNERLQHCNPE-INMHGKMJSA-N 397.483 -0.062 30 10 GBEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1588645933 FKPBXKLTRXINDI-CYBMUJFWSA-N 393.473 -0.557 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2CCOC[C@H]2C1 1595544207 FZSMCDGYLKFMIJ-HZPDHXFCSA-N 390.488 -0.005 30 10 GBEE N#Cc1cn(CCNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)c(=O)nc1O 1633550397 PGICSVNMQYWBAX-JTQLQIEISA-N 387.318 -0.262 30 10 GBEE CN(C)CC#CCNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1639131211 ZTPCOXGEXPPFTA-UHFFFAOYSA-N 379.486 -0.269 30 10 GBEE C=C[C@](C)(O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nncn1C 1686245492 SAQTUYRWPXMVKB-ZXTQRBJTSA-N 377.445 -0.093 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)OC)CC1 1705638974 CTUIFCJXOXJBCY-LSDHHAIUSA-N 381.502 -0.030 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CCCS2(=O)=O)CCO1 1731187675 VTGJUEPVHWXWKN-UONOGXRCSA-N 396.473 -0.106 30 10 GBEE CC[S@](=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267375230 DPYKERYTJQZTJY-DEOSSOPVSA-N 391.324 -0.234 30 10 GBEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267710623 YMJYEBIZFMXAQP-JUZXBQNTSA-N 391.324 -0.235 30 10 GBEE Cn1ncc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2281819805 TVXJLWGAJWEAER-NSHDSACASA-N 383.279 -0.022 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC(O)(C(N)=O)C2)OC1(C)C 2282345751 QYZIQDBTDXLULU-UHFFFAOYSA-N 382.247 -0.794 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCc2cnn[nH]2)n1 2282490949 JUXBXWIDUDYYRR-UHFFFAOYSA-N 382.255 -0.642 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@](C)(O)CCO 2282849023 VQABXQYMLAIANK-HNNXBMFYSA-N 389.283 -0.869 30 10 GBEE CON([C@@H]1CCNC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282857136 DDQZHZJKNBAUPQ-LLVKDONJSA-N 386.283 -0.367 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CNCC12CC2 2282865024 OFLASHXVJXBGIN-JTQLQIEISA-N 383.283 -0.855 30 10 GBEE Cc1nn(C)cc1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868195 KEVYNZWQJJVKTA-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE CC1(C)O[C@@H]2[C@H](COS(C)(=O)=O)O[C@H](n3cnc4c(=O)[nH]cnc43)[C@@H]2O1 34201462 BIHMALHFZFJBCY-YTDXRRJTSA-N 386.386 -0.487 30 10 GBEE biogenic CC/N=C(/NC[C@H](C)N1CCOCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261719492 IEKSRNLQNOBVLP-IFXJQAMLSA-N 394.520 -0.017 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)N3CCN(c4cnccc4C#N)CC3)cnc21 557747018 JGLNILUMIGWEMK-UHFFFAOYSA-N 378.396 -0.255 30 10 GBEE COCc1noc(CN2CCN(C(=O)C(=O)N3CC[C@@](C)(C#N)C3)CC2)n1 595169430 KQKQKWJOPXNPAU-KRWDZBQOSA-N 376.417 -0.378 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)C(C)(C)C2)c1=O 756885228 HZBLIIBRKMUKMW-UHFFFAOYSA-N 384.458 -0.990 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)ccc1F 782038761 SNUMEOHMFCMCKQ-SECBINFHSA-N 379.435 -0.303 30 10 GBEE C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)[C@H]1CCCO1 808137600 YZWAGUCLLCRLGO-SOUVJXGZSA-N 387.440 -0.676 30 10 GBEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)n1 856588935 IUIKTADUYRNFIG-DOMZBBRYSA-N 385.446 -0.529 30 10 GBEE C=C1[C@@H](C(=O)N2C[C@@H](OC)C[C@]2(C)CO)[C@H]1C(=O)N1C[C@H](OC)C[C@]1(C)CO 913656778 CVERRYMECLFZTI-HMOFWBTOSA-N 396.484 -0.215 30 10 GBEE CON(C)C[C@H](O)Cn1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cn1 1137576580 VBYJVGSFCBPSFN-INIZCTEOSA-N 386.412 -0.023 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21)[C@H]1CCS(=O)(=O)C1 1323501556 MRQKMBFDQGZSHP-RDJZCZTQSA-N 389.477 -0.062 30 10 GBEE CO[C@H]1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@@H]1C 1329305500 GXIGBYAYHYLYQD-GWCFXTLKSA-N 375.385 -0.913 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1557967772 YHXRHSMUMFBFSP-LEWSCRJBSA-N 390.421 -0.702 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]23COCCN2C(=O)OC3)cc1 1632440564 RXDKRGUNFJSOGJ-KRWDZBQOSA-N 393.421 -0.451 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCNC(=O)O2)C1 1639749010 FJJXFZGTINGDHI-LLVKDONJSA-N 378.410 -0.064 30 10 GBEE C#CCSCCn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690157673 MJHFZEJTKMNPFX-UHFFFAOYSA-N 375.462 -0.712 30 10 GBEE Cc1nnc(N(C)CCS(C)(=O)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1726361228 CSIYHZMLBAIXLH-BUHFOSPRSA-N 382.446 -0.406 30 10 GBEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1748732317 YLPMOFSOVAEWLA-CHWSQXEVSA-N 398.489 -0.747 30 10 GBEE CC1=CC(=O)CC(C)(C)[C@@]1(O)C=C[C@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2053487735 SWYRVCGNMNAFEK-GSWNZAOVSA-N 386.441 -0.576 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 2200909820 XHPJJXXUAFSVGM-BARDWOONSA-N 380.445 -0.474 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)NCCNC(N)=O)c2)OC1(C)C 2255750284 HRHRBEGPFUFKGB-UHFFFAOYSA-N 375.281 -0.006 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282044626 VGJTWVJCEWVQMQ-ZYHUDNBSSA-N 383.279 -0.118 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@H](O)[C@H]1C2 2282325447 FJGSWHXEXXVVDF-MXWKQRLJSA-N 384.267 -0.742 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2CNC[C@@H]2C1 2282328719 BTSPROVWZCUAOM-TXEJJXNPSA-N 382.295 -0.441 30 10 GBEE CN([C@H]1[C@@H]2CNC[C@@H]21)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503767 FRQRXMBRJDRTES-PJXYFTJBSA-N 382.295 -0.442 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H]3CC(=O)NC3=O)c2)OC1(C)C 2282825032 GNGTXYUBUWWLET-LBPRGKRZSA-N 380.231 -0.321 30 10 GBEE CCCNC(=O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282833127 FRHGIGXIMQLEOK-UHFFFAOYSA-N 386.283 -0.476 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(O)CCOC2)n1 2282834298 RTOZTKUSNPFJFT-HNNXBMFYSA-N 387.267 -0.851 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1[C@H]2CC[C@H]1CNC2 2282850369 OCVYONNKIYFYHQ-RYUDHWBXSA-N 382.295 -0.156 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC(O)(C(=O)O)C3)c2)OC1(C)C 2284393038 FSZSEBADQLVVLS-UHFFFAOYSA-N 384.219 -0.799 30 10 GBEE Cc1nc(S(=O)(=O)NOCCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284396624 DSGSCLBJWJDHET-UHFFFAOYSA-N 389.239 -0.288 30 10 GBEE C#CC(CO)(CO)N[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2377343680 MJDRDQYPESXBKL-MSOLQXFVSA-N 384.429 -0.444 30 10 GBEE CCCCC#Cc1nc(N)c2c(n1)N([C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1O)CN2 299803380 MPNHPTGERJKBPH-MOROJQBDSA-N 390.444 -0.627 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349515371 HCXJIFIZBPNUOX-ZIAGYGMSSA-N 395.503 -0.893 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N(C)[C@H](C)C1 349623837 TVHQKPCYIGBWQH-QWHCGFSZSA-N 394.519 -0.567 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 425883967 JXLWMHDWOTVWRT-MJBXVCDLSA-N 375.429 -0.261 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC1 512714389 RLAUTVZNPTZFBF-UHFFFAOYSA-N 386.412 -0.906 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cn3ccc(C)cc3n2)CC1 551640473 KYRDZXMQSJMMCO-UHFFFAOYSA-N 398.467 -0.295 30 10 GBEE C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CS1(=O)=O 598768999 BLZBDDUBVBRTCP-DGCLKSJQSA-N 385.467 -0.082 30 10 GBEE C#CCN(CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 731212524 CWVHVWJTKVMFBM-KGLIPLIRSA-N 376.500 -0.856 30 10 GBEE CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732669921 RIVGXGQXZPRSFZ-ZDUSSCGKSA-N 384.483 -0.044 30 10 GBEE Cc1c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cnc2c1c(=O)n(C)c(=O)n2C 747885361 YUQJLOGPAGLPOI-CYBMUJFWSA-N 382.424 -0.247 30 10 GBEE C#CCN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 779747425 FZUUHAYAWKDHGS-NILFDRSVSA-N 377.422 -0.394 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 850682211 OPIXADUBPXEMNP-MSOLQXFVSA-N 386.452 -0.017 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)NS(=O)(=O)c1cccc(-n2cnnn2)c1 850734442 RSNZSAHBGNVAGR-CQSZACIVSA-N 378.414 -0.062 30 10 GBEE COC[C@@]1(C(=O)OC)CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 855373935 PQZCVWHNAGSCSU-QGZVFWFLSA-N 395.437 -0.094 30 10 GBEE C#Cc1ccc(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 930074474 WEEKCDDFLUDFIQ-ZWKOTPCHSA-N 391.493 -0.228 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)CC1 1297520000 IUNIECNAXMKULH-UHFFFAOYSA-N 390.444 -0.873 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1326373990 JIIZZQIAIJNQLG-CABCVRRESA-N 393.465 -0.280 30 10 GBEE CN(CCN1CCCCC1)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1329874652 YKISLYPQBZSMDR-UHFFFAOYSA-N 388.428 -0.852 30 10 GBEE N#CCC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1329898901 AZFAVYMXLVRIHB-UHFFFAOYSA-N 379.438 -0.420 30 10 GBEE CN(C)CCC[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1330453122 LHODCNAZCBCTDD-SJORKVTESA-N 377.489 -0.246 30 10 GBEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1507830588 JRMJJRBWZXLDLA-ZIAGYGMSSA-N 396.473 -0.084 30 10 GBEE N#Cc1cn(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c(=O)nc1O 1565056577 JAIZCCKKYVOMNI-RUZDIDTESA-N 381.336 -0.569 30 10 GBEE N#Cc1cn(CCC(=O)N2CCN(C(=O)c3cccnc3)CC2)c(=O)nc1O 1631223077 BONJKIINJXNVDA-UHFFFAOYSA-N 382.380 -0.410 30 10 GBEE COC(=O)[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](O)C1 1633022801 PTVYDGMRHWWCIJ-OYHSWFHJSA-N 395.437 -0.312 30 10 GBEE Cc1c(C#N)c(=O)n(Cc2cccc(S(=O)(=O)N(C)C)c2)c(=O)n1CCO 1656828653 VBZIVJVFGNEQHV-UHFFFAOYSA-N 392.437 -0.519 30 10 GBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)NC 1757723763 MNZNFHHMXMGPPQ-QPSCCSFWSA-N 379.461 -0.366 30 10 GBEE CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCOC1 1769755773 DNFIKYHWDRLXJF-DYVFJYSZSA-N 378.433 -0.049 30 10 GBEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)CCn3cncn3)C2=O)CC1 1857082565 RKFILCNSVRQDRG-INIZCTEOSA-N 394.439 -0.115 30 10 GBEE 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GBEE COCC[C@@H](N)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334897 HYAIUZKRMYTQCN-LLVKDONJSA-N 388.299 -0.639 30 10 GBEE C[C@H](CCS(C)(=O)=O)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282684731 VMSPMRLTJTXAJM-SNVBAGLBSA-N 386.283 -0.333 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)[C@@H](O)C1 2368714455 UMRSHSSGZDFWJD-MOROJQBDSA-N 380.445 -0.472 30 10 GBEE C=CCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 4097557 XMJFVIGTHMOGNZ-AHMUMSBHSA-N 387.432 -0.991 30 10 GBEE in-vitro C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)C1=O 268680679 LAGHPNYHVQWINR-STQMWFEESA-N 391.380 -0.093 30 10 GBEE CC(C)(O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 364135004 YEZUJNVUIVTJQM-UHFFFAOYSA-N 397.439 -0.007 30 10 GBEE C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 420023313 AOSNHELKRVYTKN-ZFWWWQNUSA-N 386.456 -0.169 30 10 GBEE C=C[C@@](C)(O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 614578224 YEJRYPOGMBLWAM-IFXJQAMLSA-N 375.473 -0.114 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 659736364 OCBLZSWLXIHDAF-JKSUJKDBSA-N 380.489 -0.198 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(CC)noc2CC)CC1 685286676 REYXSIXSWFBTTH-UHFFFAOYSA-N 391.472 -0.138 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 749666421 KFXMWUAPTAVPJX-UHFFFAOYSA-N 397.439 -0.348 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC1 872446771 QLJBCLUMQCNAKJ-HSZRJFAPSA-N 378.520 -0.506 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 1117879368 KZKJABXBTYYBDV-INIZCTEOSA-N 378.473 -0.444 30 10 GBEE C#CCN(C(=O)c1cn(CC(=O)OC(C)(C)C)nn1)[C@@H]1CCS(=O)(=O)C1 1125954555 YODFWAZJBASJPU-GFCCVEGCSA-N 382.442 -0.118 30 10 GBEE N#Cc1cn(CCC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c(=O)nc1O 1150493327 GPZOTLLCFGRPLI-CHWSQXEVSA-N 380.426 -0.221 30 10 GBEE C#CCN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[C@@H]1CCS(=O)(=O)C1 1252614409 IJLQUJAMSWWNEJ-RISCZKNCSA-N 383.451 -0.635 30 10 GBEE C=CCn1c([C@@H](O)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1262939068 UAMWMLRPTQCFNU-HNNXBMFYSA-N 378.477 -0.112 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 1309802693 XGRIXQDCBMRHDW-UHFFFAOYSA-N 382.467 -0.359 30 10 GBEE CO[C@H](CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1322761787 ZKALVQJBTWKBRT-ZOAHYWAASA-N 392.334 -0.287 30 10 GBEE N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)n1 1323940843 BXBSFHBOXZBDLZ-GOSISDBHSA-N 379.380 -0.184 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN1CCN(C)CC1 1331974728 VNRNSURZVKMEJE-OAHLLOKOSA-N 377.532 -0.924 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccnc(-n2cncn2)c1)C1CCN(C)CC1 1335019851 VQMYUKCGADTJOE-UHFFFAOYSA-N 381.440 -0.166 30 10 GBEE COC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1342869615 WJEWEHHBUZHIID-CVEARBPZSA-N 398.419 -0.203 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCC2CCN(S(=O)(=O)CC)CC2)C1 1342884212 QNYNGHJIIOCHQL-OAHLLOKOSA-N 387.502 -0.032 30 10 GBEE C#CCN(C(=O)C(=O)N1CC[C@@](OC)(C(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1345476341 OHPMCRBCMGLJAQ-RISCZKNCSA-N 396.387 -0.185 30 10 GBEE COC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCCOC1 1471365212 HQMLUNFZEAPYSS-RISCZKNCSA-N 377.401 -0.172 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN1C(=O)CNC1=O 1489960863 LXDCXWOEOSCQBO-BARDWOONSA-N 392.456 -0.127 30 10 GBEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507632745 PLWSKSVMSCPKNU-KGLIPLIRSA-N 395.485 -0.503 30 10 GBEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1 1508151944 HPRWVEFRUQVGMA-NSHDSACASA-N 388.519 -0.256 30 10 GBEE C#CCN1CCC[C@H]1c1nnc(N2CCN3[C@@H](CNS3(=O)=O)C2)n1CC 1520782851 ZLVQZVUDIVBGDC-KBPBESRZSA-N 379.490 -0.593 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)CC 1539266910 VLZQDWRPBIROET-CQSZACIVSA-N 377.470 -0.269 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](F)COC)CC1 1539447901 YQSVMADXKZMSBB-LSDHHAIUSA-N 399.492 -0.080 30 10 GBEE Cc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742805713 CTPUSBYROMQVJA-ZPWFJYARSA-N 385.428 -0.171 30 10 GBEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771116175 WRQYXOUGBFWIBS-GXTWGEPZSA-N 397.505 -0.289 30 10 GBEE C=CCN1C[C@@H](C(=O)NCCN2CCN(S(=O)(=O)C3CC3)CC2)CC1=O 1850203679 KWKRZYLSJOBCAT-AWEZNQCLSA-N 384.502 -0.753 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)CC2)n1 1853077511 CUUVKIWLRMYCQS-UHFFFAOYSA-N 376.442 -0.579 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CCCOC3)C(=O)C2)C1 1856829883 JAEYDUMTOFICJZ-KGLIPLIRSA-N 384.458 -0.989 30 10 GBEE C=CCOc1cn(CCOCCO)c(CN2CCN(CCO)CC2)cc1=O 1870386817 FNVPYGXKTCLAEI-UHFFFAOYSA-N 381.473 -0.468 30 10 GBEE C#CCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C(=O)O 1890865537 VAPBBPBVEHBJRN-NEPJUHHUSA-N 388.442 -0.093 30 10 GBEE Cc1cc(C(=O)N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(B2OC(C)(C)C(C)(C)O2)s1 2281999041 VOVPQHQXGUJESV-AVGNSLFASA-N 383.275 -0.106 30 10 GBEE Cn1nc(C(=O)N2CCNC[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282040875 OTSVKQAROWDSCI-JTQLQIEISA-N 384.673 -0.221 30 10 GBEE C[C@H](O)CN(CCO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339638 VWWLHCVLLVEIQD-NSHDSACASA-N 389.283 -0.917 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3CC[C@]3(N)C2)n1 2282497117 LVIAENLUJPGOLE-BZNIZROVSA-N 382.295 -0.169 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2(C=CCO2)C1 2282838091 ZNXBRIVDCQGLOX-UHFFFAOYSA-N 382.251 -0.556 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCNC12CC2 2282850563 QNXDHKJFGHZGOC-LBPRGKRZSA-N 382.295 -0.108 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2COC[C@@H]2C1 2282855090 ZENJUDRMTMAQJF-RYUDHWBXSA-N 383.279 -0.014 30 10 GBEE N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 349451395 NDSVVPWWPLXXQJ-GANBNBROSA-N 389.480 -0.618 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1 349608983 HJVXEMQIXPSAQS-JSGCOSHPSA-N 392.503 -0.860 30 10 GBEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@H](CN)C2)n1 415601177 PPKKPADFSRDFHT-CYBMUJFWSA-N 388.815 0.522 30 10 GBEE 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30 10 GBEE CC[C@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@@H](CC)O1 1329873857 MYCQYWFEECZKJF-OKILXGFUSA-N 389.412 -0.380 30 10 GBEE COC(=O)[C@@]1(N2CCN(C(=O)C(=O)N3CCC(CC#N)CC3)CC2)CCOC1 1335013101 OPFCNAJSYJWVIW-LJQANCHMSA-N 392.456 -0.385 30 10 GBEE CNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)o1 1456613639 MSUIPFQBXMCTSJ-IINYFYTJSA-N 387.439 -0.494 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3nc[nH]n3)CC2)c1 1457902589 FAWBRWIVJLBWSP-UHFFFAOYSA-N 375.414 -0.697 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508073837 YZEZAOLGKZVKMZ-ZDUSSCGKSA-N 389.460 -0.517 30 10 GBEE N#C[C@@]12CN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C[C@H]1CS(=O)(=O)C2 1565418487 IDCMONRRMJNUEL-JXODSGKVSA-N 387.483 -0.326 30 10 GBEE C=CCCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1574547332 MOPBRIFJIARUGF-LPWJVIDDSA-N 379.417 -0.081 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)s1 1628996481 MSUSHURKUQNREO-NSHDSACASA-N 398.466 -0.483 30 10 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Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1nc[nH]n1 2282330385 YWUYOCDHKFPCNR-UHFFFAOYSA-N 382.255 -0.642 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1NC[C@H]2C[C@H]21 2282336668 APUXJQWABCULEE-WZRBSPASSA-N 382.295 -0.395 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@]2(O)C[C@H]2C1 2282340898 LFPLMAJJPCMDMU-ZBEGNZNMSA-N 383.279 -0.135 30 10 GBEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(S(N)(=O)=O)C1 2282603323 FAILMGINKYVCEU-UHFFFAOYSA-N 384.267 -0.685 30 10 GBEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2282612296 SEKDEBPMJSHJHN-JTQLQIEISA-N 386.283 -0.333 30 10 GBEE CC1(C)OB(c2ccccc2CS(=O)(=O)NCC2(O)CNC2)OC1(C)C 2282834477 VBRKIHOZBJRTPA-UHFFFAOYSA-N 382.291 -0.261 30 10 GBEE C[C@H]1C[C@H](CN)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282841683 WUGSLJQEAQXXCR-WDEREUQCSA-N 385.299 -0.528 30 10 GBEE COc1ccc(S(=O)(=O)NC(CN)CN)cc1B1OC(C)(C)C(C)(C)O1 2282880294 HCGYTPUAWKWMKW-UHFFFAOYSA-N 385.295 -0.441 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3C[C@H](O)[C@H](O)[C@H](CO)C3)s2)OC1(C)C 2289488277 FXWFULNPENDYRJ-COPLHBTASA-N 383.275 -0.167 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@@H](O)[C@H]2C3)n1 2359277059 JMAWXUYNKOYSKF-CYZMBNFOSA-N 383.279 -0.137 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 349610216 QIPUASVKYQQSGR-RMTRJLFJSA-N 383.517 -0.867 30 10 GBEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 561938918 GZSSDDDARPKBLA-CQSZACIVSA-N 388.476 -0.076 30 10 GBEE C#CCN(CC(=O)N[C@@H](C(=O)NC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 731212878 NUWFHGZMEZQDCR-DOTOQJQBSA-N 377.466 -0.288 30 10 GBEE CN(C)C(=O)NCCN(C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 846272127 SZWRKWYLNADXPC-OAHLLOKOSA-N 375.429 -0.220 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(N(C)C)cc2)CC1 872514842 ATCNPHAUHORSGU-UHFFFAOYSA-N 386.499 -0.474 30 10 GBEE C#CCN(CC(=O)N1[C@H]2CC[C@H]1CN(C)C2)CC(=O)N1[C@H]2CC[C@H]1CN(C)C2 913532146 CJDDYHDXSNAFBK-VJANTYMQSA-N 387.528 -0.468 30 10 GBEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 1286294391 WIQKJWAVHKNUAZ-GDBMZVCRSA-N 387.488 -0.149 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@@H]1O 1289743609 BTGSPWMUYFFBRL-WCVJEAGWSA-N 388.424 -0.910 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(CCC#N)CC1 1302596154 GDIFMJDXQDMDNS-CYBMUJFWSA-N 393.469 -0.490 30 10 GBEE CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCc2ccc(CC#N)cc2)C1 1326114397 XOWVVIYYWPQUCF-HNNXBMFYSA-N 378.454 -0.233 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1 1327166290 BWOKZXROQAPNKX-CQSZACIVSA-N 375.429 -0.268 30 10 GBEE CCOC(=O)[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CCO1 1332567725 IAKCPGXHPBZPIW-OAHLLOKOSA-N 375.381 -0.004 30 10 GBEE C=CCNC(=O)[C@H](C)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1484944562 VMUVGZWYKJGGQB-GGURZLOHSA-N 388.512 -0.071 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N(C)C)CC1 1507732078 BSMAXJKLHGLSRO-RDJZCZTQSA-N 390.488 -0.155 30 10 GBEE 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30 10 GBEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@@H]1NC(=O)NC1=O 1490794446 KYRAWSXBCXYPMR-KXNHARMFSA-N 379.442 -0.521 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 1524018599 DORLXABTCSLAGN-UHFFFAOYSA-N 379.442 -0.881 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595537383 QHLWRBBRTQEHKW-NEPJUHHUSA-N 396.473 -0.845 30 10 GBEE CNC(=O)NC[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1636363366 QEOZTDYAKMGRDW-NSHDSACASA-N 398.416 -0.107 30 10 GBEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1 1638531972 NGNOEUCRASCJOR-ZIAGYGMSSA-N 381.385 -0.148 30 10 GBEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705584222 BPPIQRYOORWJRU-IBGZPJMESA-N 399.476 -0.114 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNS(C)(=O)=O 1760095718 XCKSUZIIODATPF-CYBMUJFWSA-N 382.490 -0.089 30 10 GBEE CN1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(=O)N1 2267371426 AFJXQMDBGHWURA-JTQLQIEISA-N 387.292 -0.329 30 10 GBEE 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10 GBEE C=CCNC(=O)NC(=O)CN1C[C@@H]2C(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@H]2C1 1330319312 OPJAEQSNLDJUTM-KZKVSBAMSA-N 388.468 -0.284 30 10 GBEE C#CC1CCN(C(=O)C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 1333769504 BOCKXNSJZDSFKL-UHFFFAOYSA-N 398.463 -0.251 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1336617275 DTJFUSMMQLZXEX-HNNXBMFYSA-N 393.465 -0.326 30 10 GBEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1336691727 LLWDPFDGSQIYSL-QAQDUYKDSA-N 390.484 -0.702 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1338862630 GPTNOVOSHALNIB-AWEZNQCLSA-N 399.521 -0.604 30 10 GBEE C#Cc1ccc(NC(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c(Cl)c1 1340320830 XDNYWASOVPYTHB-LLVKDONJSA-N 382.829 -0.379 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CCN1C1CCOCC1)C1CCN(C)CC1 1354984539 JEZSTNNQIJSUCZ-SFHVURJKSA-N 376.501 -0.088 30 10 GBEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1360473996 DXACRSDFTDEETO-STQMWFEESA-N 375.433 -0.174 30 10 GBEE 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383.348 -0.829 30 10 GBEE CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1151775883 BNUPXWMUGIDRGA-NSHDSACASA-N 389.430 -0.113 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nnc3c(=O)[nH]ccn23)n1 1255538372 PIYXERPZTNLTFH-UHFFFAOYSA-N 384.400 -0.395 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H](C#N)CO)CS(=O)(=O)[C@H]2C1 1297880308 KZYLWRXHEZLQGY-LPWJVIDDSA-N 387.458 -0.343 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 1322960895 BDFRACPOOFTRPU-PLSXKVAHSA-N 390.318 -0.845 30 10 GBEE C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1339620855 HGNCGHWKXQFTEI-FQUUOJAGSA-N 395.485 -0.342 30 10 GBEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1346256474 SCGHRGSNKOKAHV-BZUAXINKSA-N 389.408 -0.568 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CN(C(=O)OC)C2)n1 1347267378 BKCXMAUHBABEQT-UHFFFAOYSA-N 377.401 -0.942 30 10 GBEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1507512262 DKVOYSJVUKWTIF-WBMJQRKESA-N 383.474 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C#CCNS(=O)(=O)N1CCN(c2nnnn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c2cccc(C#N)c2)C1 1332802469 IADYTNKTDVWOGQ-HOTGVXAUSA-N 387.440 -0.030 30 10 GBEE C=CCn1cc(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1334687288 OPVZNECJKNTBCY-NFAWXSAZSA-N 375.429 -0.275 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCO1 1348131366 VWKOERMESUMXEM-AWEZNQCLSA-N 387.396 -0.998 30 10 GBEE C#CCN(C(=O)NCCCN1C(=O)NC(C)(C)C1=O)[C@H]1CCS(=O)(=O)C1 1349204061 WVAIOXUCEYXKRS-LBPRGKRZSA-N 384.458 -0.461 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1539416692 RXZLHJSEVQJJTF-ZDUSSCGKSA-N 383.474 -0.646 30 10 GBEE CCOC(=O)[C@]1(C)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1587700374 OXWIPIIFHQFKEV-KRWDZBQOSA-N 395.437 -0.094 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)c2coc(CS(C)(=O)=O)n2)CC1 1627015521 UDHORSXVDKZXPR-UHFFFAOYSA-N 382.442 -0.884 30 10 GBEE CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1628510624 HEMSMRLDZVPMNO-GFCCVEGCSA-N 388.467 -0.741 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)C(=O)N2CCCC2)CC1 1675098825 DBIAQMKPTWNPCU-UHFFFAOYSA-N 399.517 -0.570 30 10 GBEE C=CCn1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1705043201 NUWVWDIHBIJIMK-RUMPHYEESA-N 375.429 -0.082 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1705552100 VOIYLFUNQRUSRK-BBRMVZONSA-N 385.490 -0.159 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCc1ccco1 1722342596 SBWBPDVWENMSRB-LBPRGKRZSA-N 394.457 -0.133 30 10 GBEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)C1 1856233656 HPADILZCPHGVCB-HUUCEWRRSA-N 383.470 -0.362 30 10 GBEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C(=O)C2)C1 1856840019 QVZJOIGPSDGVIQ-HOTGVXAUSA-N 398.529 -0.268 30 10 GBEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1=O 1857153617 PUTPEPOUUZBIQT-LSDHHAIUSA-N 386.412 -0.988 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)CC1 2200893389 AGWFUMWUWNWLHB-HIFRSBDPSA-N 384.477 -0.293 30 10 GBEE C=C(CS(=O)(=O)N(C)CCS(=O)(=O)NC)B1OC(C)(C)C(C)(C)O1 2255794021 GKPOPVRYNASQHC-UHFFFAOYSA-N 382.313 -0.015 30 10 GBEE Cc1nn(C)c(C(=O)NC[C@@H](C)S(N)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2281985862 MIJWICYBDFYUHO-SECBINFHSA-N 386.283 -0.565 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@]2(C)C[C@H]1CO2 2282327021 BOSBMOKBBFILRR-ZUZCIYMTSA-N 384.267 -0.334 30 10 GBEE 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10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)n1 788486345 QYRYHUIVBSUHPM-OAHLLOKOSA-N 384.440 -0.112 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccc(OCC)nn2)CC1 875601013 GLCUXYYWTMKIHZ-AWEZNQCLSA-N 375.429 -0.322 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)C1CCN(C)CC1 910886902 XJERHCSWOGNEGQ-UHFFFAOYSA-N 388.447 -0.180 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1116722157 DPVUNXCRFITRQK-CQSZACIVSA-N 377.422 -0.366 30 10 GBEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN2CCO[C@H]1C2 1129281743 NDMOTUBHKHOLPZ-KGLIPLIRSA-N 378.454 -0.343 30 10 GBEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(S(N)(=O)=O)C2)ccc1F 1142053616 RYDNLXMDNIFFMQ-UHFFFAOYSA-N 377.419 -0.597 30 10 GBEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C#N)c(SC)nc1O 1251782136 PUHUSSLUHLBGKG-NSHDSACASA-N 377.426 -0.152 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(C3CCOCC3)n2)CC1 1261914411 DHGDVDYLGTYLSW-UHFFFAOYSA-N 395.485 -0.232 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cccc(S(C)(=O)=O)c2)c1=O 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CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2281985703 NILPYXIZJLXDFC-SNVBAGLBSA-N 384.267 -0.527 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1[C@H]2NCCC[C@H]21 2282303960 DCVLZTOLGRABIN-OUAUKWLOSA-N 383.283 -0.857 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@]2(O)C[C@H]2C1 2282424377 BFOJBTGAEIMIFA-BONVTDFDSA-N 384.267 -0.740 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]1(C)CCC[C@@H]1O 2282834211 QLNAKSRLEIXQNB-ZUZCIYMTSA-N 386.283 -0.304 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@@H](O)[C@H](CO)C3)cs2)OC1(C)C 2289410378 ZAHITGDEYJIREE-OBJOEFQTSA-N 383.275 -0.167 30 10 GBEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)CC1 349486503 VWUYTQXBKJYAKA-AVGNSLFASA-N 377.488 -0.473 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 532027748 MXDCMMZCWMHYIX-MSOLQXFVSA-N 393.532 -0.006 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2csc(C)n2)CC1 583099471 KVIDMGNQPOOAFH-UHFFFAOYSA-N 379.486 -0.443 30 10 GBEE 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)NC 1282729176 GMUNMXIJFHENKQ-AQRJEWBLSA-N 385.486 -0.235 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCS(=O)(=O)CC1CC1 1326712673 PEOIOOAIJQMTMX-INIZCTEOSA-N 393.465 -0.009 30 10 GBEE COc1cccc(CN(C)C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1328923870 MUOYNJDHKFDJKN-UHFFFAOYSA-N 397.391 -0.129 30 10 GBEE N#Cc1ccc(CNC(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(F)c1 1332212030 XXYACVBBQHIJAU-KRWDZBQOSA-N 395.412 -0.270 30 10 GBEE CO[C@@H]1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1(C)C 1348210936 YSRDPFIDLMIKPF-CYBMUJFWSA-N 389.412 -0.523 30 10 GBEE C#CCN1CCC[C@H]1c1nnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1CCOC 1358492512 AZWZLOZDZOXPPP-JYJNAYRXSA-N 388.472 -0.212 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 1471450500 BORBMWOOIGTIQK-HNNXBMFYSA-N 394.453 -0.525 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CNS(=O)(=O)NC)C1 1515108370 MGRCOJKPEHYMOT-DGAVXFQQSA-N 388.490 -0.968 30 10 GBEE C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 1574280223 PLXPQWCZHKOHDB-XBFCOCLRSA-N 376.413 -0.060 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(C)(C)CS(N)(=O)=O)c1 1643708079 IJBXPYLCOKMYCZ-UHFFFAOYSA-N 387.483 -0.357 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 1690025071 CVLBVBOKYIGEQJ-UHFFFAOYSA-N 398.467 -0.245 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740952949 RKQBZDHWFMRYGL-AWEZNQCLSA-N 384.506 -0.003 30 10 GBEE C#CCN(c1nnc(C2CC2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 1748814368 DUGBLFHDFHWAFR-YJBOKZPZSA-N 393.513 -0.151 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749605935 DRWPMZBUXVEBEL-GHMZBOCLSA-N 377.492 -0.302 30 10 GBEE C=CCOCC(=O)N1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1757698779 RUZJUWXNHCKKML-MPCCQONLSA-N 389.452 -0.460 30 10 GBEE CS(=O)(=O)N1CC(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)C1 1852089456 LJUBAVDVKJASAQ-UHFFFAOYSA-N 393.469 -0.490 30 10 GBEE 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C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 548948633 QBQCTDOHISBWSX-GFCCVEGCSA-N 384.462 -0.925 30 10 GBEE Cn1cc(N2CCN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CC2=O)cn1 573800895 DHQOJHRTXSFXTR-UHFFFAOYSA-N 380.408 -0.022 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 582208878 QMOUNGNLWUZDSX-MGPQQGTHSA-N 393.444 -0.489 30 10 GBEE COCCNC(=O)C1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1 593605439 HBSZZZOFRQFEKR-UHFFFAOYSA-N 381.410 -0.082 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1S(=O)(=O)c1cccc(C#N)c1 598620926 HVYWLWGSUATTQO-AAEUAGOBSA-N 392.393 -0.585 30 10 GBEE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1F 599508092 ULJHMLFZGVDYLG-LLVKDONJSA-N 377.419 -0.364 30 10 GBEE C[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)C[C@H](C)N1CC#N 922480497 GNBNHMGOMSSBNS-SOUVJXGZSA-N 386.522 -0.115 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2CSCCSC2)CC1 1175514976 MCMHQMYWXLERKD-CYBMUJFWSA-N 392.572 -0.316 30 10 GBEE 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C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@H]1CCCN1 2286864811 ZOULFSLUEHAGSM-GHMZBOCLSA-N 385.299 -0.467 30 10 GBEE C#CC1CC(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)(C(=O)O)C1 2335454298 CQGCUDGROHACRN-CSJGVYOVSA-N 388.442 -0.093 30 10 GBEE CC(C)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)NCCN(C)C 409493984 MYKXUHSAQZCCTR-KBPBESRZSA-N 375.495 -0.862 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](O)(C(F)F)C2)c1 566487683 ATRWKJKNRQEMDR-CYBMUJFWSA-N 395.409 -0.121 30 10 GBEE Cc1ccc(S(=O)(=O)NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)cc1 586349485 MQNMKLDNXDLZSE-XMMPIXPASA-N 385.467 -0.079 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)c1 735431553 DPJHKORTACYRSO-CYBMUJFWSA-N 378.414 -0.122 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 783011154 KRLLNPOGCLNWKM-ZDUSSCGKSA-N 383.474 -0.189 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(C(=O)NC)c2)CC1 831564573 BCTIZGGNNJTPPO-UHFFFAOYSA-N 392.481 -0.409 30 10 GBEE CN(CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1 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C#CCN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1261195302 WAXSWFHSJXKVCU-CABCVRRESA-N 383.514 -0.128 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1325781021 HMESLZWYOYRWNO-MRXNPFEDSA-N 390.461 -0.071 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCO[C@H]1CC1(F)F 1329706054 YFHMEEFORFVABB-AAEUAGOBSA-N 394.382 -0.074 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 1330152959 ZVOPYDWDUPQDLR-HNNXBMFYSA-N 376.457 -0.556 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc(N(C)C)n1)[C@H]1CCS(=O)(=O)C1 1342912531 FNGPKAFEGRTCPU-AWEZNQCLSA-N 378.454 -0.587 30 10 GBEE C#CCN(C(=O)C(=O)NC1CCN(CC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1344918515 QHINQPUAYSXANS-MRXNPFEDSA-N 383.514 -0.128 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)C1 1346280012 CVWNOKZLHCAJFV-ZFWWWQNUSA-N 393.440 -0.286 30 10 GBEE C#CCN1CCC(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 1348846454 HHMIRQZKFSPERG-UHFFFAOYSA-N 388.472 -0.632 30 10 GBEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COCCO1 1358984607 BTMXUVAELODCQH-CABCVRRESA-N 395.485 -0.233 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NC(C)C)CC1 1359038399 VBLMTCIJSNFCGQ-UHFFFAOYSA-N 387.488 -0.320 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)CC1 1464366703 ZYVMCLDFMRTRHA-UHFFFAOYSA-N 399.454 -0.695 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN(C(C)=O)C2)CC1 1470037305 KILSKSAPGXABMA-OAHLLOKOSA-N 385.490 -0.960 30 10 GBEE Cn1c(=O)[nH]c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(C#N)c1=O 1472651099 FWYMPOIJCZTYAB-UHFFFAOYSA-N 383.364 -0.364 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)cc1 1522290705 WDIYTUGKABJDEQ-SFHVURJKSA-N 395.481 -0.330 30 10 GBEE C#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1570227804 RKMDHGYKURQKFG-LBPRGKRZSA-N 386.451 -0.771 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)CC1 1623499231 UTRSGWZIUNTAOI-JOCHJYFZSA-N 398.507 -0.093 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC)c(=O)nc2O)c1 1650861505 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384.480 -0.048 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)C 1507540310 YZTQYXIQPWAWNB-STQMWFEESA-N 398.489 -0.843 30 10 GBEE CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)co1 1539118468 NIXWZCIBMFIDBX-SMDDNHRTSA-N 387.439 -0.460 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 1572825380 QDWSSHHTQPILRK-LHHMISFZSA-N 393.484 -0.038 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1O 1572857507 VIBWYKIKENSCEE-TUVASFSCSA-N 391.424 -0.322 30 10 GBEE CS(=O)(=O)CC1(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)COC1 1640222355 XONNTEFKCCARKP-UHFFFAOYSA-N 386.451 -0.597 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 1662964885 LCYRDBIACSMSFP-CYBMUJFWSA-N 394.515 -0.125 30 10 GBEE N#CCNC(=O)CN(CCO)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1692237526 KKYXEFOPVKOQIQ-NBOOPKSLSA-N 378.473 -0.273 30 10 GBEE C[S@](=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1750219126 FZNSOKVYGLTKIO-DPCRMLNESA-N 378.458 -0.131 30 10 GBEE C=CCOc1cn(CCCN2CCOCC2)c(CN(CCO)CCO)cc1=O 1870385460 YQJQTRRQJKVFNZ-UHFFFAOYSA-N 395.500 -0.078 30 10 GBEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC(O)([C@@H](F)C(=O)O)C1)C(F)(F)F 2123998985 BTWICQKWJPXSEB-NVNXEXLPSA-N 384.204 -0.018 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NCCNC(N)=O)OC1(C)C 2255953572 KQJQZUGHQACMPT-UHFFFAOYSA-N 375.281 -0.006 30 10 GBEE C=C(CS(=O)(=O)N1CCOC[C@H]1[C@@H](O)CO)B1OC(C)(C)C(C)(C)O1 2267721940 UNRBFNAGWBJJAS-STQMWFEESA-N 377.268 -0.442 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC[C@@H](C(N)=O)C3)c2)OC1(C)C 2282289126 CTBYVJBIVNQEHS-LLVKDONJSA-N 381.263 -0.123 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1(N)CCC1 2282318728 JUCFUCAYPCWNLI-UHFFFAOYSA-N 385.299 -0.336 30 10 GBEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@@H]1CCNC1 2282331130 JWEVZKYYQLMUOI-VXGBXAGGSA-N 384.311 -0.004 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@]12CCNC[C@H]1C2 2282337894 KFRYTIWHUSKVKS-BZNIZROVSA-N 382.295 -0.250 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CNCC[C@H]3O)cc2)OC1(C)C 2282423739 SLYSPGUYYSUVIW-LSDHHAIUSA-N 382.291 -0.013 30 10 GBEE COCC[C@H](N)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282831946 HACFGZKDTMAZED-NSHDSACASA-N 388.299 -0.639 30 10 GBEE COC1(OC)CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282838542 PWCFYOSYEXYPBI-UHFFFAOYSA-N 387.267 -0.287 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC2(C1)C[C@H]2N 2282839692 HSHYZYGCTUAKDU-KGXJWFGYSA-N 383.283 -0.728 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCN1CCCO1 2282853821 JSBRVFWFODHWGQ-UHFFFAOYSA-N 386.283 -0.365 30 10 GBEE CC[C@@H](C)[C@H](CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282864304 DHVDDUVNVAEQCE-MNOVXSKESA-N 388.299 -0.200 30 10 GBEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1-n1cnnn1 369802084 RCWBTYPOFFAHER-CQSZACIVSA-N 396.411 -0.192 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[C@H](C)O)CC1 410638067 PJIWAFGWNNAPDS-JKSUJKDBSA-N 380.489 -0.415 30 10 GBEE 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N#C[C@]12CN(C(=O)NCC3CCS(=O)(=O)CC3)C[C@H]1CS(=O)(=O)C2 1231333180 AVPVCOAIKHDADT-GXTWGEPZSA-N 375.472 -0.609 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1286407848 SWOQNHVTKGUVFV-HNNXBMFYSA-N 384.440 -0.449 30 10 GBEE C#CCN(C(=O)NCc1cccc(OCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1320594112 QUZSWUKUWSUUAL-CQSZACIVSA-N 379.438 -0.117 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)n1 1320973129 FTTXNXPXUWYPGS-OAHLLOKOSA-N 397.501 -0.044 30 10 GBEE C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)nn1 1328948348 LUOSZMJHIKGABZ-OAHLLOKOSA-N 389.437 -0.134 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)C1=O 1333415455 FAPZODVYUDKMSJ-GJZGRUSLSA-N 378.473 -0.005 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1342088656 WLXVPEMYXAXGKA-JKSUJKDBSA-N 397.497 -0.995 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)C1 1351433340 NPHRFORZAJAHEG-OXJNMPFZSA-N 391.468 -0.275 30 10 GBEE 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CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNS(=O)(=O)CC#N)C1 2006287443 CLSBTPWYBIODDK-NSHDSACASA-N 381.476 -0.146 30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](O)CN)OC1(C)C 2255794896 PYXCKBCYZCJMIU-LLVKDONJSA-N 376.309 -0.214 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](O)C(=O)O)s2)OC1(C)C 2256894261 BPWHVJNUNKOTRU-MRVPVSSYSA-N 377.249 -0.229 30 10 GBEE C=CCN(CC=C)S(=O)(=O)NCC(CO)(CO)NC(=O)OC(C)(C)C 2264204725 LVNDXYIKALRGRZ-UHFFFAOYSA-N 379.479 -0.257 30 10 GBEE CC1(C)OB(c2csc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)c2)OC1(C)C 2267525394 CXXFMUVAEJLWMP-WDEREUQCSA-N 387.288 -0.065 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2(O)CNC2)OC1(C)C 2267707958 AQRLBNYLBMJPMQ-UHFFFAOYSA-N 389.308 -0.804 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCCn3ccnn3)c2)OC1(C)C 2282331858 SPZLXYBAZDGHCR-UHFFFAOYSA-N 379.251 -0.049 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cnn(C)n2)n1 2282496070 VPHPSNXGGFITQY-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C(N)=O)C(N)=O)c1C 2282574040 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-0.522 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 594629148 KRRDDQHTLGXMPL-WEVHURDZSA-N 389.480 -0.618 30 10 GBEE COc1cc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c(F)cc1C#N 600085020 JHRNGHRVUXQHIS-UHFFFAOYSA-N 399.404 -0.749 30 10 GBEE C#CCN(C(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC)[C@@H]1CCS(=O)(=O)C1 729330823 FWRYGARUUWNSOC-CYBMUJFWSA-N 389.433 -0.028 30 10 GBEE C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccoc2)c1=O 758078650 QTGSPOREPAOPEA-UHFFFAOYSA-N 396.472 -0.197 30 10 GBEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cn1 763424818 CYRPCVXNCWMNJP-ZDUSSCGKSA-N 381.352 -0.260 30 10 GBEE C#CCN(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)[C@@H]1CCS(=O)(=O)C1 774255646 WSCVLZJZSXGJMN-OLZOCXBDSA-N 391.515 -0.040 30 10 GBEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(CO)C1 854672723 NAZHPYYTSKFUGW-CYBMUJFWSA-N 381.454 -0.151 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C2CCOCC2)C2CC2)CC1 895550623 QCXUHEGHVZXRKY-MRXNPFEDSA-N 384.502 -0.014 30 10 GBEE C#CCN(C(=O)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1)C1CCN(C)CC1 1120500050 JBOAZQPLGBITJJ-SJLPKXTDSA-N 395.500 -0.585 30 10 GBEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1286461915 ZRLYBKCZMGGAFL-UHFFFAOYSA-N 398.489 -0.851 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(=O)NC 1286776231 LABOIMGUDOMJOH-LBPRGKRZSA-N 386.478 -0.631 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 1309801364 ICSPYRHSHQHUPL-UHFFFAOYSA-N 386.430 -0.529 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(-n2cncn2)cc1)[C@H]1CCS(=O)(=O)C1 1320574902 WJLZLRXEVVLVRU-HNNXBMFYSA-N 387.421 -0.145 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C)[C@@H]1CCS(=O)(=O)C1 1327681259 BGSCSMQXVBFXLW-YIYPIFLZSA-N 398.481 -0.113 30 10 GBEE C#C[C@H]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 1330576179 CEUXPVUSWHKUHS-WKILWMFISA-N 376.457 -0.508 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1356783030 PNKBVGWAGXOEBV-QMCVQRASSA-N 379.457 -0.164 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)COC2)CC1 1359036245 QZKFDSSEJIQVDB-OAHLLOKOSA-N 393.513 -0.028 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)CC1 1455116068 VYDSDIXCGPDVLK-UHFFFAOYSA-N 392.441 -0.391 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1 1508058822 GMZSRZCXRJDKKP-ZDUSSCGKSA-N 398.489 -0.501 30 10 GBEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nncn1C 1541927026 CSZGVVQXKLKVGE-IINYFYTJSA-N 397.440 -0.493 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCNC3=O)cc1 1589423882 NNAVMXZTJPVKLV-UHFFFAOYSA-N 390.425 -0.584 30 10 GBEE CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1636512774 QZRXELZMISLVDT-XJKSGUPXSA-N 397.478 -0.005 30 10 GBEE C=CCC1(O)CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 1645230211 XWJFFXYUFUYDKS-UHFFFAOYSA-N 379.438 -0.430 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N(C)CC)CC1 1760251433 AICXQHUFICCNLY-UHFFFAOYSA-N 375.477 -0.350 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](O)C(=O)O)OC1(C)C 2256905110 CMKPHMMTVOMREU-VIFPVBQESA-N 377.249 -0.229 30 10 GBEE C=C(CS(=O)(=O)N[C@@H]1COC[C@@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2267469617 YLFZGONIMTWUMS-NEPJUHHUSA-N 395.308 -0.095 30 10 GBEE CCc1nc(C(=O)NCC(O)(CO)CO)c(B2OC(C)(C)C(C)(C)O2)s1 2282022835 JLDXCYILNOIFJB-UHFFFAOYSA-N 386.279 -0.550 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)OC1(C)C 2282209967 ZSBGMRDECSKDSS-OJAKKHQRSA-N 383.275 -0.120 30 10 GBEE CC(C)NC(=O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282865004 NXAGKIBINHHIKY-UHFFFAOYSA-N 386.283 -0.478 30 10 GBEE N[C@@H](CS)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 35636588 FBRCSVAGDWAZCU-SRRSOLGSSA-N 389.547 -0.798 30 10 GBEE in-vitro CN1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 408265537 RWZCYVPKFICNEI-HNNXBMFYSA-N 378.454 -0.278 30 10 GBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2C)CC1 532853594 KKNPXGCBOBSGAG-UHFFFAOYSA-N 385.442 -0.017 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 573700190 XYZDZOLEBCCPBN-LLVKDONJSA-N 398.466 -0.470 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 598451869 DQQJBXGATHOIQE-INIZCTEOSA-N 392.481 -0.106 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1 827108686 PZYYYKKIFDXOHV-UHFFFAOYSA-N 396.469 -0.654 30 10 GBEE C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 846261055 FZHXDRIRRXROLQ-SWLSCSKDSA-N 381.454 -0.058 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1)C1CCN(C)CC1 910881989 AEJAUCDHBWCQKB-UHFFFAOYSA-N 392.500 -0.362 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn([C@@H](C)COC)n2)CC1 1216858307 RIXOGMDIVVSLGO-ZDUSSCGKSA-N 384.462 -0.292 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(C(=O)OC)CC2)CC1 1221843800 VQCKHZOZPLLYJC-UHFFFAOYSA-N 386.474 -0.487 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc2nn[nH]c2n1 1282645421 VEZFRYHKNPICCY-SWHYSGLUSA-N 381.396 -0.646 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(OC)CCOC2)CC1 1300698443 SQDVHOXBZAADOF-DNVCBOLYSA-N 388.472 -0.210 30 10 GBEE Cn1ncc(Br)c1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1301213918 VNYUOJXKFGOMCF-UHFFFAOYSA-N 381.190 -0.325 30 10 GBEE CC(C)(C)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H]1O 1322692407 DRQOMOKMUGAHEK-KNXNWKDLSA-N 392.456 -0.116 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@@H](O)C(F)(F)C2)CC1 1328131781 CTPWHJLCZGIVHQ-CYBMUJFWSA-N 379.367 -0.170 30 10 GBEE C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC1 1332942897 SPXJIUHQRAWWSM-WKILWMFISA-N 376.457 -0.508 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)CC1 1336509799 LIWMSXIYHONUKJ-BRWVUGGUSA-N 394.468 -0.215 30 10 GBEE C#C[C@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1468484243 URVZMHMCOUMFGQ-SECBINFHSA-N 383.149 -0.009 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1cc[nH]n1 1472259254 NRFQDNFKNOBDOT-GJZGRUSLSA-N 393.444 -0.249 30 10 GBEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1642637001 PXALBFQTCYUZRU-CYBMUJFWSA-N 383.412 -0.128 30 10 GBEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(NC2COC2)C1 1648027646 HMLKUYAODHEDHQ-UHFFFAOYSA-N 378.454 -0.296 30 10 GBEE C#CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1663018457 BDXGZNIHJZUDJJ-QFYYESIMSA-N 381.410 -0.588 30 10 GBEE CCCCCCCCC(=O)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN 1866357256 UFQXBLDIHKHFBA-UHFFFAOYSA-N 386.449 -0.632 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CCC#N)[C@H](S(C)(=O)=O)C1 2017559066 WJWSIAQORGVGGV-WDEREUQCSA-N 381.476 -0.148 30 10 GBEE C#CCN(C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2123460723 ILQNUSCJUCMIPW-CYBMUJFWSA-N 386.470 -0.135 30 10 GBEE C#CC[C@@H](O)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2249440412 VEPUHFKTPAFMPG-CABCVRRESA-N 398.437 -0.242 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CCC(O)(C(N)=O)CC2)OC1(C)C 2282025179 LKBRBOOYKUQJIB-UHFFFAOYSA-N 381.263 -0.105 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CC[C@](O)(CO)[C@H](O)C2)OC1(C)C 2282028264 BMOCQTUQJDUXAB-BZNIZROVSA-N 384.263 -0.628 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H](F)C[C@H]2CN)n1 2282488150 AYIZSBONYMIPFH-MNOVXSKESA-N 388.274 -0.221 30 10 GBEE CC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CS(=O)(=O)C1 2282624931 OTVHCUNKMFQJPJ-UHFFFAOYSA-N 381.263 -0.060 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@H]1C[C@H]2O 2282855745 IUEXNKRFQQYQER-GRYCIOLGSA-N 383.279 -0.137 30 10 GBEE C[C@H]1CCN[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282865470 URWHTHPVRFNVLZ-QWRGUYRKSA-N 385.299 -0.609 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C(=O)NC[C@H]3C(=O)O)cs2)OC1(C)C 2284434174 WCFIJCSIPGSVNL-KOLCDFICSA-N 380.231 -0.024 30 10 GBEE COC(=O)[C@@H](CS(=O)(=O)NCCC#CCO)NC(=O)OCc1ccccc1 2303664331 WYWVKMQTIPPXLX-OAHLLOKOSA-N 398.437 -0.240 30 10 GBEE CO/N=C(/C(=O)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12)c1csc(N)n1 38558541 MCSWUKXFFGUOQE-RWFJUVPESA-N 395.422 -0.713 30 10 GBEE C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 286249427 ZJWBEDWVJBWWIR-AWEZNQCLSA-N 384.440 -0.271 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1=O 298804905 WQMMUCKHCVGFSS-GJZGRUSLSA-N 390.440 -0.286 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCO)[C@@H](C)C1 428149884 HPLFKHFMIRDZRE-KBPBESRZSA-N 380.470 -0.250 30 10 GBEE C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460612107 HFTFBRCWRVSSBT-CYBMUJFWSA-N 383.412 -0.086 30 10 GBEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 506723311 FKWUEUNIMLCBLN-GFCCVEGCSA-N 382.446 -0.382 30 10 GBEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(CC#N)cc1 564954911 NMNYMQAOTHRBEU-OAHLLOKOSA-N 378.454 -0.091 30 10 GBEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 565184379 YLRSDKMZLPISJB-UHFFFAOYSA-N 384.396 -0.861 30 10 GBEE CCN1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1=O 576113460 LCZHKGMGKJLFHW-LLVKDONJSA-N 378.410 -0.041 30 10 GBEE C[C@H](CC(=O)NCCc1nnnn1C)/N=C1/NS(=O)(=O)c2ccccc21 772184328 QZKGDJWRTPHHRA-SNVBAGLBSA-N 377.430 -0.614 30 10 GBEE N#Cc1cn(C2CN(C(=O)NCC[S@@](=O)CC(F)(F)F)C2)c(=O)nc1O 858599842 QTCTWKWTBVADFG-AREMUKBSSA-N 393.347 -0.302 30 10 GBEE N#Cc1cccc(CNC(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)c1 861744613 XZIZOCJHRBDHMH-SJORKVTESA-N 397.435 -0.042 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 875043957 FIUNNHAQOAXSAX-OAHLLOKOSA-N 375.425 -0.076 30 10 GBEE CN(C)S(=O)(=O)c1cccc2c1CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)C2 1186422109 GHXRYSTZKDKINV-UHFFFAOYSA-N 389.437 -0.242 30 10 GBEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)CC2)nc1 1258048064 TXRMEBYLUOHXJB-HXUWFJFHSA-N 396.451 -0.223 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC#CCO 1297017333 XFURJVMFPBPJPA-BFHYXJOUSA-N 386.470 -0.232 30 10 GBEE CC(=O)N1CCC[C@H](CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1323387183 CRLWSPSGDAJPNP-MRXNPFEDSA-N 398.467 -0.023 30 10 GBEE CC(C)C[C@@H]1COCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1346276075 HHQHWQRNPSWXSA-UWZWCOGJSA-N 378.429 -0.098 30 10 GBEE C[C@@H](NS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(C#N)[nH]1 1347485308 VURQDNSNBNMNJO-IMJCEVDSSA-N 379.442 -0.314 30 10 GBEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCNC(=O)C2)c1 1464259503 INYVAQQIIIWMEU-HMMYKYKNSA-N 393.469 -0.130 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c(C)nn(C)c1F 1490847372 OZLXEIYVBAWPGY-UPJWGTAASA-N 375.404 -0.131 30 10 GBEE C#CCCCCn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1507558769 YUHBBKFBFQXHQE-UHFFFAOYSA-N 386.460 -0.143 30 10 GBEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539998222 CSKIJUXMDYPXPL-STQMWFEESA-N 387.444 -0.658 30 10 GBEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(=O)(=O)CC 1710745415 ZRSZBIQUELORAI-CYBMUJFWSA-N 386.478 -0.127 30 10 GBEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740598049 CCHWQDLIDMNSRA-CYBMUJFWSA-N 382.490 -0.233 30 10 GBEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1740964749 HRVWFKZUIDANLH-GOSISDBHSA-N 392.460 -0.489 30 10 GBEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2281827818 AWVYMRGNEKZVQR-JTQLQIEISA-N 383.279 -0.118 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1N 2282309580 HREVUGJQJVLXAK-GHMZBOCLSA-N 385.299 -0.338 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)c1nc[nH]n1 2282337328 GUBDALWSHIBCBQ-VIFPVBQESA-N 382.255 -0.123 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@]2(CO)CCNC2)OC1(C)C 2282349438 YTZRFYXREURJPQ-KRWDZBQOSA-N 382.291 -0.012 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)OC1(C)C 2282614043 GHBNKCZANKRKDA-YJQGPUDQSA-N 384.263 -0.725 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H](C)CO1 2282847425 YSBHFXATQMSPLJ-MNOVXSKESA-N 386.283 -0.088 30 10 GBEE COC[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)O 2284412268 TXXKGLKCLKBDME-SNVBAGLBSA-N 389.239 -0.903 30 10 GBEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O 273323336 GYPYLQZCGVIEIT-UONOGXRCSA-N 397.478 -0.014 30 10 GBEE CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cc(C)nc2C1 349501619 QOKPCEDETQGDBM-UHFFFAOYSA-N 389.503 -0.098 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@]2(CO)CC(C)C)CC1 410976812 JFLJCANSWAQPRC-FQEVSTJZSA-N 394.516 -0.168 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 481738938 KGPCJJQDYCBMJU-SJORKVTESA-N 393.532 -0.331 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NCCCN2C(=O)CNC2=O)n1 788993538 HLVGVUPWIFIETR-UHFFFAOYSA-N 376.417 -0.384 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3CCOCC3)cn2)CC1 810344498 VSRKBUBREBVHEY-UHFFFAOYSA-N 385.468 -0.579 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c1 848392263 MCGMZSVGFJGOHE-ZDUSSCGKSA-N 378.410 -0.064 30 10 GBEE CC(C)[C@H](NC1CCOCC1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 863934268 IIKVMRFKWYFSIO-HNNXBMFYSA-N 375.429 -0.003 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 875605939 NIJWMNAJJFGYJK-WBVHZDCISA-N 392.500 -0.268 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2SCCS2)CC1 895878117 FXKCDZNBUIXWCM-UHFFFAOYSA-N 378.545 -0.023 30 10 GBEE C[C@H]1CN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C[C@@H](C)N1CC#N 915670075 ZOCTXDVETILBSG-GASCZTMLSA-N 386.522 -0.809 30 10 GBEE CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1118248290 ZTJRUJVXAZQGGZ-GOSISDBHSA-N 391.449 -0.067 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cccc2c1CNC2=O)[C@@H]1CCS(=O)(=O)C1 1260118464 YWWKFJSLYPXUBY-LLVKDONJSA-N 375.406 -0.483 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 1261387368 ZYJDPTLBZHBPPH-AWEZNQCLSA-N 379.438 -0.586 30 10 GBEE C=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1O 1281648035 KVKJQYXVPHHNML-VQHPVUNQSA-N 381.473 -0.480 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(CC)S(C)(=O)=O 1286372344 QUHWJLFOBZSCTM-ZDUSSCGKSA-N 382.490 -0.030 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1291924468 GITIYSAJWACVIJ-ATGSNQNLSA-N 380.445 -0.922 30 10 GBEE C=CCS(=O)(=O)CCNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1309339361 VXHHKQUAOIKASE-UHFFFAOYSA-N 397.519 -0.026 30 10 GBEE C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322692837 HAJIPFBFHQLOHU-QQOGMKOOSA-N 375.429 -0.772 30 10 GBEE CCC1(CO)CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1328815534 GBOJJUZGJLEIKX-CCEZHUSRSA-N 378.429 -0.360 30 10 GBEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)N2CCC[C@@H](CC#N)C2)C1=O 1329017624 GQHSOGQWGWIIGG-LXIYXOSZSA-N 375.429 -0.025 30 10 GBEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(C)C[C@@H](O)CN1C 1340703568 XXHWKXHVYGDHER-KDOFPFPSSA-N 378.477 -0.329 30 10 GBEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(C)C[C@H](O)CN1C 1340703572 XXHWKXHVYGDHER-KSSFIOAISA-N 378.477 -0.329 30 10 GBEE C#CCN(c1nnc([C@@H]2CN3CCC[C@@H]3CO2)n1C)[C@H]1CCS(=O)(=O)C1 1341316185 LDMLWXMZHYGOTI-ILXRZTDVSA-N 379.486 -0.023 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)C1 1342014031 KAXOOJGDSFGUCL-MRXNPFEDSA-N 398.463 -0.251 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ncn(C)n2)CC1 1359044798 OUVBZAZGIKMRAI-OAHLLOKOSA-N 398.471 -0.075 30 10 GBEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359250463 LIKDEMDCIGNNDC-DYVFJYSZSA-N 395.485 -0.066 30 10 GBEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)[nH]n2)n1 1475262239 WXZGXKYNWULYIQ-UHFFFAOYSA-N 381.414 -0.137 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](OC)C1 1513386051 STYVTEYFCITOOT-APIJFGDWSA-N 383.445 -0.976 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CN(C)C(=O)COC)C[C@]2(C)C1 1521620471 QWQVXFAMKNMEOJ-KSVNGYGVSA-N 393.484 -0.011 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)CCOC)CC1 1539446027 OHTYZNWGVIMLPV-MRXNPFEDSA-N 389.504 -0.437 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCC(=O)NCCC)C[C@@H]1O 1573000901 YWPFDHNMBCZOLG-KRXQYRFLSA-N 381.473 -0.038 30 10 GBEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 1593636130 HLTNYSYHKQWGOV-OLZOCXBDSA-N 398.489 -0.501 30 10 GBEE N#Cc1cnn(-c2ccc(C(=O)NC[C@]34COCCN3C(=O)COC4)cc2)c1N 1632292146 JUJDRLMRZHWZSH-LJQANCHMSA-N 396.407 -0.316 30 10 GBEE C#CC1(O)CN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1 1653281693 YDKVQBQLANSZAC-UHFFFAOYSA-N 377.466 -0.347 30 10 GBEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705532731 QIQYMZDWDQPASL-LSDHHAIUSA-N 386.456 -0.268 30 10 GBEE CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1729227937 HWUIAZJBKGUPSJ-CHWSQXEVSA-N 384.462 -0.202 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740952731 MABGDIRICQGIBA-RHSMWYFYSA-N 389.504 -0.122 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748962549 KWCPOWHWYXXQIE-YOEHRIQHSA-N 398.485 -0.582 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(C)=O)CC1 1748971599 WMKFUYZDKHGSSD-UHFFFAOYSA-N 387.488 -0.205 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(=O)c(OC)co3)CC2=O)CC1=O 1853875156 FJRROYISUOGWKZ-CYBMUJFWSA-N 389.408 -0.146 30 10 GBEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)C(=O)NCC#N)COC2)CC1 2194718432 SLBLHVFSOCGXJR-UHFFFAOYSA-N 381.433 -0.936 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(=O)NC(=O)C3)cc2)OC1(C)C 2282340562 HNCUDSJMCYKZMW-UHFFFAOYSA-N 380.231 -0.367 30 10 GBEE C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282840626 ORZDKSPAXKHAHN-GHMZBOCLSA-N 385.299 -0.609 30 10 GBEE Cc1nc(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3N)c(B2OC(C)(C)C(C)(C)O2)n1C 2282871633 JVAJHAYGPYXHEV-GRYCIOLGSA-N 382.295 -0.252 30 10 GBEE CC1(C)OB(c2nc(=NC(=O)CCN3C(=O)CCC3=O)s[nH]2)OC1(C)C 2283942669 NHKZBDCBTZGNJO-UHFFFAOYSA-N 380.235 -0.263 30 10 GBEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1-n1cnnn1 369802083 RCWBTYPOFFAHER-AWEZNQCLSA-N 396.411 -0.192 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CCSC2)c1 568647160 OVFPTTDSSQSGMI-CYBMUJFWSA-N 391.496 -0.365 30 10 GBEE N#Cc1sccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 593538325 LOXYMPRBJOBDLE-WDEREUQCSA-N 391.496 -0.604 30 10 GBEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(OCCO)CCOC1 597989671 GYTJHBXNYFDSSW-DYVFJYSZSA-N 397.453 -0.491 30 10 GBEE C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 669816245 JIZSCLTVRMCRNL-UHFFFAOYSA-N 386.478 -0.691 30 10 GBEE COC(=O)C(C)(C)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 779571252 ZZBPSZRLCWMSPP-PFONDFGASA-N 393.444 -0.208 30 10 GBEE C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 859439336 WRDHTIODDMKKQO-SFHVURJKSA-N 388.468 -0.103 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(=O)Nc2cc(C)on2)C1 1289627737 VQJNYIFZDGOYCP-XFMPKHEZSA-N 392.412 -0.409 30 10 GBEE CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 1328146051 OZIXYXHDQROPHK-UHFFFAOYSA-N 397.432 -0.736 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 1336132654 PPYLGEZJEBPOOO-WZQKQDCOSA-N 386.518 -0.046 30 10 GBEE N#Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc2n1CCOC2 1463333071 FEVSPMYLKAIZBZ-UHFFFAOYSA-N 386.393 -0.038 30 10 GBEE C#CCSCCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1465291690 HFYROYYBEGUEBT-UHFFFAOYSA-N 390.508 -0.149 30 10 GBEE C#CC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC 1468875144 IQWUWBWCRBXUGP-AWEZNQCLSA-N 395.437 -0.652 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCOC2CCOCC2)C1 1702216178 WCWSVZUERPMMGH-VQHPVUNQSA-N 382.457 -0.149 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCNC(=O)NC)nn1 1702909832 SMJYCKFFRZOYEQ-DYEKYZERSA-N 375.433 -0.355 30 10 GBEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCNS(C)(=O)=O 1748907683 YWGPVMJYUATGHT-UHFFFAOYSA-N 382.490 -0.087 30 10 GBEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 1749677533 BXKIQCUASNUBGS-UHFFFAOYSA-N 386.460 -0.232 30 10 GBEE CS(=O)(=O)N1CC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)C1 1857220825 YSYYMUFPIGMLQS-HIFRSBDPSA-N 394.497 -0.121 30 10 GBEE CC1(C)OB(c2cnccc2C(=O)NC[C@H]2CCS(=O)(=O)N2)OC1(C)C 2281795858 HTCMXPJGCJEPLT-LLVKDONJSA-N 381.263 -0.198 30 10 GBEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)CCS1(=O)=O 2281972883 OPIAHBCJWIEZET-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]12COC[C@@H]1C2 2282307027 WEJZPTCEPRMPCN-ZUZCIYMTSA-N 384.267 -0.571 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)N(C)C 2282334745 GBMMXZFFRLTYJI-JTQLQIEISA-N 386.283 -0.526 30 10 GBEE CNS(=O)(=O)C1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282612457 FXTIYCGIRKKCJZ-UHFFFAOYSA-N 382.251 -0.851 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCOC[C@H]2CO)n1 2282837939 IEWLDYCILXWFMI-LLVKDONJSA-N 387.267 -0.899 30 10 GBEE Cc1nc(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)no1 2282841801 PVVZPHJWSCZGML-UHFFFAOYSA-N 383.239 -0.111 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2C[C@@]2(O)C1 2282850374 OFCNQWDRYMDVPS-BDJLRTHQSA-N 383.279 -0.135 30 10 GBEE C[C@@H](C=CC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284409605 LJOMXUREVPVIGT-VIFPVBQESA-N 386.239 -0.578 30 10 GBEE C#CCC[C@H](NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)O 2313845182 LXEMZLISUAKIFT-WDEREUQCSA-N 376.431 -0.093 30 10 GBEE CC(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@H](C)C1 440584391 ZWXXXPKVCNRSFH-CYBMUJFWSA-N 395.423 0.465 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)CC1 538199085 QPJPORWSUBHFQR-HUUCEWRRSA-N 381.477 -0.748 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cn(C)nc2C)CC1 551840130 PZCVLGKDIBCGMR-ZDUSSCGKSA-N 376.461 -0.648 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CC1 569151736 OSSPXRAYHPBPOS-KUHUBIRLSA-N 380.489 -0.247 30 10 GBEE CC(=O)OC[C@H]1O[C@@H](n2cnc([N+](=O)[O-])c2C#N)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575629758 KBNKULLQJGILOP-RGCMKSIDSA-N 396.312 -0.013 30 10 GBEE C#CCN(C(=O)C(=O)NCCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1117301774 CXHSTWJJVFBDDO-INIZCTEOSA-N 383.514 -0.127 30 10 GBEE CN(C)CC#CCNC(=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CS(=O)(=O)C2 1123845377 ROSMSOJMCMUYJP-KSSFIOAISA-N 399.513 -0.051 30 10 GBEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1134203403 LSGKTQLMDQHFCG-LLVKDONJSA-N 385.467 -0.239 30 10 GBEE Cn1c(=O)n(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc21 1148392704 FWFVFOMJPPFXBX-UHFFFAOYSA-N 382.380 -0.320 30 10 GBEE C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1nc2ncccn2n1 1291865470 IJYVVXGXVJRSPN-XGUBFFRZSA-N 382.424 -0.047 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)nc1 1300532079 MFNULKYOSLXWTI-OAHLLOKOSA-N 377.408 -0.156 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H]1CCS(=O)(=O)C1 1342088644 WLXVPEMYXAXGKA-CVEARBPZSA-N 397.497 -0.995 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)CC 1358939082 PPWJEUAGOYYNTD-NSHDSACASA-N 377.492 -0.608 30 10 GBEE C#CCN(c1nnc(CC)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1358964482 ZTJNXFFZXIWZJB-GFCCVEGCSA-N 389.503 -0.984 30 10 GBEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC1CC1 1358999960 IJHJSWRULUXVPG-LBPRGKRZSA-N 382.490 -0.126 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccnn2C)c1 1452185396 FEIBGUHJTBVVSB-OAHLLOKOSA-N 390.421 -0.024 30 10 GBEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccon1 1540862717 HSVVRRFZXRHALI-NSHDSACASA-N 397.461 -0.185 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(C)(=O)=O)nc2)C1=O 1634523748 LNCUGNHCEHTWKY-UHFFFAOYSA-N 380.382 -0.922 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(C(=O)OC)cn2)CC1 1664997772 CRDQRZZMXBDVAL-UHFFFAOYSA-N 395.441 -0.206 30 10 GBEE C#CCN(C(=O)NC[C@]1(OC)CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 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GBEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(CCC)n2N)CC1 813390753 ZJXGZAIROXGXRX-UHFFFAOYSA-N 381.506 -0.517 30 10 GBEE C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 875595396 ACVGJQOGUQXDOR-AWEZNQCLSA-N 375.429 -0.322 30 10 GBEE C=C1[C@H](C(=O)N2CC[C@](C)(C(=O)NC)C2)[C@H]1C(=O)N1CC[C@@](C)(C(=O)NC)C1 907937978 CGOPDSUZVMEMNH-WZBLMQSHSA-N 390.484 -0.242 30 10 GBEE C#CCN(C(=O)C(=O)NCc1cccc(C(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 1117042037 HQISFQTZDHYEHG-OAHLLOKOSA-N 391.449 -0.689 30 10 GBEE C=CCN(C)CCN(CC)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 1139865902 WGIPRBNIZWGPSY-UHFFFAOYSA-N 376.461 -0.210 30 10 GBEE CC(=O)c1cn(C2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nn1 1184449053 CSAPEZBAZMQZCD-UHFFFAOYSA-N 388.409 -0.286 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CCO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1280565190 HXQDHNVGVXBNIZ-UGUYLWEFSA-N 393.484 -0.051 30 10 GBEE CN1CCC(C#N)(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1292879578 AWHVWLAWIGWHST-HNNXBMFYSA-N 389.431 -0.167 30 10 GBEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300756620 RARPPYPIAVOWPZ-OLZOCXBDSA-N 389.485 -0.191 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCO[C@@H](c2ccco2)C1 1322692048 AJSBLNMOUBMFGG-PQDJCJPTSA-N 388.380 -0.178 30 10 GBEE C=CCC1(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CCOCC1 1326175146 BMDMKSQQPGFAKZ-UHFFFAOYSA-N 377.445 -0.152 30 10 GBEE CN(CC(=O)N1CCOCC1)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1326804120 OEFKKKCHFJEKQT-INIZCTEOSA-N 388.424 -0.633 30 10 GBEE C#C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CCOCC1 1334831153 BLQRLPJSICFSRK-ZIAGYGMSSA-N 381.454 -0.304 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@]4(CCCOC4)C3)C2)c(=O)nc1O 1335057559 DZBUOAMKOKXFRT-GOSISDBHSA-N 387.396 -0.767 30 10 GBEE C=CCCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1347850213 QHTAGMYYCTUKOZ-DGAVXFQQSA-N 378.429 -0.233 30 10 GBEE C=CCCC1(CNC(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CCCC1 1353085266 GIMDMCMZFOXHTB-AWEZNQCLSA-N 384.502 -0.010 30 10 GBEE C=C(Cl)C[C@@H](NS(=O)(=O)CCS(=O)(=O)N(C)C)C(=O)OCC 1464255701 JTONEWDZNRBIDG-SNVBAGLBSA-N 376.884 -0.129 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1468853946 OGWOXBLAMRNCHK-ADZRIMHTSA-N 383.426 -0.683 30 10 GBEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H](CO)[C@@H](CO)C3)C2=O)cc1 1587808183 ZGGCCNOKKGWYCJ-LZWOXQAQSA-N 386.408 -0.178 30 10 GBEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1597692269 RNKVOZRCVWCJDH-NEPJUHHUSA-N 377.401 -0.790 30 10 GBEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722432086 RYPXDFKQKFEILR-QGZVFWFLSA-N 381.502 -0.294 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN([C@H]3CCN(C)C3=O)C(C)(C)C2=O)CC1=O 1856069312 ODRUNKOLKHQDQX-KBPBESRZSA-N 376.457 -0.299 30 10 GBEE CC1(C)OB(c2nc(=NC(=O)N[C@@H]3CCS(=O)(=O)C3)s[nH]2)OC1(C)C 1893243218 KAGJVCAJIUQOLL-MRVPVSSYSA-N 388.280 -0.432 30 10 GBEE N#CCNC(=O)CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2019100372 WWHAKKTVFXQBLJ-CYBMUJFWSA-N 397.409 -0.189 30 10 GBEE CCOC(=O)CS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2047611663 BAYCARLTNRSOBY-UHFFFAOYSA-N 377.253 -0.436 30 10 GBEE N#CC1(CS(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)CCC1 2174783806 GVMSXAIFHKKUNH-NXEZZACHSA-N 396.391 -0.136 30 10 GBEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNS(=O)(=O)c1cccnc1C#N 2233962213 BWUWXFWCJJQWJJ-SGMGOOAPSA-N 398.441 -0.427 30 10 GBEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC(=O)NC2=O)OC1(C)C 2267370412 LNRCFPHLYHVGQF-VIFPVBQESA-N 386.260 -0.259 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H](O)C(=O)O)OC1(C)C 2269038792 PQQXLNQIEVNSBU-VIFPVBQESA-N 392.264 -0.693 30 10 GBEE CN([C@H](CN)C1CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282326281 QCLRJZFMBODNGB-LLVKDONJSA-N 385.299 -0.528 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1C[C@@H](CCO)C1 2282326374 ROGDIOJXXXCLIX-PHIMTYICSA-N 386.283 -0.446 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]12CC[C@@H]1CNC2 2282338470 NRLRQSJZSVMXHE-BZNIZROVSA-N 382.295 -0.250 30 10 GBEE 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C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1749640304 NJRYFPFEZGFCCG-UHFFFAOYSA-N 375.477 -0.203 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749665728 AWXDJEWXCSFZAN-NWDGAFQWSA-N 375.433 -0.802 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(N)=O 1757792011 SYRJYUNQDGKGKQ-TUVASFSCSA-N 379.461 -0.236 30 10 GBEE C#CCNC(=O)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249456690 NQVBHUGZLYQJBD-CYBMUJFWSA-N 397.409 -0.965 30 10 GBEE Cc1nc(S(=O)(=O)N2CC3(CCN3)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504848 VNEBHFHAXYEGID-UHFFFAOYSA-N 382.295 -0.236 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282507596 JQMKDNNLJAIFQL-VXGBXAGGSA-N 385.295 -0.032 30 10 GBEE CNC(=O)C1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282849853 HQBCKLNTDJGYRQ-UHFFFAOYSA-N 384.267 -0.914 30 10 GBEE C=C(CS(=O)(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)B1OC(C)(C)C(C)(C)O1 2335461747 HKESUERBTTUTSE-JTQLQIEISA-N 397.280 -0.409 30 10 GBEE C/N=C(/NCCS(=O)(=O)NCC1CCC1)N1CCS(=O)(=O)C(C)(C)C1 261935926 CLFQXQXLRHAGFQ-UHFFFAOYSA-N 394.563 -0.210 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 273472485 XWRVOVGXJPZECY-CQSZACIVSA-N 397.453 -0.301 30 10 GBEE CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349511907 UFLLDDLQBSLILY-NEPJUHHUSA-N 380.492 -0.910 30 10 GBEE COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]2(C#N)CCOC2)C1 349526421 PQRDXXLPQNFZRR-CQSZACIVSA-N 395.503 -0.629 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)C1=O 368416981 OEUZQIBBUMPZOM-RYUDHWBXSA-N 381.385 -0.468 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 498993636 CZCFGTUTXLGWTA-UHFFFAOYSA-N 385.424 -0.685 30 10 GBEE CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(C(=O)CC#N)CC2)CC1 563361316 HBEPUGYULHLGPP-UHFFFAOYSA-N 392.504 -0.897 30 10 GBEE N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1 576887895 VSZSOXSBIJCAOA-LLVKDONJSA-N 375.428 -0.818 30 10 GBEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 584183705 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10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](F)COC)CC1 1539447900 YQSVMADXKZMSBB-HUUCEWRRSA-N 399.492 -0.080 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1 1558072846 GEXFKLWWBATHDF-UHFFFAOYSA-N 388.490 -0.099 30 10 GBEE N#Cc1cn(C2CN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)c(=O)nc1O 1558805529 PHLMNCGIQBOQAY-NSHDSACASA-N 384.439 -0.876 30 10 GBEE N#Cc1cn(C2CN(C(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)C2)c(=O)nc1O 1558806332 LWVNEJQGSBLKMG-ZJUUUORDSA-N 385.302 -0.482 30 10 GBEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@]34COCCN3C(=O)COC4)CC2=O)cc1 1595390128 WOWFFYXJOMSHHN-MGPUTAFESA-N 398.419 -0.345 30 10 GBEE C#CCN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 1618029790 GMONFHXOXWBGGJ-CQSZACIVSA-N 381.502 -0.129 30 10 GBEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C#N)CO 1635476460 LSZDNORROPFBJZ-CHWSQXEVSA-N 387.845 -0.126 30 10 GBEE CNC(=O)NC[C@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1636363721 XGPCDYBEQUTGAZ-HNNXBMFYSA-N 394.453 -0.371 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)NC2CCN(C(C)C)CC2)c(=O)n1CCO 1653037035 LREADJXROIKMJX-UHFFFAOYSA-N 377.445 -0.829 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1748860575 YHCZCEIPWWEUNA-ZIAGYGMSSA-N 375.454 -0.468 30 10 GBEE C=C1CCCN([C@@H]2CCN(C(=O)[C@H]3CS(=O)(=O)CN3C(C)=O)C2=O)CC1 1854638370 NJNDZLZLRWNZIW-HUUCEWRRSA-N 383.470 -0.241 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)CC2=O)CC1=O 1855446212 ZSIFWPBXVHMCMM-ZIAGYGMSSA-N 383.470 -0.874 30 10 GBEE O=C(N[C@@H](CS(=O)(=O)NCC#CCCO)C(=O)O)OCc1ccccc1 2244226072 QBJXSCNUKDLRPW-AWEZNQCLSA-N 384.410 -0.329 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](O)[C@H]2C1 2282308019 LPHBVOZSAHNBPK-DCAQKATOSA-N 384.267 -0.884 30 10 GBEE Cc1cn(C)c(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)n1 2282319486 UNQJIFXFJADMSA-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]12CCNC[C@H]1C2 2282339276 SYSBJGWLDKUOHA-BZNIZROVSA-N 382.295 -0.250 30 10 GBEE 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CCC(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 425800676 QIPHJOBSGMZHJA-UHFFFAOYSA-N 381.396 0.424 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 479909711 CZZOURIZVNPRAZ-AWEZNQCLSA-N 387.502 -0.585 30 10 GBEE CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 506952118 HXIDYMMLFTXKLI-UHFFFAOYSA-N 399.499 -0.692 30 10 GBEE COC(=O)[C@@]1(OC)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 599563764 DKEIXGQMYWRFOD-GOSISDBHSA-N 391.428 -0.233 30 10 GBEE Cc1nc(C#N)c(N2CCC(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)CC2)o1 600712589 YRANBMPBKJRARG-UHFFFAOYSA-N 396.473 -0.322 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2c(C)noc2C)CC1 672719940 XTPPECQVPVUQIV-LBPRGKRZSA-N 377.445 -0.085 30 10 GBEE N#CCCN1CCN(C(=O)C(=O)N2CCC(N3[C@H]4CC[C@H]3CNC4)CC2)CC1 903776471 MTZSFLPBSRWZJY-ROUUACIJSA-N 388.516 -0.529 30 10 GBEE C[C@H](O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CCO1 1118246720 UDWISXPZKMHPIC-HUBLWGQQSA-N 395.437 -0.081 30 10 GBEE 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10 GBEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)CN2CCOCC2)c1 1639274939 VWLOHGWXSZHGFE-GFCCVEGCSA-N 385.417 -0.454 30 10 GBEE N#CCc1ccccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1661387502 HBHXTGUGFXTNPC-ZDUSSCGKSA-N 385.467 -0.276 30 10 GBEE C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1COC[C@@H]12 1702228059 DOCNYIKNBNJQEF-FXUDXRNXSA-N 391.468 -0.224 30 10 GBEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1722700442 JQGZGUQJSONNSM-HNNXBMFYSA-N 399.455 -0.483 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 1748991450 XEGYPKNBMGHWPW-OAHLLOKOSA-N 396.517 -0.524 30 10 GBEE C=CCN(C(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C)[C@H]1CCN(C)C1=O 1850576723 LTGRQBYTIJBRIM-AWEZNQCLSA-N 397.501 -0.004 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCO1 2249437609 ITTANLAHPPQFMT-ZIAGYGMSSA-N 397.409 -0.080 30 10 GBEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(O)(CN)C2)OC1(C)C 2267727088 SVNWBJQDZNMNDS-UHFFFAOYSA-N 388.320 -0.118 30 10 GBEE 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C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)[C@@H](C)CO 410863565 IWIPQJRIHIFGAX-KBPBESRZSA-N 375.429 -0.808 30 10 GBEE CCC1(CC)CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCS1(=O)=O 427794765 CKFOZPQMPLZCJK-UHFFFAOYSA-N 381.458 0.551 30 10 GBEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)N=c1ccn(CCC#N)[nH]1)C2 485038424 YLHOEVZUKGXVHV-YVEFUNNKSA-N 375.385 -0.805 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCCC2)CC1 560015812 KSHFQGNDFOLUTJ-MRXNPFEDSA-N 379.505 -0.719 30 10 GBEE CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN2CCO[C@H]1C2 562556774 IXUPBVSOKWIBLD-CVEARBPZSA-N 378.454 -0.232 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CCc2cccn2C)CC1 566028994 NLNFMUKZGURHBO-MRXNPFEDSA-N 389.500 -0.091 30 10 GBEE COC(CNC(=O)C(/C=C1\C(=O)ONN1C)=NC(=O)c1ccccc1)OC 585673737 QTZDJFXQPVFBDD-HZTCXWIESA-N 376.369 -0.205 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC)CC(F)(F)F)c1=O 631006281 WOSONHQYUNABJE-UHFFFAOYSA-N 376.335 -0.046 30 10 GBEE C#CCN(C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 774255716 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C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 1646157396 PNZMIWANPYTXSC-UHFFFAOYSA-N 391.449 -0.593 30 10 GBEE Cn1c(N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)cc(=O)n(C)c1=O 1851789099 BHGRETIRHHSGPM-UHFFFAOYSA-N 388.815 -0.034 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CC3(C2)OC[C@@H](O)[C@@H]3O)OC1(C)C 2282019156 HQKNXZFEPQURCJ-PWSUYJOCSA-N 382.247 -0.611 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N2CC3(C2)OC[C@H](O)[C@@H]3O)OC1(C)C 2282180483 UCAHLYZLYCKEBR-AAEUAGOBSA-N 381.259 -0.006 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1cnc[nH]1 2282329858 SCXFOSLWAPZSTJ-UHFFFAOYSA-N 381.267 -0.037 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]2CNC[C@@H]21 2282331507 ONTAIUMYNYTBHF-AAEUAGOBSA-N 382.295 -0.298 30 10 GBEE CN(C)C[C@H](O)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282411002 ZSVZOOBQWKVODO-CYBMUJFWSA-N 385.295 -0.418 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@]2(CN)C1 2288266898 IJYXIVYEAVXYTL-ZBEGNZNMSA-N 382.295 -0.311 30 10 GBEE 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30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2nn[nH]n2)s1 1302137207 KHEMJBJJOLYZBK-LLVKDONJSA-N 398.470 -0.132 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cnn(-c2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 1320689660 KQYSHLIDTVFMOQ-AWEZNQCLSA-N 387.421 -0.145 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)C1 1325589450 FBVVNBFJLVWCHR-CVEARBPZSA-N 380.489 -0.151 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1326251714 YNGFZXJUBKTHOP-GJZGRUSLSA-N 380.445 -0.710 30 10 GBEE C#CCN(C(=O)C(=O)N[C@@H](C1CCOCC1)C1CC1)[C@@H]1CCS(=O)(=O)C1 1326738157 NGPLTOYMDMOYFA-HZPDHXFCSA-N 382.482 -0.043 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 1336127005 ADPGBZNGTSASNS-QLFBSQMISA-N 379.490 -0.301 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1353642256 CYBLXLWZLGLXTC-NEPJUHHUSA-N 383.426 -0.198 30 10 GBEE C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1356738169 VKVZGVZQLLISBN-YRBFXIGRSA-N 377.441 -0.715 30 10 GBEE 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399.473 -0.428 30 10 GBEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(S(=O)(=O)CC)C3)CC2=O)CC1=O 1853997708 VXKXBQPRVLPOIY-UONOGXRCSA-N 397.497 -0.485 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CC(S(=O)(=O)CC)C3)C2=O)CC1=O 1854961087 GFYFNKVVRIPXNF-JSGCOSHPSA-N 383.470 -0.733 30 10 GBEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267377006 DMAXWDHYKWCOBG-XMMPIXPASA-N 392.312 -0.018 30 10 GBEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267717848 KBBRCZPGRVLYKA-XMMPIXPASA-N 393.300 -0.623 30 10 GBEE CC1(C)OB(c2cncc(C(=O)NCC3(S(N)(=O)=O)CC3)c2)OC1(C)C 2282173632 AJOVZUFYQWXKBB-UHFFFAOYSA-N 381.263 -0.068 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCc1cc[nH]n1 2282314781 FGJPCTSRXVHGOJ-UHFFFAOYSA-N 382.255 -0.642 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H](N)C1CCC1 2282315068 JINRGSHSHBMBPW-NSHDSACASA-N 385.299 -0.480 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2COC[C@@H]2CO)n1 2282503034 SYOMKJXULQOIFB-CMPLNLGQSA-N 387.267 -0.995 30 10 GBEE 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GBEE C#CCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1321547826 XJVCJBCHFOOMJX-BBRMVZONSA-N 387.527 -0.811 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)C1 1325710786 NHZMHCHMHVCZAZ-CQSZACIVSA-N 391.424 -0.021 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)C1 1351406636 CWDAQNYAKCNJOF-KXBFYZLASA-N 395.456 -0.734 30 10 GBEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnnn1CC1CC1 1359230874 IESRREMCOHOPDZ-LLVKDONJSA-N 395.493 -0.045 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2nc(C(C)C)no2)CC1 1477787875 CECHCYZMQCDEKC-UHFFFAOYSA-N 384.462 -0.470 30 10 GBEE CS(=O)(=O)c1cccnc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478581055 HDVYZCPKPRRQIA-XHDPSFHLSA-N 398.466 -0.435 30 10 GBEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)c1 1565629710 GIZUODKNGOMXAS-LLVKDONJSA-N 382.417 -0.198 30 10 GBEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O 1588560111 NASXNRJCNKEQRX-GOSISDBHSA-N 376.461 -0.019 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1cccnc1=O 1634867282 LYNZQBKZQOYZEN-UHFFFAOYSA-N 389.437 -0.122 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1O 1702213793 LKNZXMLIOVFPIL-SYQHCUMBSA-N 377.397 -0.712 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749663361 BLGAQQQEZRJPEF-TZMCWYRMSA-N 382.428 -0.248 30 10 GBEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@H]3COCCO3)C2=O)C1 1854290048 GBOIUTYVGNUBLN-DOTOQJQBSA-N 386.408 -0.051 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)C3CC3)C(C)(C)C2=O)CC1=O 1854714976 XOJFCUVTETXFJQ-GFCCVEGCSA-N 383.470 -0.038 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@](C)(O)CO)OC1(C)C 2267466494 BFTMWLLVRUBYQX-CQSZACIVSA-N 392.308 -0.395 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)NCCNS(=O)(=O)C2CC2)OC1(C)C 2281978149 YUBAODGKDPPSQS-UHFFFAOYSA-N 384.267 -0.480 30 10 GBEE CN1CC(CCNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282320670 LQTWINKBQOOZRF-UHFFFAOYSA-N 385.299 -0.656 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCNC[C@H]3O)cc2)OC1(C)C 2282336817 HFFBIXPPLHQQJH-LSDHHAIUSA-N 382.291 -0.013 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1COC[C@H]1O 2282348318 JYPNQSLTTHNCQI-ZYHUDNBSSA-N 387.267 -0.995 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@H]1C[C@@H]2O 2282855746 IUEXNKRFQQYQER-WOPDTQHZSA-N 383.279 -0.137 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]1(C#N)CCSC1 2282868017 HHWLVSZEENWTFD-CQSZACIVSA-N 399.307 -0.208 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC=C[C@H]1C(=O)O 2284395584 NAZRYRUXSNMBIK-NSHDSACASA-N 383.235 -0.267 30 10 GBEE C#Cc1cnn(C2CN(C(=O)[C@@H]3[C@@H](O)[C@@H](O)CN3C(=O)OC(C)(C)C)C2)c1 2365020831 YVSSDQXNQXWGOH-KKUMJFAQSA-N 376.413 -0.411 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOC)[C@@H](CC)C2)c1=O 117324889 SUBZLXSPZIJQRC-INIZCTEOSA-N 393.488 -0.456 30 10 GBEE CC/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCS(=O)(=O)C(C)(C)C1 261952860 HXGXFBCXCHOVRU-UHFFFAOYSA-N 387.550 -0.375 30 10 GBEE N#CCCN(C(=O)CCC(=O)N1CCN(CC(N)=O)C(=O)C1)c1ccccc1 458042993 GMWNJDGGDXKSSC-UHFFFAOYSA-N 385.424 -0.130 30 10 GBEE C=CCCCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 580212627 SKGHEQGBXYBEHS-UHFFFAOYSA-N 380.489 -0.148 30 10 GBEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1COCCN1C 600050471 KRZOJZYMIQDXRC-CQSZACIVSA-N 376.413 -0.031 30 10 GBEE CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccoc2)c1=O 727418151 NYOGGBNHUFZLFS-UHFFFAOYSA-N 391.449 -0.195 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 761038122 NRXIHWHYFDVXSI-HOTGVXAUSA-N 384.502 -0.758 30 10 GBEE Cn1c(N2CCCC2)c(C=NNC(=S)NC[C@@H]2CCCO2)c(=O)n(C)c1=O 817324263 XKJRSIVSVRLQIM-LBPRGKRZSA-N 394.501 -0.339 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2CC(F)(F)F)CC1 831574480 IFLJPOJSHJUYNB-GFCCVEGCSA-N 382.408 -0.375 30 10 GBEE Cn1c(NC2(CCO)CN(C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 840384591 LPHCSNNTUKQKES-UHFFFAOYSA-N 379.417 -0.261 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN(c2nccnn2)CC1 859421905 GZSCBRYDRZUISK-INIZCTEOSA-N 395.423 -0.416 30 10 GBEE N#Cc1cccnc1NCCNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 861564413 KBASPSKAQKCVDY-UHFFFAOYSA-N 386.460 -0.282 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)cnc2F)CC1 861766148 CAYSQRUGQGQMSD-UHFFFAOYSA-N 379.392 -0.386 30 10 GBEE CCS(=O)(=O)CCCNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1118361526 OJQNDUFIPFDCAH-HNNXBMFYSA-N 381.454 -0.009 30 10 GBEE N#C[C@]12CN(C(=O)c3cccc(CS(N)(=O)=O)c3)C[C@H]1CS(=O)(=O)C2 1179650805 INGNBKXAGQVALB-DZGCQCFKSA-N 383.451 -0.515 30 10 GBEE N#CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)C1 1261474520 FNUZUNXFUPFXRD-YVEFUNNKSA-N 393.421 -0.785 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1CC(=O)N1CCOCC1 1286399717 MSGFZKOYHFCNEC-INIZCTEOSA-N 389.456 -0.066 30 10 GBEE C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCCC1 1321662082 HTVKGNOLJVVCDM-UWZWCOGJSA-N 377.445 -0.523 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1325659114 LFNBQEBBMCRXPK-GJZGRUSLSA-N 395.456 -0.011 30 10 GBEE 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CN(Cc1nn[nH]n1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282330453 ZTVXSSUVQJAKIO-UHFFFAOYSA-N 383.243 -0.947 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CN 2282424001 WFZLTRDHKQOBPE-GMXVVIOVSA-N 382.295 -0.313 30 10 GBEE Cc1nc(S(=O)(=O)NCc2nn[nH]n2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504544 QNLGZJSVDAJSNE-UHFFFAOYSA-N 383.243 -0.981 30 10 GBEE CC1(C)OB(c2ccccc2C(=O)NCCCNS(N)(=O)=O)OC1(C)C 2282645740 KTZYWZZTBAVLQP-UHFFFAOYSA-N 383.279 -0.101 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC2CC1(CO)C2 2282852305 NMCDFFUDOPHCNR-UHFFFAOYSA-N 383.279 -0.135 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@H]1C[C@H]2O 2282861027 JMCXECDKZROTIZ-NTZNESFSSA-N 383.279 -0.137 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)co2)OC1(C)C 2360575719 LZPLWALPKMBRMC-JTQLQIEISA-N 387.219 -0.194 30 10 GBEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)S(N)(=O)=O)n1C 2362438247 NQYHXADJFJQFQE-SECBINFHSA-N 386.283 -0.565 30 10 GBEE C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ncccc2C#N)CC1 280343464 BOXOLDKSHDLFCU-GFCCVEGCSA-N 397.439 -0.674 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 283138460 DNFYEFLZAOXORK-UHFFFAOYSA-N 384.440 -0.269 30 10 GBEE CO[C@H]1C[C@H](/C(O)=N/[C@@H]2CCCN(c3ccn(C)n3)C2=O)N(S(C)(=O)=O)C1 329862493 RDABIRIHYQHKDH-YNEHKIRRSA-N 399.473 -0.079 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 349479928 VXYPSBBRWMGHKO-AWEZNQCLSA-N 390.487 -0.504 30 10 GBEE COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@]2(C#N)CCOC2)C1 349526419 PQRDXXLPQNFZRR-AWEZNQCLSA-N 395.503 -0.629 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 491048617 JTXIOQZPNWDBSL-HHHXNRCGSA-N 392.481 -0.191 30 10 GBEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCn1cnc(C#N)n1 510627947 JNEBMTQAZLLILE-WFFHOREQSA-N 376.373 -0.716 30 10 GBEE CC(=O)OC[C@H]1O[C@](F)(C#N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616585868 KECVBZMPOOTOSB-XLWJZTARSA-N 375.305 -0.067 30 10 GBEE 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C#CCN1CCC(NC(=O)C(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)CC1 1338506490 OOCDRVLFIRAPKS-CALCHBBNSA-N 398.467 -0.004 30 10 GBEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCO[C@H](CNC(=O)NC)C1 1340347084 ZHQSDHHODFTCGV-ZIAGYGMSSA-N 379.465 -0.399 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC([C@@H]2CCCNC2)CC1)[C@@H]1CCS(=O)(=O)C1 1347160763 QIHRRMYURVSCTF-IAGOWNOFSA-N 395.525 -0.127 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(CCOC)C1 1507651504 BTWWHZHVZDPHSV-JKSUJKDBSA-N 398.467 -0.203 30 10 GBEE C#CCOCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1515342227 XAKALIYJIMRHDT-FXUDXRNXSA-N 379.457 -0.198 30 10 GBEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1606607559 BKGKLCANZORRHV-CJNGLKHVSA-N 383.474 -0.245 30 10 GBEE C#CC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C(=O)OC 1629617216 KDGYVKVBCNAUEI-ZIAGYGMSSA-N 377.372 -0.591 30 10 GBEE COCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1698226777 PZUYCRFRDQSVSX-UONOGXRCSA-N 399.473 -0.428 30 10 GBEE 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Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H](O)[C@H](O)[C@@H]1CO 2281968124 BMCVWZOILHZRNL-JBLDHEPKSA-N 384.263 -0.711 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@]3(CN)CO)ns2)OC1(C)C 2282005038 KFCZSKIXFLDALT-INIZCTEOSA-N 383.279 -0.396 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@@H]3C[C@H](CO)[C@H](O)[C@H]3O)s2)OC1(C)C 2282199784 LFWSEWNBCSGANF-JYILRKAJSA-N 383.275 -0.120 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](O)(CO)[C@@H](O)C3)s2)OC1(C)C 2282205185 ODOOZUPHXJWNTD-YVEFUNNKSA-N 383.275 -0.023 30 10 GBEE CN(c1ccncn1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282287230 WLASLZVSRLXLKH-UHFFFAOYSA-N 380.239 -0.271 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CN 2282326245 PNJYQSAJZQGPFS-GARJFASQSA-N 383.283 -0.918 30 10 GBEE CN1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H]2C[C@@H]21 2282854445 RLGYQKQLPSZHEX-STQMWFEESA-N 382.295 -0.204 30 10 GBEE CC[C@@H](CC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284409763 NIRBWNDBBKSFMI-VIFPVBQESA-N 388.255 -0.354 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2359402864 WIVKUCUHAOAFGH-SZEHBUNVSA-N 384.219 -0.927 30 10 GBEE CC/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCC[C@@]2(CNC(=O)C2)C1 261838659 WJLRDFSXBCBFPA-WMLDXEAASA-N 385.534 -0.165 30 10 GBEE C/N=C(/NCCc1nc(C)no1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261854863 YNBVDEHENLYQSA-UHFFFAOYSA-N 397.461 -0.368 30 10 GBEE CCc1nn(C)cc1C/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 329150235 RIXBVOYBQCASHE-UHFFFAOYSA-N 378.477 -0.127 30 10 GBEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(CC(=O)N2CCOCC2)CC1 330577406 OXPLHRGDAMEFSH-QFBILLFUSA-N 379.505 -0.094 30 10 GBEE C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 564758464 LESCTLMLVDPONF-GFCCVEGCSA-N 385.442 -0.063 30 10 GBEE CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)c2)c(=O)n1CC(N)=O 575339063 QXJMGGYZHWYYJO-UHFFFAOYSA-N 390.490 -0.206 30 10 GBEE N#C[C@H]1CSCCN1S(=O)(=O)c1cccc(S(=O)(=O)NCCO)c1 583273912 GHRPALAPAORAII-NSHDSACASA-N 391.496 -0.413 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 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30 10 GBEE C#CCN(C(=O)c1cc(OC)c(S(N)(=O)=O)s1)[C@@H]1CCS(=O)(=O)C1 1116246916 VPYAUBOXJSIDRW-SECBINFHSA-N 392.480 -0.333 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@]12OCCC[C@H]1C2(F)F 1118616706 VZTLFIUUVMYOON-IAQDNRCKSA-N 398.366 -0.441 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CC1(C#N)CCOCC1 1118845482 WSWBVYQYZJXXES-RYUDHWBXSA-N 378.385 -0.609 30 10 GBEE N#C[C@]12CN(C(=O)c3ccnc(N4CCOCC4)n3)C[C@H]1CS(=O)(=O)C2 1134429197 RURGULQBDSGACI-BLLLJJGKSA-N 377.426 -0.676 30 10 GBEE C=C(Br)Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359084432 HJPAQLOPLISZGO-SNVBAGLBSA-N 383.250 -0.104 30 10 GBEE C=CCNC(=O)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1540876515 UGVKSPHIYKEYNG-FZKQIMNGSA-N 392.460 -0.456 30 10 GBEE C#CCNC(=O)CN1CCN(CCN(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1567720125 KKUOBQBGCKDLDL-JENIJYKNSA-N 376.501 -0.373 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1705897445 MNNOHGQZMXCWBT-NWDGAFQWSA-N 383.478 -0.214 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCNC(=O)C2CC2)C1 1719104087 OCVZTBYTIVXHCO-FPCVCCKLSA-N 379.457 -0.428 30 10 GBEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722685671 JMTNTPYKHBGNLW-XQQFMLRXSA-N 385.446 -0.642 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2C)CC1 1740689208 RJASIBZOELTPPN-UHFFFAOYSA-N 383.460 -0.554 30 10 GBEE C#CCCN1CCC(NC(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CC1 2204050779 SKLBUQBRMLAUQW-OWCLPIDISA-N 381.473 -0.069 30 10 GBEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(N)(C(N)=O)C3)c2)OC1(C)C 2267371178 WRMRFQTZSBCMOM-UHFFFAOYSA-N 387.292 -0.766 30 10 GBEE CC1(C)OB(c2nscc2C(=O)NCC2(O)CS(=O)(=O)C2)OC1(C)C 2267903858 IUKLRSNDZMAUSZ-UHFFFAOYSA-N 388.276 -0.668 30 10 GBEE CN1C[C@@H](NC(=O)c2nn(C)c(Cl)c2B2OC(C)(C)C(C)(C)O2)C(=O)N1 2282037998 CGIJRANEBNPYLC-MRVPVSSYSA-N 383.645 -0.552 30 10 GBEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)O1 2282313526 MHQLZAQWGLJDPC-GHMZBOCLSA-N 386.283 -0.040 30 10 GBEE CC1(C)OB(c2ccc(C(=O)NC(C(N)=O)C(N)=O)c(Cl)c2)OC1(C)C 2282822474 IVIILBQQWVJYBZ-UHFFFAOYSA-N 381.625 -0.292 30 10 GBEE CN1CC(=O)N(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1=O 2284016915 BLCBASIRZLQWKV-UHFFFAOYSA-N 381.223 -0.908 30 10 GBEE CN(CC1(O)CNC1)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2287329087 TYECEHDUTSDGFR-UHFFFAOYSA-N 382.291 -0.059 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2332402720 URCMLPGBGGACOP-GWOFURMSSA-N 392.474 -0.005 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 369647856 KPRACCHZLZNIBJ-MSUUIHNZSA-N 396.469 -0.024 30 10 GBEE C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1CCO 375299531 ZTVCBJCOSMQMEC-CYBMUJFWSA-N 383.412 -0.398 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C3CC3)C2)CC1 459886279 OKHUZPBGZWFYEU-HOCLYGCPSA-N 378.473 -0.541 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 468270146 KUIYYLJLIGFSAQ-QGZVFWFLSA-N 398.463 -0.048 30 10 GBEE 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10 GBEE C#CC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OC 1570221535 OZGPNFCUTGQSPI-CYBMUJFWSA-N 394.405 -0.228 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 1586538439 HXXXZXAPKTYNGB-ZQIUZPCESA-N 393.513 -0.024 30 10 GBEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1606607560 BKGKLCANZORRHV-CZUORRHYSA-N 383.474 -0.245 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c[nH]nc3cc2C)CC1 1622498494 LJCSKKQHLUQVSN-UHFFFAOYSA-N 397.482 -0.355 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2cc(CCC(=O)OCC)nc(C)n2)CC1 1651361494 RRMBGGNCVWGMIN-UHFFFAOYSA-N 395.485 -0.130 30 10 GBEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1655770727 NUICQMZCWZHESS-HOTUBEGUSA-N 382.364 -0.367 30 10 GBEE C[C@H](C#N)C(=O)NCCCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1687872807 NRVJAXOHZJWUTF-LTIDMASMSA-N 378.473 -0.152 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)NC)CC1 1705644608 WUXGFEQWCYITOP-UHFFFAOYSA-N 396.517 -0.084 30 10 GBEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760346986 VOOJOLZWIPTUBI-HNNXBMFYSA-N 381.440 -0.013 30 10 GBEE COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373651 GQRNZWAYLUPMBE-SECBINFHSA-N 391.276 -0.141 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@@H](O)CO)OC1(C)C 2267710306 SGRMKNXFOUSXII-SNVBAGLBSA-N 392.308 -0.395 30 10 GBEE CCn1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)nc1B1OC(C)(C)C(C)(C)O1 2282041524 YAIDBFWFGHVWHQ-SNVBAGLBSA-N 386.283 -0.391 30 10 GBEE Cn1nnc(=NS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)[nH]1 2282501201 UFMBFIKQIHKTAN-UHFFFAOYSA-N 383.214 -0.129 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@]23CCNC[C@@H]2C3)n1 2282503624 CMSQHGGROQDEQL-ZBEGNZNMSA-N 382.295 -0.250 30 10 GBEE Cc1nc(S(=O)(=O)NC[C@](C)(O)CO)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507717 LRFBIXLYZYNMOK-HNNXBMFYSA-N 389.283 -0.951 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CNC(=O)O3)c2)OC1(C)C 2282833765 JWOYDEUJUNGMRK-LLVKDONJSA-N 383.235 -0.233 30 10 GBEE 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379.486 -0.413 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1OC 1281861101 AYZMMFPVKBIYJO-LVQVYYBASA-N 379.457 -0.212 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1282748633 VLOPWOLKYKBCAR-BYNQJWBRSA-N 376.417 -0.784 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N(C)CC(=O)N1CCOCC1 1342179468 BZZUCOTYKPGDMX-CYBMUJFWSA-N 394.501 -0.467 30 10 GBEE Cn1cc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cn1 1537005773 LZMRKMKODNAXNR-MQIPJXDCSA-N 377.426 -0.830 30 10 GBEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1588158910 LMYOGYFVKNZBRD-UHFFFAOYSA-N 384.440 -0.668 30 10 GBEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(O)(CN2CCOCC2)CC1 1597312924 RGLZRIJRQODKOC-ISLYRVAYSA-N 392.456 -0.411 30 10 GBEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1C(=O)OC 1620665525 LUUYCYPVVVDQMS-BZUAXINKSA-N 394.472 -0.427 30 10 GBEE C#CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC(=O)OC(C)(C)C 1647115765 JIYCUQOCGDOKGG-UHFFFAOYSA-N 375.491 -0.339 30 10 GBEE 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C[C@@H](NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)C1(O)CNC1 2282553456 RCQSTHSRDBDUTL-SECBINFHSA-N 384.673 -0.175 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2[C@@H]3COC[C@@H]32)n1 2282840098 LDGCPPNZUPFQAE-ZSBIGDGJSA-N 383.279 -0.110 30 10 GBEE C[C@H]1C[C@@H](CN)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282841682 WUGSLJQEAQXXCR-QWRGUYRKSA-N 385.299 -0.528 30 10 GBEE CN(C[C@@H]1CCNC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282843639 QJYAYCRZJFTTTJ-GFCCVEGCSA-N 384.311 -0.051 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)CCCN 2282849183 XNTKZSZUUBLRDL-UHFFFAOYSA-N 388.299 -0.949 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1COCCO1 2282858436 XASISBVSHATTAZ-LLVKDONJSA-N 387.267 -0.587 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@]3(CN)C2)n1 2288260037 HKVXOSZJZLOHQI-ZBEGNZNMSA-N 382.295 -0.311 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2C[C@H](O)[C@H](O)[C@H](CO)C2)OC1(C)C 2289396075 BNYKLJAVMVTSGP-JBLDHEPKSA-N 384.263 -0.772 30 10 GBEE CN([C@@H]1CNC[C@@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2369652041 IGHGGFCPHVYREH-WDEREUQCSA-N 388.274 -0.350 30 10 GBEE CN1CCN(C(=O)CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 546928994 DNGCZZCZBQXTIJ-UHFFFAOYSA-N 385.472 -0.051 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1 810809633 QQVRQAUJIIUNIL-CYBMUJFWSA-N 378.410 -0.110 30 10 GBEE CN1CCn2ncc(C(=O)NCCNc3ncccc3C#N)c2S1(=O)=O 1136424250 REDNBOFABHVGDL-UHFFFAOYSA-N 375.414 -0.374 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NC2CCN(C(=O)CCCNC)CC2)C1 1261636197 BEJJJSYIXZQZBC-INIZCTEOSA-N 380.489 -0.103 30 10 GBEE CN1CCN(Cc2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)CC1 1301210618 BAOWZAMBDABBAL-UHFFFAOYSA-N 396.451 -0.002 30 10 GBEE CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 1321927248 LCZTUPJDSSKCLN-CYBMUJFWSA-N 382.417 -0.146 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)C1CCN(C)CC1 1335164739 VZPOELSMFDFKLU-OAHLLOKOSA-N 398.529 -0.670 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 1336132649 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387.437 -0.107 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1719907916 LGRRTEMYBVJMSF-OAGGEKHMSA-N 378.473 -0.399 30 10 GBEE N#CCC(=O)N1CC[C@@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1854198312 PVLCMNXMZOIATD-OAHLLOKOSA-N 382.486 -0.388 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)[C@H](O)C1 2237867573 DKDSGZIDYVELMA-QIZIZJAASA-N 381.429 -0.140 30 10 GBEE CC[S@](C)(=O)=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2255950905 WCQUVQKFEVERGO-QHCPKHFHSA-N 378.285 -0.079 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1NC[C@H](O)[C@H]1O 2282054450 QTCOEUBPAXXCFY-OBJOEFQTSA-N 382.291 -0.221 30 10 GBEE CN1C[C@@H]2C[C@H](C1)N2S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282336440 DECLFRQXOIDLHC-TXEJJXNPSA-N 382.295 -0.204 30 10 GBEE CN(C)C[C@@H](O)CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282411003 ZSVZOOBQWKVODO-ZDUSSCGKSA-N 385.295 -0.418 30 10 GBEE CNS(=O)(=O)CCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2282566793 DRUSAVVWBXAOAP-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2NCC[C@@H]2C1 2282853723 HYABPGBLEMTVNS-VXGBXAGGSA-N 382.295 -0.298 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1NC[C@@H]2C[C@H]12 2359273624 KWOGJFAYKKGYEM-SDDRHHMPSA-N 382.295 -0.395 30 10 GBEE CCN(CC)C[C@H](C)/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 330485063 ZHWLTMKJLLHVKW-HNNXBMFYSA-N 391.538 -0.175 30 10 GBEE Cn1c(N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c(C#N)c(=O)n(C)c1=O 416449410 VOHZLHASYFXAMG-ZIAGYGMSSA-N 397.391 -0.206 30 10 GBEE Cc1ncc(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)O)CC3=O)C2)cc1C#N 562373628 OMXQYBAZJOEBOH-STQMWFEESA-N 378.410 -0.042 30 10 GBEE CC#CC[C@H](CO)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 649187169 LCELTVBOFLGDLD-QXSJWSMHSA-N 384.498 -0.013 30 10 GBEE C=CCOCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 668834790 SIZVOQJOIPNIIM-UHFFFAOYSA-N 379.504 -0.810 30 10 GBEE C=CCn1c(Cc2ccccc2O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 669022050 FBFFLNVPYXRYIT-CQSZACIVSA-N 382.424 -0.093 30 10 GBEE Cn1cc(S(=O)(=O)NN=C2CCCC[C@H]2[C@@H]2CCOC2)c(=O)n(C)c1=O 814883408 MRARHXXSFYZKOH-NEPJUHHUSA-N 384.458 -0.055 30 10 GBEE C#CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(=O)OC(C)(C)C 852428573 NVGOPLMAALPFQL-UHFFFAOYSA-N 375.429 -0.289 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)C1CCN(C)CC1 910885786 NGVHDQZBJLJWFB-UHFFFAOYSA-N 397.479 -0.078 30 10 GBEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C)CS(=O)(=O)CC)c1cc[nH]n1 1146841812 ZQJMVAXBXVECJQ-LLVKDONJSA-N 388.446 -0.025 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(C)(=O)=O)CC1 1286471842 RWHPARYLQCFUSQ-UHFFFAOYSA-N 394.501 -0.686 30 10 GBEE CN(C[C@@H]1CCCOC1)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1331449192 YOMYGDJTPIWVIG-NSHDSACASA-N 375.385 -0.911 30 10 GBEE C#CCN(c1nnc(C[C@H]2SCCNC2=O)n1CC)[C@@H]1CCS(=O)(=O)C1 1352821849 YPHVMWICOOZACI-CHWSQXEVSA-N 397.526 -0.301 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccoc3)no2)CC1 1455115279 MWPFMMUYKUFGPM-UHFFFAOYSA-N 393.425 -0.126 30 10 GBEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540872112 CYKDURMAFWWMRJ-GFCCVEGCSA-N 387.448 -0.325 30 10 GBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1574470086 WGNWPSQKTKCYSC-UPJWGTAASA-N 376.417 -0.782 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)S(=O)(=O)CC 1587979214 KNSGRRFWPPACQJ-ZDUSSCGKSA-N 382.490 -0.030 30 10 GBEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)c1 1595700544 YGEKHAFNTSAJHH-SNVBAGLBSA-N 381.385 -0.554 30 10 GBEE CN1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(=O)N1 1623963057 CSLPZISATGCKLU-HNNXBMFYSA-N 391.453 -0.580 30 10 GBEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1633089501 VZLFNYLBYQMLJA-JKOKRWQUSA-N 385.467 -0.083 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C(=O)OC)CCOC2)c1 1637807794 XYHLEMZPHFXZDM-QGZVFWFLSA-N 380.422 -0.092 30 10 GBEE CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)N(CCC#N)CCC#N 1642563544 DBPALLBIBLBIEM-CQSZACIVSA-N 379.417 -0.978 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCCC2)c1 1652864139 CGRJEICVYJCXEU-UHFFFAOYSA-N 399.494 -0.247 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(C)(=O)=O 1690059457 QEYSCHWFBUOFHS-LLVKDONJSA-N 377.492 -0.608 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 1705890819 JNJYQTSXWDMITL-VXGBXAGGSA-N 384.462 -0.891 30 10 GBEE Cc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742805710 CTPUSBYROMQVJA-WBYGGXTKSA-N 385.428 -0.171 30 10 GBEE CS(=O)(=O)CCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1750209549 URNSRJBJYFATOY-ZIAGYGMSSA-N 399.473 -0.080 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1757745317 SMRUVHSHDYXARZ-KBXIAJHMSA-N 377.445 -0.189 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1760217914 QXORWCUSPNCGEH-MRXNPFEDSA-N 398.467 -0.059 30 10 GBEE CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)N3CC(C#N)C3)CC2)C1 1971286491 HDJZDPNMENUZQS-UHFFFAOYSA-N 385.490 -0.077 30 10 GBEE C=C(CS(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2255953053 CFWMXQCXXTZCPT-LLVKDONJSA-N 380.297 -0.133 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@]2(O)C[C@H]2C1 2282340897 LFPLMAJJPCMDMU-MEDUHNTESA-N 383.279 -0.135 30 10 GBEE CNC(=O)C[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282347023 RSOKSJZGBJGCSU-SNVBAGLBSA-N 386.283 -0.478 30 10 GBEE C[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505042 XQXQTZWQWARGFX-YPMHNXCESA-N 384.311 -0.004 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CCOC[C@@H]2[C@H](O)CO)OC1(C)C 2282511537 CHIZLHUGMSZNDV-GHMZBOCLSA-N 384.263 -0.364 30 10 GBEE CC1(C)OB(c2cscc2C(=O)N2CCNC(=O)[C@@H]2C(N)=O)OC1(C)C 2282515377 QSAGMVODNGOWFW-NSHDSACASA-N 379.247 -0.527 30 10 GBEE CN(CCNS(C)(=O)=O)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282528032 LQKGPOFQXOSROW-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE CNS(=O)(=O)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2282552149 OGWGYSUDXOIMED-UHFFFAOYSA-N 387.242 -0.201 30 10 GBEE CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282846772 OHGAFOFRNMDTMF-GHMZBOCLSA-N 386.283 -0.040 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@H]2[C@@H](O)C[C@H]21 2282849777 GVQSVCVYAVTNNN-UHTWSYAYSA-N 383.279 -0.137 30 10 GBEE Cn1nncc1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282860498 BGCBLVYPHYEKQL-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE C[C@H]1C[C@H]1N(CCO)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282867726 COODYCDLRGBGJA-WDEREUQCSA-N 386.283 -0.494 30 10 GBEE CN(C1(C(=O)O)CC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2284409725 MTEUOLPPMYXSJR-UHFFFAOYSA-N 385.251 -0.043 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)C1 2368804697 FYTIQDXHXHGLLK-MJBXVCDLSA-N 398.485 -0.171 30 10 GBEE N#C[C@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCN1C1CC1 369220886 UVDWHIUEORFJDR-JKSUJKDBSA-N 399.517 -0.143 30 10 GBEE CCOC(=O)CON=C(C(=O)NCCc1nnc2n1CCCC2)c1cc[nH]n1 772546572 ZCOMSSIOUVSHSN-UHFFFAOYSA-N 389.416 -0.020 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 854764905 CFTVPZCEYZBDLB-NWDGAFQWSA-N 384.410 -0.280 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)c1cc[nH]n1 855703070 NJLGCPCANDFNGI-GHMZBOCLSA-N 386.430 -0.225 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)CC1 932986621 YUJDDLMQRNTKBL-RYUDHWBXSA-N 398.407 -0.251 30 10 GBEE COc1cccc(CNC(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1C 1118837614 JTJYHHGLWANOEN-UHFFFAOYSA-N 397.391 -0.163 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCS(=O)(=O)C1 1119904112 NEJFHVVBBNSKEG-WOPDTQHZSA-N 396.387 -0.139 30 10 GBEE N#Cc1cn(CC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c(=O)nc1O 1146889257 UUHBSDKNOAQZIT-UHFFFAOYSA-N 377.298 -0.135 30 10 GBEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCCOc2ccccc2F)c1=O 1189745210 BGHSAWPNPYSRHY-UHFFFAOYSA-N 390.371 -0.402 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 1261807321 QRUUSPXQKLITTQ-MRXNPFEDSA-N 376.457 -0.555 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1326509984 MAXPLEZPPFMYAL-CABCVRRESA-N 379.438 -0.304 30 10 GBEE COCCNC(=O)CN1CCN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)CC1 1326594109 GBYWSLHPHDFHSA-UHFFFAOYSA-N 399.451 -0.693 30 10 GBEE N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCc2cc(Cl)nnc2C1 1326888423 QLIFCPHEDSWHPU-UHFFFAOYSA-N 393.878 -0.349 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n1 1330146574 COYQRXGRMZRDHC-HUUCEWRRSA-N 392.481 -0.242 30 10 GBEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c(F)c1 1337194810 XAITZDDTSISXGU-SNVBAGLBSA-N 384.364 -0.755 30 10 GBEE C=CCn1c([C@H]2NC(=O)N(C)C2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1339918424 QMHZIDJFYUERFC-ZIAGYGMSSA-N 389.460 -0.012 30 10 GBEE N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)CC2 1484017166 XAHJTSNZMQHARM-IQWQSGHPSA-N 376.457 -0.257 30 10 GBEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cn1 1517367193 CTAKDYAWIFEDTF-AWEZNQCLSA-N 382.425 -0.330 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1540869183 DXNRLYIJYVNYHS-LBPRGKRZSA-N 391.432 -0.580 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nnc(C(F)F)o2)CC1 1643372205 AURKJVGJPZYCDD-UHFFFAOYSA-N 377.373 -0.448 30 10 GBEE C#CCN(CC(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)C(=O)OC(C)(C)C 1650792640 OQKKLMQFZLRCHG-OXHZDVMGSA-N 375.381 -0.174 30 10 GBEE CS(=O)(=O)c1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1654888914 LKLYYBIFEUDQIC-LRDDRELGSA-N 397.478 -0.101 30 10 GBEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCOCC1 1869931703 FNJRZIBSQZLDDJ-AWEZNQCLSA-N 380.470 -0.048 30 10 GBEE C[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[S@](C)=O 2267357486 AQRROYQPXAPXSI-ITSYKEIMSA-N 392.312 -0.840 30 10 GBEE Cn1nc(C(=O)N2C[C@@H](O)C[C@H](O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282035975 CBNXYTCHCNRRQH-UWVGGRQHSA-N 385.657 -0.060 30 10 GBEE CC1(C)OB(c2ccsc2C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)OC1(C)C 2282209966 ZSBGMRDECSKDSS-JHEVNIALSA-N 383.275 -0.120 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@H]1CO 2282335682 SRZLUIRHEVDSAX-RYUDHWBXSA-N 385.295 -0.032 30 10 GBEE 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30 10 GBEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCCN(C(=O)CNC(C)=O)CC1 1331553196 LJXIBBVIVMTLTC-UHFFFAOYSA-N 387.448 -0.566 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 1333848521 YKLAWHJPIMACCP-HZPDHXFCSA-N 399.513 -0.147 30 10 GBEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(C)CCC(=O)NC1 1520284744 TXDPVNCVKJBSGN-SFHVURJKSA-N 376.461 -0.073 30 10 GBEE C#CC[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OC 1558994168 QCXXRHDVKUKHIY-NSHDSACASA-N 387.396 -0.328 30 10 GBEE N#Cc1cn(CCO)c(=O)n(CC(=O)NCCc2c(F)cccc2F)c1=O 1559441058 UBOSUMQZNNRWDS-UHFFFAOYSA-N 378.335 -0.489 30 10 GBEE C#CCN(c1nnc(C)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588035675 WTEYPXQZPVDWOK-ZBFHGGJFSA-N 381.502 -0.066 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cc[nH]n1 1588224162 RFPJBXVWNGKBKK-CQSZACIVSA-N 394.439 -0.155 30 10 GBEE CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1665475345 CZUVGQAMVIFHBA-NBOOPKSLSA-N 378.473 -0.009 30 10 GBEE 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N#C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)C[C@H]1CS(=O)(=O)C2 1611159375 LJDWYVXWJWYUIO-NRUUGDAUSA-N 379.360 -0.206 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(-c3cnn(C)c3)c2)CC1 1636480857 YAQVCNZQWVWTOZ-UHFFFAOYSA-N 388.453 -0.293 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCN2CCCCC2=O)CC1 1677219244 FNXGPNYGEGWIFP-UHFFFAOYSA-N 385.490 -0.816 30 10 GBEE N#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1700331473 WEWQQSHMLOMXGX-OAGGEKHMSA-N 376.457 -0.113 30 10 GBEE C=CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1 1704941658 DHNSAMICPLIEFY-KNCOVGOOSA-N 377.445 -0.124 30 10 GBEE Cc1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726371128 SARYTEOQPUCVQB-UXCNFHJLSA-N 385.428 -0.172 30 10 GBEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1772786046 NDEMOTZJIPJLDT-QWRGUYRKSA-N 392.389 -0.224 30 10 GBEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3CN4CCN3CC4)CC2)CC1 1889363360 NUFHWHUWOGRTRP-FQEVSTJZSA-N 389.544 -0.755 30 10 GBEE CS(=O)(=O)c1ncc(Br)c(C(=O)N[C@H](CS)C(=O)O)n1 2175931413 DNQSZXIEIPVQEL-RXMQYKEDSA-N 384.233 -0.245 30 10 GBEE C=C(CS(=O)(=O)N1CC2(C1)OC[C@H](O)[C@@H]2O)B1OC(C)(C)C(C)(C)O1 2267728720 YZSZESFLOSRXCM-RYUDHWBXSA-N 375.252 -0.690 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2COC[C@H]2S(C)(=O)=O)OC1(C)C 2281925990 JGJKZKNHRNNTBR-WDEREUQCSA-N 385.251 -0.749 30 10 GBEE C[C@@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CS(=O)(=O)C1 2282037293 TZZGEHOTGBUDQY-SNVBAGLBSA-N 383.279 -0.118 30 10 GBEE CCN(CC(=O)OC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282297306 JWMFCNWBJLKBEY-UHFFFAOYSA-N 388.255 -0.702 30 10 GBEE CO[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H]1N 2282341315 QJPHUZKWBSHJOK-RYUDHWBXSA-N 386.283 -0.934 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC1CC(F)(CN)C1 2282425406 PGJLAXJRTBHBLZ-UHFFFAOYSA-N 388.274 -0.173 30 10 GBEE CCCN(CC(N)=O)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282833753 JUHLTBXSXYTQHE-UHFFFAOYSA-N 386.283 -0.395 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC3(CC[C@H]3O)C2)n1 2282842630 AVLDYSAKQRFBRW-GFCCVEGCSA-N 383.279 -0.135 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCOC[C@H]1N 2282855165 AMZVNNZLSSYSJJ-MNOVXSKESA-N 386.283 -0.886 30 10 GBEE CO[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)[C@H]1C 2282860923 IEUDBINYAKNMBJ-WDEREUQCSA-N 386.283 -0.088 30 10 GBEE Cn1nc(C(=O)N[C@@H](CCO)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2284439113 RPVUXSKUCRDDJE-QMMMGPOBSA-N 387.629 -0.062 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](C1)[C@H]2O 2286229955 VBGHQABTTYTRRV-JGPRNRPPSA-N 384.267 -0.884 30 10 GBEE C[C@]1(O)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349542074 MMUSMBHSWQEYMZ-UPJWGTAASA-N 397.544 -0.520 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCN1C1CC1 360435435 FSABYENKCDUFRF-OAHLLOKOSA-N 398.510 -0.033 30 10 GBEE C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)N1CCO[C@H](C#N)C1 409505722 YQWZDHWPPWIOCF-TZMCWYRMSA-N 377.426 -0.156 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 459890191 WNVWXSJYWMIODA-HOTGVXAUSA-N 378.473 -0.682 30 10 GBEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC(O)(CC#N)C2)CC1 476818050 DOXZOSPYITYMBV-UHFFFAOYSA-N 381.458 -0.086 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 503683277 WCTAJNBNLHJQCY-FVQBIDKESA-N 378.473 -0.638 30 10 GBEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@@H]12 595185523 QVJDRYLKVQTQMT-YUTCNCBUSA-N 381.385 -0.094 30 10 GBEE Cc1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1S(=O)(=O)NCC#N 597617447 OEKCQUPMWDHMOQ-HNNXBMFYSA-N 396.469 -0.780 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)N2CCN(C)CC2)CC1 604166445 VXEFSKARUZJFQI-UHFFFAOYSA-N 380.537 -0.358 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 676098850 XMIRYZMOWBRVOO-UHFFFAOYSA-N 397.439 -0.348 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 875604108 IXSDLAAEQXBXIM-HRBLRVMOSA-N 376.501 -0.090 30 10 GBEE Cn1cc(/C=C\C(=O)NS(=O)(=O)Cc2ccccc2C#N)c(=O)n(C)c1=O 916178034 HZYNWILGIYWXFG-FPLPWBNLSA-N 388.405 -0.385 30 10 GBEE C[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCN1S(C)(=O)=O 1117219389 FYDCEKXMDJTFRL-NSHDSACASA-N 382.417 -0.194 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1118115600 BXPIGYZNJHJJKX-WFASDCNBSA-N 391.428 -0.065 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)C1=O 1128963039 IKWWXKSCWIDXBG-WCQYABFASA-N 375.385 -0.267 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 1215093914 HYENKSMZHTUUSH-UHFFFAOYSA-N 393.425 -0.251 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1OC 1281836763 COILJYUROMAMOF-NHIYQJMISA-N 388.486 -0.256 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1297994108 RRJOLGOUSCHQMP-INIZCTEOSA-N 385.463 -0.237 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318721846 DAXWIPLNVCHTEI-HNENSFHCSA-N 387.440 -0.813 30 10 GBEE N#CC1(C[C@@H](O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCOCC1 1351372468 NFSYLDZMJCGSAM-OAHLLOKOSA-N 392.456 -0.649 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2COCCO2)CC1 1507716869 VHNPJRDRDLVYOA-MRXNPFEDSA-N 388.472 -0.315 30 10 GBEE C=C[C@@H](O)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCOC 1523599932 VGONLPBMOCVKEV-UKRRQHHQSA-N 378.477 -0.067 30 10 GBEE C=CCn1cc(CNC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)nn1 1564958385 QSMIMDMEJKVFIT-QGZVFWFLSA-N 378.433 -0.377 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nc(CC)ncc2C(=O)OCC)CC1 1651364122 PITOHOCJAZLGTP-UHFFFAOYSA-N 381.458 -0.195 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CS(=O)(=O)NC 1719516410 VPUNKPHKJJJAFJ-BARDWOONSA-N 387.502 -0.130 30 10 GBEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2255800306 RMXXETUGCVEKIB-MRVPVSSYSA-N 375.281 -0.265 30 10 GBEE C=C(CS(=O)(=O)N[C@H]1COC[C@@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2267469619 YLFZGONIMTWUMS-RYUDHWBXSA-N 395.308 -0.095 30 10 GBEE CC(=O)NCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267708512 KZNOXZKECVAFJA-UHFFFAOYSA-N 389.308 -0.002 30 10 GBEE C[C@H]1[C@@H](NC(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2281952209 TUOWCBYQCSHILU-UWVGGRQHSA-N 384.267 -0.580 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@]12CC[C@@H]1CNC2 2282303995 DOTAIZXGDBGINC-MEBBXXQBSA-N 383.283 -0.855 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CN 2282336905 HUMWPZLLIZQLOG-WDEREUQCSA-N 388.274 -0.221 30 10 GBEE Cc1nc(=NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)n(C)[nH]1 2282421189 KUWMCIHQSZGWFQ-UHFFFAOYSA-N 382.255 -0.621 30 10 GBEE COC[C@@H](O)CCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282507097 BSTHUWRZBVGYAP-NSHDSACASA-N 389.283 -0.605 30 10 GBEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CS(N)(=O)=O)n1 2282594683 JOHHXCQQPXNUNS-SNVBAGLBSA-N 386.283 -0.391 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@]23CNC[C@@H]2C3)n1 2282836838 PTIVOPKCIBONBW-ZBEGNZNMSA-N 382.295 -0.393 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCO[C@H](CO)C2)n1 2282839636 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IQUMORNDRNGJBQ-OLZOCXBDSA-N 377.401 0.304 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 539500403 HLPKXQIZINEURO-UHFFFAOYSA-N 375.414 -0.854 30 10 GBEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)cc1 566202207 OVIRUJHUDJPFOJ-UHFFFAOYSA-N 394.453 -0.235 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)CC(=O)N1 566489163 WTJNZMDDDBKQBY-NSHDSACASA-N 386.455 -0.660 30 10 GBEE N#C[C@@H]1CSCCN1S(=O)(=O)c1cccc(S(=O)(=O)NCCO)c1 583273911 GHRPALAPAORAII-LLVKDONJSA-N 391.496 -0.413 30 10 GBEE CO[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCOC1 595132745 WCFNQWQEHKJPNW-CVEARBPZSA-N 387.440 -0.230 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(C(=O)O)CCC3)CC2)c1C#N 595276714 VIKSMGFQWIXBDP-UHFFFAOYSA-N 388.428 -0.380 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)C1=O 600436733 PKSIYZBPGITAKL-RYUDHWBXSA-N 381.385 -0.562 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 815557279 PZZKOJKNJBPGMH-UHFFFAOYSA-N 377.426 -0.018 30 10 GBEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)CC2)nc1 1118284372 DTAXWGLQCMLMGE-LSXCKUSFSA-N 387.465 -0.230 30 10 GBEE CN(CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)[C@@H]1CCS(=O)(=O)C1 1151224287 GRKGRZYIXOMSFU-LLVKDONJSA-N 382.446 -0.825 30 10 GBEE N#C[C@H]1CN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CCN1C1CC1 1261916364 QBJACNMZHQXJAG-HNNXBMFYSA-N 385.472 -0.138 30 10 GBEE COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1301447615 CQLCBJRKSHOXIB-XNJGSVPQSA-N 378.433 -0.255 30 10 GBEE CC(C)(CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)S(C)(=O)=O 1323782178 SFTQHUJZCAZZON-UHFFFAOYSA-N 393.469 -0.459 30 10 GBEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 1332802468 IADYTNKTDVWOGQ-CVEARBPZSA-N 387.440 -0.030 30 10 GBEE C=CCn1c(C2CCN(C)CC2)nnc1N1CCN2[C@H](CNS2(=O)=O)C1 1340599605 HEXAZGHPZWKRLP-CQSZACIVSA-N 381.506 -0.388 30 10 GBEE C=CCCn1cc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1501536146 DSZBIEBFPVQLAU-GHJPUPADSA-N 375.429 -0.516 30 10 GBEE 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CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 595763287 OXXGGYVBTTXHCF-HZPDHXFCSA-N 385.534 -0.356 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1S(=O)(=O)c1ccc(C#N)cc1 598621336 KRRFTNJROQAXAN-AAEUAGOBSA-N 392.393 -0.585 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 645035964 JXNAPCMTYNRWGP-KBPBESRZSA-N 378.429 -0.420 30 10 GBEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 795102438 DYLQORNKWHHXFG-HNNXBMFYSA-N 390.531 -0.340 30 10 GBEE CN(C)S(=O)(=O)N1CCCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 811863581 VYTKYIXGOCVLSD-UHFFFAOYSA-N 395.489 -0.111 30 10 GBEE C#CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)OC(C)(C)C 852430117 BKIXBXBFLXSKAE-LBPRGKRZSA-N 387.458 -0.724 30 10 GBEE N#C[C@@]12CN(C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)C[C@H]1CS(=O)(=O)C2 1134053074 RNELMHRTYYMYQD-FLTUCWPJSA-N 393.465 -0.052 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)C1=O 1134715009 YULWSCDYFOXZLV-QZTJIDSGSA-N 395.412 -0.218 30 10 GBEE 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C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-n3ccnc3)ccc2O)CC1 1588199779 ZYNYLFOOWDSPAB-UHFFFAOYSA-N 389.437 -0.197 30 10 GBEE C[C@@H]1C/C(=C/CO)C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O 1615974668 DJXQRYTVVBNRKB-MEHPRKPCSA-N 381.425 -0.018 30 10 GBEE N#C[C@@]12CN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1626655265 AYCOKBLXOJQTKZ-SGTLLEGYSA-N 399.432 -0.018 30 10 GBEE Cn1cnnc1[C@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1629976195 AYOQBNVSZDXVEH-NSHDSACASA-N 378.414 -0.907 30 10 GBEE COC(=O)[C@@]1(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 1643516436 IUQWTCSZACZJOZ-BDJLRTHQSA-N 381.410 -0.639 30 10 GBEE CN1CC(=O)N(CC(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CSCC#N)C1=O 1719874983 NGIQJLLBZBQYPK-UTUOFQBUSA-N 379.442 -0.615 30 10 GBEE CCc1nnc(N(C)CCC(=O)NC)n1CCN/C(O)=C1/N=CC=CC1=O 1764731439 GDJHFZFSSJOXQC-NXVVXOECSA-N 375.433 -0.061 30 10 GBEE C#CCS(=O)(=O)CCNC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 1852462124 PPOFRTWNVAOXEM-UHFFFAOYSA-N 384.479 -0.301 30 10 GBEE 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C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1690670795 IZGHHCQIRHDNSQ-AWEZNQCLSA-N 391.476 -0.064 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1 1702359868 ITDFSGINDFPGLY-KBXIAJHMSA-N 379.413 -0.105 30 10 GBEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1705627829 QQIRXFDUFRCIBG-RRFJBIMHSA-N 377.445 -0.145 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1OC 1719247700 BSQYXDWFGOSDGI-WISYIIOYSA-N 375.372 -0.699 30 10 GBEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1722419016 LGCXGFBTVMNPBR-SFHVURJKSA-N 377.445 -0.249 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@H]1O 1735784464 QXGOECRLOZJEDF-VQHPVUNQSA-N 393.484 -0.038 30 10 GBEE C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCS(C)(=O)=O)nn1 1740288419 PBYNGZADMXETHA-DYEKYZERSA-N 381.458 -0.240 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nncn1C 1757724605 KZYGWBCRAWWYBM-KBXIAJHMSA-N 375.429 -0.382 30 10 GBEE 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396.451 -0.081 30 10 GBEE C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 561715462 AQQLVGQOJKUXKL-GOEBONIOSA-N 387.440 -0.088 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)C1=O 569149289 AILDRTVACOAMER-GFCCVEGCSA-N 385.442 -0.221 30 10 GBEE N#CC1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCCC1 597401773 YYLJWIMLVIELHP-UHFFFAOYSA-N 389.456 -0.474 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 658448199 CZBVZJVGMLFGET-UHFFFAOYSA-N 387.444 -0.279 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCCC2)CC1 672695769 HVNIYZOMUMBNKW-INIZCTEOSA-N 379.505 -0.577 30 10 GBEE Cn1ccnc1CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787754111 KXCORSJDMLFQRE-UHFFFAOYSA-N 396.455 -0.441 30 10 GBEE C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 807463491 IUCUSZKPLFNNIU-OAHLLOKOSA-N 378.454 -0.007 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC1 839224958 JWVVTIUMRMCYTP-MRXNPFEDSA-N 385.468 -0.156 30 10 GBEE 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N#Cc1cn(C2CN(C(=O)N[C@@H]3CCOC34CCOCC4)C2)c(=O)nc1O 1638932883 ATJCXDUVCMYQNP-CYBMUJFWSA-N 375.385 -0.275 30 10 GBEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1 1639817660 VJCHQXORVWHNJC-LBPRGKRZSA-N 387.483 -0.099 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 1679909716 ROFKQGIZPNUDTK-ZDUSSCGKSA-N 385.490 -0.819 30 10 GBEE CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1729740081 AZCYSKFLALYMFU-QWHCGFSZSA-N 384.462 -0.202 30 10 GBEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CC1 1741803944 UWCOPFKWWYWDCP-CHWSQXEVSA-N 398.489 -0.126 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC4(C3)OC[C@@H](O)[C@@H]4O)cs2)OC1(C)C 2282202504 DSEOAFRCFZJIOE-YPMHNXCESA-N 381.259 -0.006 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1COC2CC1C2 2282292541 XAMNFHMCSLOBTH-VQXHTEKXSA-N 384.267 -0.430 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCS(=O)(=O)C1 2282694443 UAVMSGVZZUYREK-JTQLQIEISA-N 384.267 -0.579 30 10 GBEE Cc1nc(=NS(=O)(=O)c2nc(C)n(C)c2B2OC(C)(C)C(C)(C)O2)o[nH]1 2282882656 OYUUUNMICYQMBP-UHFFFAOYSA-N 383.239 -0.058 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)N=c2nc(CCN)[nH]s2)OC1(C)C 2283062592 TZEFYDBUPDHYQA-UHFFFAOYSA-N 376.251 -0.197 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H](C)C(=O)O 2284408819 BRQSMRNSFSWALN-BDAKNGLRSA-N 388.255 -0.498 30 10 GBEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)COC[C@@H]1NC(=O)OC(C)(C)C 2342065850 FYOPVRHWMZVPOB-IGCXYCKISA-N 388.486 -0.190 30 10 GBEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCS(=O)(=O)C1 2362456372 GOZQLBFHDBDTSA-LLVKDONJSA-N 383.279 -0.116 30 10 GBEE Cn1nccc1[C@H]1[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC(=O)N1C1CC1 284561643 FZDJQAPGSOFTHS-IUODEOHRSA-N 383.412 -0.394 30 10 GBEE CC(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 297885895 QGIRUQULFWIGBF-UHFFFAOYSA-N 398.467 -0.071 30 10 GBEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2cc(OC)ncn2)CC1 409503199 QFDCARGENZCYOZ-UHFFFAOYSA-N 384.462 -0.286 30 10 GBEE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 422132804 HZPZUABEFGXXIR-IRXDYDNUSA-N 383.452 -0.183 30 10 GBEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1F 433878037 OOKUHXLNHHDTEG-CYBMUJFWSA-N 375.360 -0.511 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C3CCOCC3)C2)CC1 459879998 AMQKZNFFDAJGAG-KRWDZBQOSA-N 392.500 -0.292 30 10 GBEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)N3CCNCC3)CC2)cc1C#N 528047792 OAENAJDUPRXNFA-UHFFFAOYSA-N 378.458 -0.407 30 10 GBEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 581559101 MSGHMCGKJPHVFC-LLVKDONJSA-N 387.439 -0.328 30 10 GBEE Cc1nn(C)c(N2CCN(C(=S)NCCN3CCOCC3)CC2)c1C#N 788282198 JKVFMTUNENOILE-UHFFFAOYSA-N 377.518 -0.071 30 10 GBEE C#C[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 854776171 AZFPAZVABUPTJT-AWEZNQCLSA-N 397.428 -0.598 30 10 GBEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 861997077 GYOWYETZVQFKMK-ZDUSSCGKSA-N 392.387 -0.067 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)C3)c1=O 872823684 YCUDWOLOSBOOJS-MJBXVCDLSA-N 376.413 -0.473 30 10 GBEE C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@]34COC[C@@H]3C4)[C@H](OC)C2)nn1 942088776 SMGIMEGGSHTBFU-OJIVJNGMSA-N 375.429 -0.154 30 10 GBEE C#CCN(C(=O)C(=O)NC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@H]1CCS(=O)(=O)C1 1119904110 NEJFHVVBBNSKEG-SDDRHHMPSA-N 396.387 -0.139 30 10 GBEE N#Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCN(C(=O)N3CCOCC3)CC1)C2 1261558072 WFDGZPZFKAVOAI-UHFFFAOYSA-N 397.435 -0.003 30 10 GBEE CN1CCC(C#N)(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1267211393 AOSDFMISRBDMPZ-LBPRGKRZSA-N 381.458 -0.744 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)CC 1286397422 NSOFJNMEPNCFIN-CYBMUJFWSA-N 380.474 -0.561 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301497660 ZQQMVFIOLDWLDZ-SFHVURJKSA-N 384.444 0.000 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CNC(CO)(CO)C(F)(F)F)CC2)o1 1307946528 OHADNVDNVUALSH-UHFFFAOYSA-N 391.350 -0.621 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC(=O)N2CCCCC2)n1 1326403721 JVTGOYSORPOOIX-UHFFFAOYSA-N 389.456 -0.380 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1341048978 AOEQPILSALCLDL-YJNKXOJESA-N 385.486 -0.424 30 10 GBEE C#CCNC(=O)CC(=O)N(CC)CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1352292335 RURMRVDRFKHGPT-RLFYNMQTSA-N 379.457 -0.468 30 10 GBEE CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 1352330180 NYUHSKHSLDAAOF-HNNXBMFYSA-N 375.473 -0.050 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2ccnn2)CC1 1507715424 ASADYDNFHHVJJY-UHFFFAOYSA-N 385.476 -0.147 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2([C@@H]3CCCCO3)CCCO2)CC1 1528712567 KRKALIWLYJZAOD-RDJZCZTQSA-N 385.486 -0.284 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC1 1588199013 FGJJPXPSCWIINZ-UHFFFAOYSA-N 376.442 -0.359 30 10 GBEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 1593636132 HLTNYSYHKQWGOV-STQMWFEESA-N 398.489 -0.501 30 10 GBEE C=CCS(=O)(=O)CCNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1623722530 ZQCIAQBSMODPKC-PWSUYJOCSA-N 396.512 -0.507 30 10 GBEE C#CC1(O)CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1655172603 LHKOCIUBLWPDAQ-AWEZNQCLSA-N 379.482 -0.159 30 10 GBEE C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1686004221 ICDKQMDQTUETHU-RDBSUJKOSA-N 376.413 -0.784 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)CCS(C)(=O)=O 1760524167 QNGCPVNBBAICSN-CYBMUJFWSA-N 385.490 -0.045 30 10 GBEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1768528912 GYZWFNRAGPAWJR-ZDUSSCGKSA-N 395.489 -0.139 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)C3CC3)C(C)(C)C2=O)CC1=O 1854714977 XOJFCUVTETXFJQ-LBPRGKRZSA-N 383.470 -0.038 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CC3(C2)OC[C@@H](O)[C@H]3O)OC1(C)C 2282019157 HQKNXZFEPQURCJ-ZYHUDNBSSA-N 382.247 -0.611 30 10 GBEE CN(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282040496 JZCNXHNWOLKJAG-UHFFFAOYSA-N 386.283 -0.660 30 10 GBEE CC1(C)OB(c2ccc(F)c(C(=O)NCCNS(N)(=O)=O)c2)OC1(C)C 2282150153 IDTRVDUMFMYTLE-UHFFFAOYSA-N 387.242 -0.352 30 10 GBEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H]3CNC[C@@H]3S(C)(=O)=O)c2)OC1(C)C 2282199331 IBHFAWAZSUABRD-STQMWFEESA-N 383.279 -0.571 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCOC[C@@H]3O)c2)OC1(C)C 2282300292 DFRPHRQCDLPKGS-KBPBESRZSA-N 384.263 -0.191 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@]1(C)CCN1 2282319422 SRPNCERVOUUBKA-OAHLLOKOSA-N 385.299 -0.465 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C(N)=O)CCC1 2282330380 YUBHGTAWDQGZDQ-UHFFFAOYSA-N 384.267 -0.594 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1n[nH]c(CN)n1 2282330982 IFWOIVUYQJYSSM-UHFFFAOYSA-N 383.243 -0.903 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(CCN)CCN 2282332878 HOGOMHIOMZXUJX-UHFFFAOYSA-N 387.315 -0.936 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(F)C[C@H](N)C1 2282350929 UKRWEBMABILBJA-LGZQZNNBSA-N 388.274 -0.173 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H]2CCNC[C@@H]2O)OC1(C)C 2282355112 ZAEOGHVBLOGCGW-KGLIPLIRSA-N 382.291 -0.013 30 10 GBEE 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C#CCN(CC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)CC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 888835344 LZSDUOAUAWBMQO-HBASERCASA-N 385.464 -0.494 30 10 GBEE C=C1[C@@H](C(=O)N(C)CCN2CCOCC2)[C@H]1C(=O)N(C)CCN1CCOCC1 900518303 NIMSTWCDSNODJG-HDICACEKSA-N 394.516 -0.630 30 10 GBEE C#CC1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 912970096 XNZZZAKINKHYGL-ZBFHGGJFSA-N 396.440 -0.064 30 10 GBEE C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1120412190 HOPKSTXCDIPUJL-BEFAXECRSA-N 377.441 -0.523 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1300538654 UAYNGXDQHDPWOX-CABCVRRESA-N 395.485 -0.281 30 10 GBEE Cc1nsc(N2CCN(C(=O)C(=O)N3CCC(=O)N(C)CC3)CC2)c1C#N 1328300015 ULVWBXZWXCCENF-UHFFFAOYSA-N 390.469 -0.338 30 10 GBEE C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 1328697924 ZJBNBIKNEWURKK-QZTJIDSGSA-N 376.501 -0.229 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)C1 1329958378 PVPLQEPXKJFCCC-CQSZACIVSA-N 377.441 -0.224 30 10 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CC(=O)N1CCO[C@@H](CN2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)C1 1857492364 NPQIGCKGECRSKM-GUYCJALGSA-N 385.424 -0.127 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@]1(=O)CC[C@H](CN)C1 2282174186 OWFKHBICQOMDAH-AFNXNYLOSA-N 383.283 -0.299 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1COCC1(F)F 2282320981 PZAWZDFGSDVARF-MRVPVSSYSA-N 394.209 -0.573 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1COC[C@H]1CO 2282330299 XUSDELXFCJORDQ-MNOVXSKESA-N 387.267 -0.995 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3CO)n1 2282497664 SZRVKHZJZAHVMD-MDZLAQPJSA-N 383.279 -0.279 30 10 GBEE CCCN(CC(N)=O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282833720 JMSLBVAJZHRSGS-UHFFFAOYSA-N 387.271 -1.000 30 10 GBEE CC(C)N(C[C@H](C)O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282838697 SSXNHRXGXLCOEC-NSHDSACASA-N 388.299 -0.106 30 10 GBEE C#CCN1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 151721576 UDHKCRHKFMWUNP-UHFFFAOYSA-N 384.440 -0.232 30 10 GBEE N#C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1C1CC1 369218293 HHUKLPUNAMUJAE-AWEZNQCLSA-N 387.531 -0.253 30 10 GBEE COCCN1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 375008275 LRYJWQFNXSTCHW-UHFFFAOYSA-N 383.368 -0.648 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)CC1 434084734 KSRLUADTVRCESS-UHFFFAOYSA-N 384.444 0.329 30 10 GBEE COCCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCOC2)c1 519771904 JQRQHPBZXGXULP-UHFFFAOYSA-N 389.455 -0.174 30 10 GBEE CC(C)[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1CCCS1(=O)=O 530271823 MUBAWJCVLKBCBO-CYBMUJFWSA-N 395.441 -0.736 30 10 GBEE CO[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCOC1 595132746 WCFNQWQEHKJPNW-HOTGVXAUSA-N 387.440 -0.230 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 674193555 AWIMAAZBIWDHAG-UHFFFAOYSA-N 399.451 -0.643 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 795071534 CDGVCIRDPYZVOA-NSHDSACASA-N 392.480 -0.704 30 10 GBEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCCO)n[nH]1 1084423058 CACSOHZFLZIBNM-UHFFFAOYSA-N 382.450 -0.743 30 10 GBEE CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1CCc2c(CC#N)cccc2C1 1118901078 JITNYBJTDSBWIS-UHFFFAOYSA-N 384.436 -0.045 30 10 GBEE C=C(C)Cn1c(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nnc1[C@]1(C)C[C@@H](O)CN1C 1122394438 BAWAWGVOAJMTQB-PXWIGAEESA-N 388.472 -0.183 30 10 GBEE CNC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1155522730 ZHYIEYAADWZCJD-LBPRGKRZSA-N 394.453 -0.364 30 10 GBEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c1 1303993645 BLMOIRSNWDLJSP-AWEZNQCLSA-N 397.478 -0.542 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 1325079650 ZLPMFZXTWXHVSQ-CYBMUJFWSA-N 397.439 -0.781 30 10 GBEE C[C@@H]1CCC[C@H](CNC(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)O1 1329306751 RUQNJZOXVUNUBY-ZWNOBZJWSA-N 375.385 -0.722 30 10 GBEE C#CC[C@H](COC)NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1331529883 XEEDPOFEJDXXLA-CQSZACIVSA-N 385.486 -0.443 30 10 GBEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCS(=O)(=O)C1 1597137735 DRRHIUKKSQQMJC-HNNXBMFYSA-N 399.490 -0.356 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1690660515 IZLLUJHUDMJUGU-LLVKDONJSA-N 388.519 -0.256 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2CC)CC1 1722429290 JWCDZFSTLOCQSG-UHFFFAOYSA-N 397.487 -0.071 30 10 GBEE C[C@H](C(=O)NCC#CCN1CCOCC1)N1C(=O)c2ccccc2S1(=O)=O 1850282134 IRYKWWXHMHPXIL-CQSZACIVSA-N 391.449 -0.329 30 10 GBEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1CCN1CCOCCC1=O 1855019616 SRBHSDGARBEGBX-AWEZNQCLSA-N 385.424 -0.125 30 10 GBEE COCCN(CC(=O)N1CCCC[C@@H](N(C)CCC#N)C1=O)S(C)(=O)=O 1856338564 XGRWHFQEYAYIID-CQSZACIVSA-N 388.490 -0.352 30 10 GBEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(S(=O)(=O)c2ccc(C#N)cc2N)C1 2165754212 HVIKNDUHAPXXJI-UHFFFAOYSA-N 395.441 -0.106 30 10 GBEE C#CCSCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267355005 DREJJGFUXRWAPF-UHFFFAOYSA-N 386.308 -0.241 30 10 GBEE COC(=O)[C@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267710783 AZRIXHFPFMWQRS-JTQLQIEISA-N 391.276 -0.141 30 10 GBEE CC1(C)OB(c2cnccc2C(=O)NC[C@@H]2CCS(=O)(=O)N2)OC1(C)C 2281795861 HTCMXPJGCJEPLT-NSHDSACASA-N 381.263 -0.198 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3CC[C@@]3(N)C2)n1 2282497118 LVIAENLUJPGOLE-MEDUHNTESA-N 382.295 -0.169 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC12CCN(CC1)C2 2282856428 SADYZHDNFFFGIB-UHFFFAOYSA-N 382.295 -0.154 30 10 GBEE C[C@@H]1[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1C 2282864200 CJOHCQSUZGRZMN-MNOVXSKESA-N 385.299 -0.515 30 10 GBEE CC[C@@]1(O)CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282869209 ZDIKTXHCEVAZKM-OAHLLOKOSA-N 386.283 -0.350 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(CC)CCCN2CCCC2)CC1 410800182 GVOUGQNBOYERJN-UHFFFAOYSA-N 393.532 -0.233 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 459882153 FOMSUBBSHMRYFE-UHFFFAOYSA-N 379.505 -0.625 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCO1 594816743 KITQKYKLMRDZSS-DLBZAZTESA-N 380.470 -0.188 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 611887962 XJTRBKXNNBETJX-SEBNEYGDSA-N 386.470 -0.646 30 10 GBEE C=CCn1c(N2CCN(CC(N)=O)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 643702036 MVUKPCCDYPWUCL-GOSISDBHSA-N 392.460 -0.361 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cc(C)c(C(F)(F)F)n2)CC1 831584943 QLVBIDOQOSJVGN-UHFFFAOYSA-N 393.391 -0.178 30 10 GBEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 861955147 AUSPWCIVSJBXIN-SNVBAGLBSA-N 385.829 -0.422 30 10 GBEE Cc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)ccn1 863430860 MFOYLGPQHVGJJT-UHFFFAOYSA-N 381.461 -0.028 30 10 GBEE C#CCN(C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1117307193 WQPZOIIQLORVNE-HNNXBMFYSA-N 393.421 -0.098 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)CC1 1120333869 NINFWJPGDYHZSG-AALSBFMBSA-N 391.501 -0.445 30 10 GBEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)C1=O 1120344208 NSSNVKNMIZIOKE-LIRRHRJNSA-N 392.456 -0.031 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 1120440374 YAGBGOYRRGHZNE-UHFFFAOYSA-N 399.513 -0.364 30 10 GBEE C=CCn1c(N2CCN(S(=O)(=O)CC)CC2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1121709651 VNMIBSRATCNMBH-RHSMWYFYSA-N 398.533 -0.153 30 10 GBEE C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 1324804923 YBQIDSHTUQJJIB-IBGZPJMESA-N 391.472 -0.858 30 10 GBEE C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)C1 1326824660 TXTURBZEMVKWLR-CQSZACIVSA-N 398.481 -0.173 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1345887588 ULOZUNJSPMLORM-INIZCTEOSA-N 399.513 -0.100 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1490874426 GJNYVWXBXRYHPY-SYQHCUMBSA-N 378.429 -0.280 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1508421579 BVZSYEPRLWUXSU-NEPJUHHUSA-N 378.462 -0.047 30 10 GBEE CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)co1 1538308644 NIXWZCIBMFIDBX-FZMZJTMJSA-N 387.439 -0.460 30 10 GBEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)co1 1542125386 STDJFXNAMRQMKS-CYBMUJFWSA-N 387.439 -0.574 30 10 GBEE Cc1nn(C)cc1C1=NO[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1618171641 GCCMBLFJURBVPO-HZUKXOBISA-N 377.426 -0.382 30 10 GBEE CNC(=O)N1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1618824985 WBFIMQBJVLUGKT-PFONDFGASA-N 388.432 -0.426 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(N3CCN(C)CC3)ccn2)C1=O 1643434437 AVIRNJOKALADPQ-UHFFFAOYSA-N 386.412 -0.251 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)CC1 1760526574 CITVJAQBGKBAEY-UHFFFAOYSA-N 375.433 -0.971 30 10 GBEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC#N)[C@@H]2CS(=O)(=O)C[C@H]21 2006290751 YFUNKKSGPXGNQC-GHMZBOCLSA-N 379.460 -0.442 30 10 GBEE O=C(N[C@H](CS(=O)(=O)NCC#CCCO)C(=O)O)OCc1ccccc1 2244226073 QBJXSCNUKDLRPW-CQSZACIVSA-N 384.410 -0.329 30 10 GBEE C[C@H]1CCO[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282322670 PIVHJLYOGBLRSP-QWRGUYRKSA-N 386.283 -0.182 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1[C@H]2CN[C@H]1C2 2282333038 JSBORGCXTJAZCH-WZRBSPASSA-N 382.295 -0.395 30 10 GBEE CC1(C)OB(c2cncnc2C(=O)N=c2nc(CCN)[nH]s2)OC1(C)C 2282680160 KONLOOOXQLBPDE-UHFFFAOYSA-N 376.251 -0.197 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2COCC[C@@H]2O)n1 2282831720 DCGDUCDFRIVWTN-RYUDHWBXSA-N 387.267 -0.853 30 10 GBEE Cn1nnnc1CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282861974 XAVQOMKDGGHQEL-UHFFFAOYSA-N 380.239 -0.617 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCNC[C@H]3O)c2)OC1(C)C 2282862447 CPEBPLHQWFQUBK-UONOGXRCSA-N 383.279 -0.618 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1c[nH][nH]c1=N 2282864516 HCQHMZBDDRASQI-UHFFFAOYSA-N 382.255 -0.667 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cccnn1 2282868678 QXQKZTBQKPIANT-UHFFFAOYSA-N 380.239 -0.617 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)N2CC(CS(N)(=O)=O)C2)OC1(C)C 2283065255 ZUWQLIGSNFIHNT-UHFFFAOYSA-N 382.251 -0.864 30 10 GBEE C#Cc1cnn(C2CN(C(=O)[C@@H]3[C@H](O)[C@H](O)CN3C(=O)OC(C)(C)C)C2)c1 2365007040 YVSSDQXNQXWGOH-QLFBSQMISA-N 376.413 -0.411 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@@H](C)O)[C@@H](C)C3)CC2)o1 247771860 PJDISCSXIJMDAR-LSDHHAIUSA-N 390.488 -0.110 30 10 GBEE CC/N=C(/NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCC(=O)NC1 262813841 VZENIPRZNRJRSB-GFCCVEGCSA-N 377.536 -0.801 30 10 GBEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCCOC1 349514495 VCFCNKSTWPJYFP-CYBMUJFWSA-N 381.476 -0.670 30 10 GBEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCN(CC(=O)N(C)C)CC2)CC1 376806594 LDYMWDVZADGYOS-SFHVURJKSA-N 392.548 -0.225 30 10 GBEE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cscc3C#N)CC2)CC1 432489477 LIJAADSKRIMNMA-UHFFFAOYSA-N 383.499 -0.130 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)C1=O 452267123 UWMLKFLQERJKTA-LLVKDONJSA-N 379.369 -0.999 30 10 GBEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 595152281 MMIJNYAQLUGPFD-HNAYVOBHSA-N 393.488 -0.566 30 10 GBEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC)c2=O)cn1 735069100 PYDVVWMOIBOIIX-UHFFFAOYSA-N 389.481 -0.198 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCN2C(=O)OCC[C@H]2C1)c1cc[nH]n1 772486005 BEOQAQVOQSSDJW-NSHDSACASA-N 379.373 -0.253 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(-n2nccn2)cc1)[C@H]1CCS(=O)(=O)C1 783481600 QIDUAIFPZBGYSM-HNNXBMFYSA-N 387.421 -0.145 30 10 GBEE CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@H](O)c1cccc(C#N)c1 844367008 QEUMYBLCHOYWMC-HNNXBMFYSA-N 382.424 -0.029 30 10 GBEE C#CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1 848943319 VAINQOKRGSADIW-HNNXBMFYSA-N 383.451 -0.099 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](OC)C1 941758016 UAHQSQCINBJPJZ-YIYPIFLZSA-N 379.413 -0.932 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)CC1 1152968071 YADXUCJUXKJEDK-UHFFFAOYSA-N 388.453 -0.443 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 1282160659 QXAQLTZSMPCECJ-YJNKXOJESA-N 392.456 -0.127 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCOC 1286408212 AKCHJTAABUSZGQ-OAHLLOKOSA-N 380.470 -0.084 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C1 1325239913 KBBSVGPIQQSDEA-OLZOCXBDSA-N 382.442 -0.015 30 10 GBEE CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 1332411238 PIMQDUHEISUYGP-HNNXBMFYSA-N 390.465 -0.095 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@]2(C(F)(F)F)CCCN2)CC1 1335818589 RWGUGPOWGZXNLM-INIZCTEOSA-N 388.390 -0.225 30 10 GBEE C=C(C)Cn1c([C@H]2C[C@H](O)CN2C)nnc1N1CCN(CC(=O)NCC)CC1 1343918996 MSOPSTQINHSGPY-JKSUJKDBSA-N 391.520 -0.150 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CN(C)C2)CC1 1350550889 SEOLMWANQFPIFV-CQSZACIVSA-N 391.497 -0.317 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359300065 SNDLOOYYXUESEO-TUAOUCFPSA-N 390.400 -0.355 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2-c2cccnc2)CC1 1455114225 BRFOFKJJBDKDOJ-UHFFFAOYSA-N 388.453 -0.293 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)cc1 1583325309 MCQWPNJEMOTCPF-UHFFFAOYSA-N 388.453 -0.013 30 10 GBEE N#CCN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1586493980 PFCHFIQYLLUPCC-HNNXBMFYSA-N 375.404 -0.604 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1 1632961076 SQPLAFAKRXHULN-UHFFFAOYSA-N 375.410 -0.038 30 10 GBEE C#CC[C@H](CO)NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1641749648 PAYQHNVDZQJKIL-PBFPGSCMSA-N 386.470 -0.232 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 1643372613 TZBPNKNSUZFOIQ-UHFFFAOYSA-N 381.458 -0.119 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3nccn3)cc2)CC1 1668470729 BYSMAUSWVAVZJG-UHFFFAOYSA-N 389.441 -0.116 30 10 GBEE C=CCCn1cc(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1739063035 INUPJJPCBLPGTN-KQTLUZQSSA-N 377.445 -0.029 30 10 GBEE C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1740379811 NVMRLQUKQWTNLF-UPJWGTAASA-N 379.417 -0.080 30 10 GBEE C#CCOCCONC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2077122372 KELNVWYBRIQDTH-LBPRGKRZSA-N 376.431 -0.282 30 10 GBEE CCNc1nc[nH]c(=NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1C#N 2234030689 QXVPWULHNHRPSD-AGIUHOORSA-N 378.433 -0.045 30 10 GBEE CN(CC[S@](C)=O)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2267708598 MYQKOJORAWMGRL-DEOSSOPVSA-N 391.324 -0.282 30 10 GBEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CS(=O)(=O)C1 2281982953 XBQGDFKXKRTKDA-SNVBAGLBSA-N 383.279 -0.118 30 10 GBEE Cn1nc(C(=O)N[C@H]2CC(=O)NC2=O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282038131 DSKIYZDWBZEATL-ZETCQYMHSA-N 382.613 -0.482 30 10 GBEE CN(C)[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282315272 LTZGXROUENDZBV-LLVKDONJSA-N 385.299 -0.561 30 10 GBEE CCOC[C@@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282337633 IPQAGGVSPGJHRT-NSHDSACASA-N 389.283 -0.605 30 10 GBEE CO[C@@H]1CC(=O)N(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282415433 HONVEWJHLMTZNQ-SNVBAGLBSA-N 385.251 -0.345 30 10 GBEE Cn1ncc(C(=O)NCC2(C)CS(=O)(=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282572579 NHOMTESFFXJLOZ-UHFFFAOYSA-N 383.279 -0.116 30 10 GBEE CC1(C)OB(c2cncnc2C(=O)N2CC(CS(C)(=O)=O)C2)OC1(C)C 2282697039 LGBCWBIUSSKHDU-UHFFFAOYSA-N 381.263 -0.108 30 10 GBEE C[C@@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2284399191 HKUAPMXVSADFDL-NXEZZACHSA-N 385.251 -0.045 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3C[C@H](O)[C@H]2C3)n1 2359277060 JMAWXUYNKOYSKF-UHTWSYAYSA-N 383.279 -0.137 30 10 GBEE CC(C)N1C(=O)CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC1(C)C 349474216 JHZYVUIQDJZSIB-UHFFFAOYSA-N 394.519 -0.520 30 10 GBEE CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1 349625488 VEZCPZKVXRAPDI-AWEZNQCLSA-N 392.503 -0.906 30 10 GBEE C[C@H]1CN(CCO)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 457101917 QREDJNKVRSLANA-UONOGXRCSA-N 380.470 -0.250 30 10 GBEE COCCN(C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1)[C@@H]1CCOC1 582652055 CUQZTNYFAURGHW-MRXNPFEDSA-N 387.440 -0.134 30 10 GBEE CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 583213718 DIXNQWDBTOPXHH-NSHDSACASA-N 386.455 -0.755 30 10 GBEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cn1 594315744 LLQXWXMLJYRXAL-LSDHHAIUSA-N 381.396 -0.645 30 10 GBEE C#CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 848943320 VAINQOKRGSADIW-OAHLLOKOSA-N 383.451 -0.099 30 10 GBEE C#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C)c1 848955343 WLFXRNSTIRMTNN-ZIAGYGMSSA-N 397.478 -0.022 30 10 GBEE C=C(CNC(=O)C1CN([C@H]2CCOC2)C1)CNC(=O)C1CN([C@@H]2CCOC2)C1 898986588 FVNQSLJDLCFVNV-HDICACEKSA-N 392.500 -0.784 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)C1CCN(C)CC1 910885660 MMBPXLMCXCGBAH-SFHVURJKSA-N 376.501 -0.134 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 1258476292 SRWFGKLDHLVJCP-DLBZAZTESA-N 380.489 -0.687 30 10 GBEE CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)C1 1326547065 AOZKEVSXKKSGCP-AWEZNQCLSA-N 376.438 -0.059 30 10 GBEE N#Cc1cccc2c1CN(C(=O)C(=O)N1CCC(n3cc(C(N)=O)nn3)CC1)C2 1328913792 XEPGJJDVPFWMCK-UHFFFAOYSA-N 393.407 -0.045 30 10 GBEE C=CCC(C)(C)Cn1nnnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 1335895195 GLGQQHMYRQGYMV-UHFFFAOYSA-N 399.521 -0.026 30 10 GBEE O=C(CCNS(=O)(=O)c1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 1338792644 ICACYFZEUJKUIH-MSUUIHNZSA-N 392.437 -0.002 30 10 GBEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCO[C@@H](CNC(=O)NC)C1 1340347083 ZHQSDHHODFTCGV-UONOGXRCSA-N 379.465 -0.399 30 10 GBEE COC(=O)[C@@]1(N2CCN(C(=O)C(=O)N3CCC[C@H](CC#N)C3)CC2)CCOC1 1348206098 JGLCDPJNTVPRJE-DNVCBOLYSA-N 392.456 -0.385 30 10 GBEE C[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1CCN(C)CC1 1479601881 SXOZQVDISCHFOF-LBPRGKRZSA-N 375.433 -0.977 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1535553386 VFTODSPCNKMOBK-OAHLLOKOSA-N 380.470 -0.010 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@H](C)C(=O)NCC(F)(F)F)c1cc[nH]n1 1543381304 HQUZYKDMIGVQBP-MRVPVSSYSA-N 393.322 -0.123 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2nnnn2CC1 1570432802 CXZVIQOWSMJHKG-JTQLQIEISA-N 375.414 -0.767 30 10 GBEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1682917044 UKTMMCUUIZLKIA-FVCCEPFGSA-N 379.461 -0.665 30 10 GBEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNS(C)(=O)=O 1705834887 VFXGIGIEOBMSKL-SNVBAGLBSA-N 380.496 -0.940 30 10 GBEE CCN(CCC#N)C(=O)CN1CC(CCO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1717506562 JFNXKHNOADEHSW-OCABDXPQSA-N 390.484 -0.275 30 10 GBEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722700443 JQGZGUQJSONNSM-OAHLLOKOSA-N 399.455 -0.483 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1740610326 WYQRDRUFMFUGET-LSDHHAIUSA-N 381.502 -0.030 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1740952968 SAMAPJXOJXYNAU-UHFFFAOYSA-N 396.459 -0.039 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NCC#CCN1CCOCC1 1850069963 KUGOBGCVQIHXRO-CQSZACIVSA-N 383.445 -0.056 30 10 GBEE CN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854485738 SCQFHMPCCKDXJX-OAHLLOKOSA-N 376.438 -0.433 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NC2CCN(CC#N)CC2)[C@@H](O)C1 2197490620 RLNJTIBLJCIKSO-KBXCAEBGSA-N 382.461 -0.177 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCO1 2249444172 ITTANLAHPPQFMT-KGLIPLIRSA-N 397.409 -0.080 30 10 GBEE Cc1nc(C(=O)NCCNS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2267475994 SAQGSNBZYTXUMR-UHFFFAOYSA-N 390.296 -0.726 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@](C)(O)C1CC1 2282311988 POAWIAMXKLWTTF-HNNXBMFYSA-N 386.283 -0.446 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCOC[C@@H](O)C1 2282328193 UGGHJTRPYSRXFC-NSHDSACASA-N 387.267 -0.899 30 10 GBEE CN1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2282493257 SLDYMQGFNRRSGT-STQMWFEESA-N 382.295 -0.204 30 10 GBEE C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282838456 ORZNDZQTTIEPKD-MNOVXSKESA-N 386.283 -0.494 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H](CS(C)(=O)=O)C(=O)O)C1 2335437995 BMHUDKOFVYGVTN-NOEPWBJOSA-N 388.442 -0.093 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@@H]3CC[C@H]2[C@H]3N)n1 2359282896 QCYJOIQICVVSCK-DRZSPHRISA-N 382.295 -0.171 30 10 GBEE C/N=C(/NCCN1CCN(C(=O)C2CCC2)CC1)N[C@H]1CCc2ncnn2C1 261793629 QRELZJLBOSWDIC-INIZCTEOSA-N 388.520 -0.298 30 10 GBEE Cc1nsc(N2CCN(C(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)CC2)c1C#N 298054767 XIRCCDVUJBNGKU-LLVKDONJSA-N 390.469 -0.339 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 419984634 XUFZLPNJDWWZRS-INIZCTEOSA-N 379.505 -0.543 30 10 GBEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCCN2CCOCC2)cn1 460584230 IIDHXDZGFBMTHK-UHFFFAOYSA-N 383.412 -0.084 30 10 GBEE CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)C2)c1 581677899 SJNLWGSSDMBZMT-NSHDSACASA-N 386.455 -0.313 30 10 GBEE C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@H](C)C1 829144103 JSRVSTRTHWAMII-CHWSQXEVSA-N 382.490 -0.072 30 10 GBEE C#CCN(C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1)C1CCN(C)CC1 910886964 OESLKEBMUMCVFH-UHFFFAOYSA-N 376.501 -0.134 30 10 GBEE C#CCN(C(=O)N[C@@H]1CCc2nc(COC)nn2C1)[C@@H]1CCS(=O)(=O)C1 1116464539 HGDIRSTXAFDSLP-CHWSQXEVSA-N 381.458 -0.429 30 10 GBEE C#CCN(C(=O)c1cc(S(=O)(=O)N(C)C)cn1C)[C@@H]1CCS(=O)(=O)C1 1116565770 HDRSCQYWXYJOBK-GFCCVEGCSA-N 387.483 -0.462 30 10 GBEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCCc3ccc(C#N)cc3)CCN2C1=O 1118520269 GKYHFEYQLRHZHM-OAHLLOKOSA-N 383.408 -0.288 30 10 GBEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 1118919590 KSJAIZBRCSLDHR-OPBSBSOUSA-N 387.440 -0.915 30 10 GBEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 1161780257 KHLMTUSPJPEACI-KBPBESRZSA-N 397.478 -0.270 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1282757393 MEEBHNVDCURAID-SUJAAXHWSA-N 392.456 -0.922 30 10 GBEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCS(=O)(=O)C1 1286794212 ZRSKIWODPSIQNG-NSHDSACASA-N 379.446 -0.041 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 1327199359 FBXZGEJXGSANHQ-NWANDNLSSA-N 375.429 -0.166 30 10 GBEE N#CCNC(=O)CN1CC[C@]2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CCC[C@H]12 1332100253 NXULDEDWXDKIFZ-IMYGGXQCSA-N 376.457 -0.209 30 10 GBEE C[C@]1(C2CC2)NC(=O)N(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1462991480 XAJYRWVBLNNLRB-XZJROXQQSA-N 380.426 -0.896 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1469545983 OEJWZXMEBLPIPM-MAUKXSAKSA-N 397.497 -0.106 30 10 GBEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(C)c1 1510216532 CEHLNRBDFWOXTG-DGCLKSJQSA-N 394.461 -0.601 30 10 GBEE CCCCN(C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1559448545 FWYCNMSKINSQQI-CYBMUJFWSA-N 396.469 -0.457 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)Cn2cnnn2)C1 1573214592 SZJWNEYVTYKWCV-DLTWYDFYSA-N 392.460 -0.366 30 10 GBEE CC(C)(C)OC(=O)CN1CC[C@@H](N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1648415158 CETPULHCOJDIEJ-AHIWAGSCSA-N 383.470 -0.201 30 10 GBEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)CCO1 1698493045 MVEMKKGQXGVVBQ-GJZGRUSLSA-N 390.444 -0.065 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705631467 GJQUGOYTMOFOKA-HXUWFJFHSA-N 399.499 -0.252 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@@H]2CN3CCN2CC3)CO1 1855784674 XHASDNKXZQQLRE-CABCVRRESA-N 392.437 -0.594 30 10 GBEE C#CCN(CC(=O)O)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2123668594 FHFQVHOIYCURGX-LBPRGKRZSA-N 388.442 -0.043 30 10 GBEE Cn1cc(C#N)c(=NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)[nH]1 2124687854 KCLVDEOHOPFRGL-HNNXBMFYSA-N 383.430 -0.266 30 10 GBEE C[C@H]1CNC[C@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505074 YGYWCLOTSKVBGQ-RYUDHWBXSA-N 384.311 -0.147 30 10 GBEE CO[C@H]1COC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282505963 LMZOKVAOIUZEKN-RYUDHWBXSA-N 387.267 -0.589 30 10 GBEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2CCS(=O)(=O)C2)OC1(C)C 2283057522 ARSNKOORNHOHMJ-NSHDSACASA-N 381.263 -0.060 30 10 GBEE C[C@H](CCC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284402709 KQOHTIUKHBYERX-SECBINFHSA-N 388.255 -0.354 30 10 GBEE CC(=O)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 36400271 UUBHXYINEPOWQI-XHWTUMPSSA-N 388.457 -0.352 30 10 GBEE biogenic,in-vitro C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](O)(C(F)F)C1 349468439 PIRGWUFOOMOJPC-CMPLNLGQSA-N 389.446 -0.418 30 10 GBEE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 594630144 IXJZBPSIRJLNQB-LLVKDONJSA-N 398.466 -0.170 30 10 GBEE N#CC1(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCCCC1 595277868 HCRTVTXBQAETRF-HNNXBMFYSA-N 375.473 -0.001 30 10 GBEE C=CCOC[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)C(=O)OC 599873861 MXVUSVJZLGNVNM-QEJZJMRPSA-N 394.428 -0.431 30 10 GBEE CNCCOCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 599943949 PNQXZQBGJVGAMO-MRXNPFEDSA-N 387.440 -0.872 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC(C)(C)O[C@@]3(CCOC3)C2)c1=O 794696976 YBROGVIDRWHSQT-IBGZPJMESA-N 392.456 -0.229 30 10 GBEE O=C(C1CC1)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 801262672 BSQDUBFKZPXTAT-ZDUSSCGKSA-N 377.422 -0.068 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 1289077612 ZSRMVIGBIWZWPF-TUVASFSCSA-N 381.473 -0.182 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC3(CCOCC3)CO2)CC1 1330062798 QBGQFVYVKIJNLA-MRXNPFEDSA-N 391.468 -0.324 30 10 GBEE C#CCN(C(=O)C(=O)NCC[C@@H](N(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1334852146 YSDIZIZNUHMPQS-VXGBXAGGSA-N 397.419 -0.366 30 10 GBEE C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCN(c2nncn2C)CC1 1342208298 SHOSMCSOCPTCEU-CQSZACIVSA-N 385.476 -0.012 30 10 GBEE C#CCC1(O)CCN(C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 1352935896 BAZBWFNHUQWEHV-KRWDZBQOSA-N 376.501 -0.398 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1 1359292476 PWGGMWRLYPNZOW-VXGBXAGGSA-N 386.478 -0.584 30 10 GBEE CC(C)Cc1nnc(N2CCNC(=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359863898 AHRKTTUXJPIFSP-MSUUIHNZSA-N 387.444 -0.061 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2COC3=O)CC1 1466759706 LJWMITKYDFERQO-UHFFFAOYSA-N 378.410 -0.026 30 10 GBEE C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H](C)NC(N)=O)nn1 1490786985 GIANKQACFBJRGD-SFTQSGBHSA-N 375.433 -0.227 30 10 GBEE C#CCO[C@H](C)C(=O)NCCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1524078464 LVYLINSRZMIXRF-ZXXIGWHRSA-N 375.469 -0.292 30 10 GBEE Cn1c(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c(C#N)c(=O)n(C)c1=O 1559273814 FVYKNIOUSNNDFN-MGPQQGTHSA-N 389.456 -0.408 30 10 GBEE C=CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1568312743 HBDSPRMQTOPPOU-LLVKDONJSA-N 376.456 -0.578 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 1622498499 LLMLYAWPEBVKHY-UHFFFAOYSA-N 382.467 -0.527 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H]2CCN(O)C2=O)C1 1624906186 BYFPUHSURCSZQZ-QWRGUYRKSA-N 391.446 -0.483 30 10 GBEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 1690485091 LJVXHVSAQAIAFR-ZDUSSCGKSA-N 398.489 -0.487 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740960234 NTGRALRGPALVEN-BFHYXJOUSA-N 393.444 -0.556 30 10 GBEE C#CCN(c1nnc(COCC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748824310 NQZIZMSKRXFXNL-CYBMUJFWSA-N 383.474 -0.471 30 10 GBEE C[C@@H](CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2255808085 DEWGSGJTRJUFCU-QMMMGPOBSA-N 375.281 -0.151 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NCC(O)(CO)CO)OC1(C)C 2267471779 VSQRESCGRUGDTA-UHFFFAOYSA-N 393.292 -0.959 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CC[C@](O)(CO)[C@@H](O)C3)cs2)OC1(C)C 2282200687 OAOPXPUZCQNNBE-SJCJKPOMSA-N 383.275 -0.023 30 10 GBEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283055202 FDYYNUGTJZWGFM-GHMZBOCLSA-N 381.263 -0.061 30 10 GBEE C[C@@H]1C[C@@H](C(=O)O)N1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2284396202 BLOYRVWYVQTWDQ-KOLCDFICSA-N 385.251 -0.045 30 10 GBEE Cn1cc(C(=O)N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(B2OC(C)(C)C(C)(C)O2)n1 2361658854 PFMIMMYUBIRLTF-PWSUYJOCSA-N 381.263 -0.412 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2CC3(C2)OC[C@H](O)[C@H]3O)OC1(C)C 2362502128 ALXUUEBGPROLID-WDEREUQCSA-N 382.247 -0.611 30 10 GBEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@@H](CN)C2)n1 415601179 PPKKPADFSRDFHT-ZDUSSCGKSA-N 388.815 0.522 30 10 GBEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586858821 HTPDXDCMPCQCRA-CYBMUJFWSA-N 382.417 -0.146 30 10 GBEE Cn1ncc2c(=O)n(CC(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cnc21 750419631 LAZFRNLZVYOZKO-UHFFFAOYSA-N 386.393 -0.352 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(OC)nc1OC)[C@H]1CCS(=O)(=O)C1 783480635 SAGRFCSUNWQIIX-NSHDSACASA-N 381.410 -0.314 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCCS2(=O)=O)n1 788934423 DWVNDCLWRUSYGT-UHFFFAOYSA-N 383.474 -0.290 30 10 GBEE N#C[C@H](C(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCS(=O)(=O)CC1 796711776 GCXKNYFYONXDLI-GHMZBOCLSA-N 381.376 -0.164 30 10 GBEE C#C[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 854774946 YHAICHYWFHVUQP-UKRRQHHQSA-N 381.454 -0.674 30 10 GBEE C=C1[C@@H](C(=O)N2CCC[C@@H](C(=O)NC)C2)[C@H]1C(=O)N1CCC[C@H](C(=O)NC)C1 900656363 KVPCRQYUDHAWNX-GEEKYZPCSA-N 390.484 -0.242 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)CC1 1119054064 NZEYNZGVUMPFTF-QGZVFWFLSA-N 392.481 -0.134 30 10 GBEE N#C[C@]12CN(C(=O)Cc3ccc(S(N)(=O)=O)s3)C[C@H]1CS(=O)(=O)C2 1157884360 HNUOFEOJEKTUNR-TVQRCGJNSA-N 389.480 -0.665 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286785071 AEFUYNMLLUZHAD-VXGBXAGGSA-N 398.489 -0.599 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNS(C)(=O)=O 1286964708 DFWNOSMBPHXLLR-RYUDHWBXSA-N 383.478 -0.236 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)CNC(C)=O)C1 1489600001 UIDUJPXQJMUHEW-FZKCQIBNSA-N 381.473 -0.182 30 10 GBEE C[C@H](NS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(C#N)c1 1522142571 XDURXJAUHSUKEZ-VZLIPTOUSA-N 379.442 -0.314 30 10 GBEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c1 1528783867 KCAYZUDMFIYLHX-CQSZACIVSA-N 382.380 -0.239 30 10 GBEE N#C[C@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1556607595 MRRQVBFZZSNYOE-MRVPVSSYSA-N 384.137 -0.119 30 10 GBEE COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)OC 1619606682 AUYYVXSTQQUSGH-UONOGXRCSA-N 378.433 -0.209 30 10 GBEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(O)C2=O)C1=O 1636352450 IGNOIPQBCZVMIX-GTNSWQLSSA-N 376.369 -0.432 30 10 GBEE CC(=O)NCCc1ccc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1652100054 OEYPHFFJNMOCRS-UHFFFAOYSA-N 384.392 -0.565 30 10 GBEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)NC 1705549623 CELVBKIVMICSAA-UHFFFAOYSA-N 380.430 -0.376 30 10 GBEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOCCS(C)(=O)=O)CC1 1760265680 HDMFYWOSGOVKPS-UHFFFAOYSA-N 397.501 -0.386 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1 1760521752 CBOMKHOQCZASFF-STQMWFEESA-N 383.474 -0.293 30 10 GBEE CN(C(=O)c1ccc(N2CCOCC2)nn1)C1CN(c2nccnc2C#N)C1 1848810975 RONYTTQJPIVCBN-UHFFFAOYSA-N 380.412 -0.064 30 10 GBEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ncccn2)C1)[C@H]1CCN(C)C1=O 1857273981 DWNOTUXEJBZSRO-CABCVRRESA-N 387.440 -0.051 30 10 GBEE C[C@H](CS(N)(=O)=O)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2255840711 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381.385 -0.468 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1 492337079 VQGRFWRUQJJPTN-GFCCVEGCSA-N 379.490 -0.065 30 10 GBEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)C1 567844868 BARPWYQYTYPEAS-OAHLLOKOSA-N 378.454 -0.091 30 10 GBEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC(=O)N1C 570050243 YWUSGMDHBRFNFN-NWDGAFQWSA-N 392.437 0.000 30 10 GBEE C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 584372781 KEGXEDHVJYEERM-AWEZNQCLSA-N 377.445 -0.312 30 10 GBEE C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1)c1ccc(C#N)cc1 599946847 LYDGVNWKHQIPII-OAHLLOKOSA-N 398.467 -0.095 30 10 GBEE N#CCCN1CCN(C(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)CC1 601433384 ADANEIYVPUKZGM-UHFFFAOYSA-N 385.472 -0.012 30 10 GBEE CC#CC[C@H](CO)NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 646951083 YMCSECDPLMCSMR-ARFHVFGLSA-N 399.447 -0.088 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)C1=O 772925741 SKDJTNIACCARPS-VXGBXAGGSA-N 380.401 -0.054 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCCC1 839360038 ZMYYCWFGDIIBDG-UHFFFAOYSA-N 390.484 -0.606 30 10 GBEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c3c(nn2C)CCC3)c1=O 901849403 LRLMCNIFJIPEEN-UHFFFAOYSA-N 395.488 -0.207 30 10 GBEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)CN1CCCCC1)c1cc[nH]n1 1140510307 MHLGDUKPEBPRCM-CYBMUJFWSA-N 381.433 -0.344 30 10 GBEE C#CCN(C(=O)NCc1nc(O)c2c(n1)CCOC2)[C@@H]1CCS(=O)(=O)C1 1235545059 MRRYPLSSYYAFMD-LLVKDONJSA-N 380.426 -0.413 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)CC2)cc1 1261303010 BAQDOMSFMDBETR-NRFANRHFSA-N 395.463 -0.059 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CCN1C1CC1 1261916495 VENOZMDQQZKXSH-QZTJIDSGSA-N 389.500 -0.055 30 10 GBEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@]12COCCN1C(=O)COC2 1287914549 IDGVXWMMZQFDKE-LJQANCHMSA-N 388.424 -0.048 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](NC(C)=O)C(C)C 1292169341 GKHIQKHZUKAQIG-ZXFNITATSA-N 376.457 -0.465 30 10 GBEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCn2cnnn2)c1 1302987078 KOMJGGBKGYYQQJ-UHFFFAOYSA-N 378.400 -0.170 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(COCCO)CC2)c1 1303786034 HCKNZFHBKQPASW-UHFFFAOYSA-N 396.465 -0.426 30 10 GBEE C#CCN(C(=O)C(=O)Nc1c(OC)ncnc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1320869304 VSZPOVQJBKPSNH-LLVKDONJSA-N 395.441 -0.861 30 10 GBEE C=CCO[C@H]1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1323246357 LNIDAZIGOJXYBV-ZDUSSCGKSA-N 391.515 -0.715 30 10 GBEE C[C@@H](CO)N(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1324929320 WFMDJPFBPAZGIJ-ZDUSSCGKSA-N 394.453 -0.770 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n1 1330146575 COYQRXGRMZRDHC-LSDHHAIUSA-N 392.481 -0.242 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)C1 1508071803 MMOLRDSUFKWSRO-UHFFFAOYSA-N 377.449 -0.565 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1508091685 OFOWLMZEPZLOPC-CYBMUJFWSA-N 398.489 -0.834 30 10 GBEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOCCS(C)(=O)=O 1508416105 DNAVTHOLMBDAOP-QWHCGFSZSA-N 398.489 -0.114 30 10 GBEE Cn1cc(C[C@@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1570475704 OJIKZCSOHVNSJJ-HNNXBMFYSA-N 391.453 -0.055 30 10 GBEE Cn1ncnc1C1(O)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1634918552 JIRJWMYRQPEFQC-OAHLLOKOSA-N 395.423 -0.299 30 10 GBEE CO[C@]1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CCS(=O)(=O)C1 1684251972 NNHDVJGWLJCEEM-KRWDZBQOSA-N 393.469 -0.011 30 10 GBEE C=CCn1cc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1701858765 LMSFTEDKSMVGFP-UIWYYIFQSA-N 389.456 -0.221 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(C)=O 1748847903 YEXBAXFYHRBFRN-OAHLLOKOSA-N 377.470 -0.221 30 10 GBEE C=CCN1C[C@@H](C(=O)N2CCN(C3C(=O)CCCC3=O)[C@@H](C)C2=O)CC1=O 1854924594 XOXIQGDFLGZUAV-STQMWFEESA-N 375.425 -0.229 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccccc3)C(=O)C2)C1 1856830129 LOSQFGQUDPQWGW-HNNXBMFYSA-N 376.438 -0.101 30 10 GBEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874432416 FDMUSRNXZMZORN-YAXRCOADSA-N 393.385 -0.012 30 10 GBEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](O)C(=O)O)OC1(C)C 2256909852 HJUFSOPJRYDKES-VIFPVBQESA-N 377.249 -0.229 30 10 GBEE CC1(C)OB(c2cncnc2C(=O)N2CC[C@H](S(N)(=O)=O)C2)OC1(C)C 2282184230 PVMWKGHQDOFNOR-JTQLQIEISA-N 382.251 -0.721 30 10 GBEE CC(C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(N)=O 2282335621 RVPKZRWOHBTJMQ-LBPRGKRZSA-N 386.283 -0.493 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]23CNC[C@H]2C3)n1 2282836835 PTIVOPKCIBONBW-BDJLRTHQSA-N 382.295 -0.393 30 10 GBEE COC(=O)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282847880 GCMAFBDIEJPHBQ-UHFFFAOYSA-N 387.267 -0.097 30 10 GBEE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282861032 JNBVVGJIRINCLJ-SNVBAGLBSA-N 384.267 -0.772 30 10 GBEE Cc1cn(C)nc1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868521 ONUWWVVOJIIWIT-UHFFFAOYSA-N 382.255 -0.043 30 10 GBEE COCC1CC(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282868594 PMRKLVUCBGMNAU-UHFFFAOYSA-N 386.283 -0.182 30 10 GBEE Cc1scc(C(=O)N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2369496477 QSFBLAVSXVBZKY-UVLXDEKHSA-N 383.275 -0.059 30 10 GBEE C=CCNC(=O)CN1CCN(Cc2c(C)nn(C)c2N2CCOCC2)CC1 122253815 NYHQFXCTAAZSJO-UHFFFAOYSA-N 376.505 -0.015 30 10 GBEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 266642496 LUINPIRMMXEGAR-LBPRGKRZSA-N 383.401 -0.074 30 10 GBEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 279468052 GFVWXTRWBOZTBF-SJKOYZFVSA-N 376.438 -0.036 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 474617500 MIZYLRMJIDJVSG-UHFFFAOYSA-N 376.417 -0.359 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CCN(C)C)C(C)(C)C)CC1 479909390 AWBSUCWFMZIYDD-MRXNPFEDSA-N 395.548 -0.085 30 10 GBEE C[C@H](NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N)C(C)(C)O 594637546 QMLJNDHXISTXKN-NWDGAFQWSA-N 399.560 -0.274 30 10 GBEE C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCN1S(C)(=O)=O 598220312 MCUSXDYIURLSAC-CYBMUJFWSA-N 399.494 -0.035 30 10 GBEE N#Cc1cn(C2CN(C(=O)NCCCOC[C@@H]3CCOC3)C2)c(=O)nc1O 598990761 HWFFQHZXGZHKCT-LBPRGKRZSA-N 377.401 -0.170 30 10 GBEE C#C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 854764881 BLQADXQYHLWXCF-GJZGRUSLSA-N 382.438 -0.174 30 10 GBEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]2CCNC(=O)[C@H]21)c1cc[nH]n1 1175797855 WQCQQZVQGSZVNK-NHYWBVRUSA-N 377.401 -0.179 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3nonc3c2)CC1 1251485368 VAEKSPMKQZSARX-UHFFFAOYSA-N 378.414 -0.482 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 1296946471 HLBIAYNWNZOKEW-UHFFFAOYSA-N 391.449 -0.453 30 10 GBEE CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1304001360 CMJJGRSUPJANBT-BBRMVZONSA-N 397.478 -0.005 30 10 GBEE CCCN(C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCN(C)C1 1328283767 BAROBGFCVCAHNJ-JFVSRZABSA-N 377.445 -0.428 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC[C@@H]2CNC[C@H]2C)n1 1335265934 YKNPELVFPGDRMU-HZPDHXFCSA-N 375.473 -0.147 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)CC1 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385.486 -0.156 30 10 GBEE CS(=O)(=O)c1ncc(Br)c(C(=O)N[C@@H](CS)C(=O)O)n1 2175931414 DNQSZXIEIPVQEL-YFKPBYRVSA-N 384.233 -0.245 30 10 GBEE C=C(CS(=O)(=O)NCCCNS(N)(=O)=O)B1OC(C)(C)C(C)(C)O1 2255956138 ZFDXMZSPAOTYCW-UHFFFAOYSA-N 383.301 -0.723 30 10 GBEE Cn1cc(C(=O)N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)nc1B1OC(C)(C)C(C)(C)O1 2282044195 RMNWDUNBJJKENR-PEGIJTEDSA-N 381.263 -0.508 30 10 GBEE C[C@@H]1CC[C@@H](N)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282291890 NOHQIRGHRPVSRE-GHMZBOCLSA-N 385.299 -0.385 30 10 GBEE CN(C)[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282841091 LTZGXROUENDZBV-NSHDSACASA-N 385.299 -0.561 30 10 GBEE CCOC[C@@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867689 CBRNMUPSJXMIEF-NSHDSACASA-N 389.283 -0.605 30 10 GBEE CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12)c1csc(N)n1 11616978 MQLRYUCJDNBWMV-GZPQMAAYSA-N 397.438 -0.166 30 10 GBEE C#CCNC(=O)CN1CCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 301294170 RKXABGRUUUFSKA-UHFFFAOYSA-N 384.396 -0.136 30 10 GBEE 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392.474 -0.003 30 10 GBEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC#N)[C@H]2CS(=O)(=O)C[C@H]21 2054405198 JLGOVGXSNRWTGB-NEPJUHHUSA-N 393.487 -0.052 30 10 GBEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(S(=O)(=O)c2cccnc2C#N)C1 2118169829 YYVXILIOVCAXQZ-UHFFFAOYSA-N 381.414 -0.294 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)NCC2CN(S(C)(=O)=O)C2)OC1(C)C 2281925560 YSYQJOSTDFVLIA-UHFFFAOYSA-N 384.267 -0.670 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2C[C@@]2(CO)C1 2282340494 GNMKSMQFWXUUPN-BZNIZROVSA-N 383.279 -0.278 30 10 GBEE Cn1cc(C(=O)N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2282591285 NZGPGZTZIFUYPO-ZSBIGDGJSA-N 381.263 -0.508 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2COCC[C@H]21 2282831503 AAYLIWWCUSBFQD-GHMZBOCLSA-N 384.267 -0.476 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC3(CC(O)C3)C2)n1 2282839691 HRXGHHNDGOWARQ-UHFFFAOYSA-N 383.279 -0.135 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@]2(F)C[C@H](N)C2)n1 2282842388 XPCDKLXVGGRZKT-LGZQZNNBSA-N 388.274 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C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1705584223 BPPIQRYOORWJRU-LJQANCHMSA-N 399.476 -0.114 30 10 GBEE Cc1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726371126 SARYTEOQPUCVQB-DCFQSUQFSA-N 385.428 -0.172 30 10 GBEE C#CCNC(=O)CC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[C@H]1C(N)=O 1736174717 YRHNXLRZRJPHLW-LVQVYYBASA-N 390.484 -0.229 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(C)(=O)=O 1749663514 IHEHULZZQABXDN-UHFFFAOYSA-N 381.462 -0.538 30 10 GBEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1760250790 MNIGWQHCUQEVJJ-GOSISDBHSA-N 377.445 -0.362 30 10 GBEE CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1768296346 BHJOUEIWPDTOPX-LBPRGKRZSA-N 392.445 -0.597 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[S@](C)=O)n1 2255796415 QKVXOQQTGIFHNL-QHCPKHFHSA-N 377.297 -0.624 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2CC3(C2)OC[C@H](O)[C@@H]3O)OC1(C)C 2282015489 MQLRNMNJGXWXHX-RYUDHWBXSA-N 381.259 -0.006 30 10 GBEE CCc1nc(C(=O)NC(CO)(CO)CO)c(B2OC(C)(C)C(C)(C)O2)s1 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396.444 -0.138 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)ncn3C)CC1 491076029 CVJGCTBCCBJCFT-UHFFFAOYSA-N 384.440 -0.042 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c1 568255282 WBXYEXKDORGAIG-GWCFXTLKSA-N 386.455 -0.614 30 10 GBEE C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2COCCO2)c1 579734711 NLZFXVFEWPRMQA-RYUDHWBXSA-N 389.455 -0.429 30 10 GBEE CC(C)Oc1cncc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 594299033 ZDUCUWZNVZVJMP-UHFFFAOYSA-N 390.444 0.277 30 10 GBEE Cn1cc(/C=C/C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(=O)n(C)c1=O 760777976 OUXZWRFJPMHIAY-VOTSOKGWSA-N 380.408 -0.287 30 10 GBEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(N2CCS(=O)(=O)CC2)CC1 784402684 DAGMSUAZERXDCP-UHFFFAOYSA-N 398.510 -0.095 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)n1 809441388 XCVRRGGNYDOXOG-DOTOQJQBSA-N 391.472 -0.673 30 10 GBEE CCOC(=O)C[C@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 816668015 CALPVOCEFMMIER-LLVKDONJSA-N 383.426 -0.455 30 10 GBEE C#CCN(C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1323628608 DXMVJILQYPTKIH-RYUDHWBXSA-N 395.403 -0.612 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1325535968 SVTPXXUYBNXTPY-ZFWWWQNUSA-N 393.465 -0.025 30 10 GBEE C=C(C)Cn1c([C@@H]2C[C@@H](O)CN2C)nnc1N1CCN(CCOC)C(=O)C1 1357117688 MTDBIDYGPWIUMX-CABCVRRESA-N 378.477 -0.113 30 10 GBEE C[C@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 1439712360 XKUWZAPRQWCQID-KRWDZBQOSA-N 392.437 -0.438 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCCS(=O)(=O)NC)c1 1475560575 VSKPTRKAFPZSFC-UHFFFAOYSA-N 375.472 -0.180 30 10 GBEE CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1517581608 CCJLHUMNYWDZOU-IINYFYTJSA-N 387.441 -0.534 30 10 GBEE C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CCOC)nn1 1522147397 NWIYFTWBAAGEQA-YCPHGPKFSA-N 375.429 -0.174 30 10 GBEE C#Cc1cccc(NC(=O)CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)c1 1543315277 USSXMUDTHOHQBA-UHFFFAOYSA-N 387.421 -0.133 30 10 GBEE CS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1616335459 CDQWJRIBLWPYHT-SGMGOOAPSA-N 375.472 -0.945 30 10 GBEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN(O)C1=O 1624906996 ZVCKZDMYDNBIKL-LLVKDONJSA-N 390.439 -0.775 30 10 GBEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)o1)[C@H]1CCS(=O)(=O)C1 1625363513 PFQGRWATPILGRP-QMMMGPOBSA-N 380.831 -0.157 30 10 GBEE N#C[C@]12CN(C(=O)c3csc(S(N)(=O)=O)c3)C[C@H]1CS(=O)(=O)C2 1639816662 LKPDFBLFCCYQGU-JOYOIKCWSA-N 375.453 -0.594 30 10 GBEE N#C[C@@]12CN(CC(=O)N3CCN(Cc4ccco4)CC3)C[C@H]1CS(=O)(=O)C2 1655683721 LXMCAPXUHPRRCN-YJBOKZPZSA-N 392.481 -0.206 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 1659298205 QCDYEUCOIAMIIO-OAHLLOKOSA-N 396.473 -0.321 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)C(=O)OC(C)(C)C)CC1 1683610098 JSUWHLOKYRDTPX-ZDUSSCGKSA-N 388.490 -0.241 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CC(N)=O)C1 1690669560 ISWGDUYEIKLCEF-OLZOCXBDSA-N 389.460 -0.377 30 10 GBEE C#CCNC(=O)[C@H](C)N1CCN(CCN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1714886957 DICGIFFNPXOFJM-MLHJIOFPSA-N 376.501 -0.232 30 10 GBEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1722352304 NWPURLRJAKTGQU-GFCCVEGCSA-N 386.499 -0.173 30 10 GBEE C#CCN1CCN(c2nnc(COCC)n2CC2(C(N)=O)CCOCC2)CC1 1740699953 AEVUSMFXKKVAHK-UHFFFAOYSA-N 390.488 -0.148 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740953024 TUGKUHRSVOCBGP-AWEZNQCLSA-N 382.490 -0.107 30 10 GBEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cnnn1C 1761462893 BRTXQOMIUCMCAR-GHMZBOCLSA-N 381.466 -0.197 30 10 GBEE Cn1ncnc1CN1CC[C@@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)C1 1853714446 YGCMOOHLJKWNSL-MRXNPFEDSA-N 394.439 -0.359 30 10 GBEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 2124701382 KONLTYNAEXQWIC-OLZOCXBDSA-N 386.474 -0.346 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(F)(CO)C1 2267714517 LDXOXGUDKMLJDI-UHFFFAOYSA-N 375.231 -0.576 30 10 GBEE Cn1nc(C(=O)N2CCNC[C@H]2CO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282035745 ZDTWZXXJTSQRKV-JTQLQIEISA-N 384.673 -0.221 30 10 GBEE CC[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)C 2282320414 IGUXRVGODSXMQA-LLVKDONJSA-N 387.315 -0.267 30 10 GBEE Cn1nc(C(=O)NC[C@H]2CNC[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282545989 UAPSQLFHLGTWKN-ZJUUUORDSA-N 384.673 -0.317 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CC(C(N)=O)C2)n1 2282831934 GVMDFWKORCPVLJ-UHFFFAOYSA-N 384.267 -0.739 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ccccn1 2282857899 OIWWMAZNQXSUAW-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N=c1cc[nH]cc1F 2282867911 GAAYOQLWKJFYDG-UHFFFAOYSA-N 383.214 -0.129 30 10 GBEE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2283055204 FDYYNUGTJZWGFM-QWRGUYRKSA-N 381.263 -0.061 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@]2(C)CCNC2=O)n1 2289000472 AQRVLBSOGHFRAZ-HNNXBMFYSA-N 384.267 -0.724 30 10 GBEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N1CCN(CCC#N)CC1 2335437571 SPDCTPWVMWEBKC-ZDUSSCGKSA-N 388.490 -0.018 30 10 GBEE COCCN(C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCOC1 410860174 IMAGHWZARNFRNU-MRXNPFEDSA-N 387.440 -0.134 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)CC1 513008261 CZKNOLNECMPYAA-UHFFFAOYSA-N 385.424 -0.452 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 541142404 ODEDLJGTPKAPLU-UHFFFAOYSA-N 397.439 -0.143 30 10 GBEE C=CCNC(=O)CSc1nnc(NC(=O)CN(C)S(C)(=O)=O)s1 585156723 DDCOLXWHYNHWGA-UHFFFAOYSA-N 379.489 -0.238 30 10 GBEE COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 600835137 ATKBHRZKVMCDNY-RISCZKNCSA-N 381.410 -0.375 30 10 GBEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)OC)CC1 754003986 CVHZVYJJMAPSMM-UHFFFAOYSA-N 393.465 -0.163 30 10 GBEE Cn1cnc2c1c(=O)n(CCCOC(=O)[C@@H](O)c1ccc(C#N)cc1)c(=O)n2C 780205059 KJNHJXNEZAUUIU-HNNXBMFYSA-N 397.391 -0.028 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(CC(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783480658 SEFUDBYULSJGTA-HNNXBMFYSA-N 392.433 -0.011 30 10 GBEE C#CCC1(O)CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 880476835 HMXCOOYXYXLVRE-UHFFFAOYSA-N 378.517 -0.105 30 10 GBEE C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)CC1 884643028 VKCPSWHZMCBTJN-OAGGEKHMSA-N 391.472 -0.854 30 10 GBEE C#CCNC(=O)C1CCN(C(=O)C(=O)NCC[C@@H](N(C)C)C(F)(F)F)CC1 1120301732 DWXJZFOUQWQINU-CYBMUJFWSA-N 390.406 -0.027 30 10 GBEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)cc1 1171154355 SZQNWDQAAWCLHF-SJORKVTESA-N 389.433 -0.183 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 1327782918 KCXNNTPQIKWHKQ-ZDUSSCGKSA-N 393.444 -0.494 30 10 GBEE C=CC[C@@H]1CCN(C(=O)C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)C1 1335056516 QJHLKPZHGCIBST-DNVCBOLYSA-N 379.457 -0.113 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 1335583744 ISFFYKUNPFKTTR-WIYYLYMNSA-N 385.464 -0.058 30 10 GBEE C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN(C2CC2)C(=O)C1 1338720196 SNTJPESHICCURV-UHFFFAOYSA-N 385.428 -0.661 30 10 GBEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC1CC1 1358999959 IJHJSWRULUXVPG-GFCCVEGCSA-N 382.490 -0.126 30 10 GBEE C=CCCn1cc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)nn1 1472221607 BVQHFKZEGCZNIF-BWBHSNQOSA-N 381.458 -0.205 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1512985477 XDGQPATYLMUYIR-LHHMISFZSA-N 392.456 -0.394 30 10 GBEE COCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1619836615 JOUMEZBCKOLJIH-CABCVRRESA-N 391.476 -0.074 30 10 GBEE N#C[C@]12CN(CC3=Nc4ccccc4S(=O)(=O)N3)C[C@H]1CS(=O)(=O)C2 1655770535 INHLBZOPYGJCFZ-XHDPSFHLSA-N 380.451 -0.121 30 10 GBEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)CC1 1722435446 NGIYOHOBNILOTH-UHFFFAOYSA-N 389.485 -0.356 30 10 GBEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749652102 IDNLTJSOJWKVOQ-UHFFFAOYSA-N 377.449 -0.537 30 10 GBEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CC(S(=O)(=O)CC)C3)C2=O)CC1=O 1854961088 GFYFNKVVRIPXNF-OCCSQVGLSA-N 383.470 -0.733 30 10 GBEE 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C=CCS(=O)(=O)CCNC(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1633522892 SWLHBHOMRQMSAX-INIZCTEOSA-N 375.491 -0.498 30 10 GBEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)OCC 1643588979 GVVCGIKEMPBPQQ-JTQLQIEISA-N 378.838 -0.111 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCn2cncn2)C1 1702392435 VQCKHRIVPIXYEO-IVSAIRAKSA-N 377.445 -0.273 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccc2nn[nH]c12 1736549897 VSDSNPIIXNYLSX-DFBGVHRSSA-N 380.408 -0.041 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CC=CCC3)C(=O)C2)C1 1856855309 WCDXOUJHJRSZNT-GJZGRUSLSA-N 380.470 -0.059 30 10 GBEE N#C[C@H]1CN(CCS(=O)(=O)N2CCNCC2)CCN1Cc1ccccc1 1914889388 RSDOHESXRCABPS-SFHVURJKSA-N 377.514 -0.069 30 10 GBEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1O 2060136424 ZJMGEYBETFHBNK-GRYCIOLGSA-N 375.447 -0.152 30 10 GBEE CC1(C)OB(c2csnc2C(=O)NCC2(S(N)(=O)=O)CC2)OC1(C)C 2267242828 RJHHTRLDEIUMTJ-UHFFFAOYSA-N 387.292 -0.007 30 10 GBEE 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C#CC(CO)(CO)NC(=O)C1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1 2290349400 GDCVDOKUOHATEN-UHFFFAOYSA-N 384.429 -0.351 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 108419895 ZYUMFUDGSWUKNW-JTQLQIEISA-N 397.434 -0.973 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3[C@H](N)CCC[C@H]3C2)CC1 423039288 QDTUILYUUKZPAE-ARFHVFGLSA-N 377.489 -0.981 30 10 GBEE N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)CC1 570294461 RWERTJPIFVDMQL-YABSGUDNSA-N 383.451 -0.056 30 10 GBEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)n(C)c2)c(=O)n1C 588581327 BSBMLLMCBWJMOS-UHFFFAOYSA-N 399.476 -0.297 30 10 GBEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CC1 593238039 YWKUQWJOHJQSAC-UHFFFAOYSA-N 381.396 -0.046 30 10 GBEE CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 600766465 JZJXGQBGULTFQD-BFHYXJOUSA-N 379.504 -0.273 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1 825967667 KTXVXPUDEPGBSW-KBPBESRZSA-N 391.390 -0.136 30 10 GBEE 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C=CCN1CC[C@H](N2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C(=O)C2)C1 1853633389 YPHNPKQRHVXWEM-CVEARBPZSA-N 388.472 -0.141 30 10 GBEE Cn1cc(CN2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)nn1 1856861048 CBKUDFAXQQWBGW-KRWDZBQOSA-N 394.439 -0.359 30 10 GBEE CC1(C)OB(c2cnc(NS(=O)(=O)N3CCC[C@@H]3CO)nc2)OC1(C)C 2161842347 ZHUNZWZCUARKAK-GFCCVEGCSA-N 384.267 -0.111 30 10 GBEE C[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[S@@](C)=O 2267716736 ROCHQVKUDRRECB-CCGUKBGLSA-N 391.324 -0.235 30 10 GBEE C[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCN1 2282286301 KFVUDDAAZSDCAQ-NSHDSACASA-N 385.299 -0.513 30 10 GBEE C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282326533 UKNRVBYBPHQYNJ-WDEREUQCSA-N 385.299 -0.657 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1O 2282657842 PAWFHYXFAXCIDH-KXCXCYQVSA-N 384.182 -0.420 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(O)(C(F)F)C1 2282849964 JHXALCBVLVBMGR-UHFFFAOYSA-N 393.221 -0.280 30 10 GBEE 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30 10 GBEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNS(C)(=O)=O 1722413351 LQLSVMHKDRIMOP-LBPRGKRZSA-N 389.503 -0.811 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)NC(CN)CN)OC1(C)C 2255793836 CSNYDGAZQPXTMZ-UHFFFAOYSA-N 376.313 -0.852 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)C(=O)O)s2)OC1(C)C 2256904827 BPWHVJNUNKOTRU-QMMMGPOBSA-N 377.249 -0.229 30 10 GBEE C[C@H](ONS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269015414 IFYQVQZERGYWOZ-QMMMGPOBSA-N 375.212 -0.598 30 10 GBEE CO[C@@H]1CNC[C@H]1NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282298764 UTCHMNKZZDKDQH-ZIAGYGMSSA-N 383.279 -0.354 30 10 GBEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H]2CCNC[C@H]2O)OC1(C)C 2282355113 ZAEOGHVBLOGCGW-UONOGXRCSA-N 382.291 -0.013 30 10 GBEE CN(Cc1nc[nH]n1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282489587 HHHMAZGYHMVKAL-UHFFFAOYSA-N 382.255 -0.342 30 10 GBEE CCc1nc(C(=O)NC2(C(N)=O)CNC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282525541 LCZRXJWJXWHCGQ-UHFFFAOYSA-N 380.279 -0.438 30 10 GBEE 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C#CCN(C(=O)NCc1ccc(S(N)(=O)=O)cc1C)[C@@H]1CCS(=O)(=O)C1 775202889 PUTJXAPVVCGOGB-CQSZACIVSA-N 399.494 -0.026 30 10 GBEE O=C(CC1(CC(=O)N[C@@H]2CCN(O)C2=O)CCCC1)N[C@H]1CCN(O)C1=O 820185688 PXNHLXSYLQGXAC-TXEJJXNPSA-N 382.417 -0.460 30 10 GBEE C#CCNC(=O)CN1CCN(c2ccc3nnc(Br)n3n2)CC1 881916610 OCFYPRHBKXZNSC-UHFFFAOYSA-N 378.234 -0.242 30 10 GBEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 900260661 WTNYHHQQLQLOIT-AWEZNQCLSA-N 393.531 -0.845 30 10 GBEE C=C1[C@@H](C(=O)N2CCOC[C@H]2C[C@@H](C)O)[C@H]1C(=O)N1CCOC[C@@H]1C[C@H](C)O 907416394 IIBHGMVHCMCSHM-OGKOVRRHSA-N 396.484 -0.215 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 1118023434 DHKBINQGSTYZMK-OAHLLOKOSA-N 393.465 -0.150 30 10 GBEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1286965176 HNEWPIIYFAOKPQ-NEPJUHHUSA-N 383.478 -0.284 30 10 GBEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1300410292 MOFWQBSEAZHUCP-AWEZNQCLSA-N 383.474 -0.139 30 10 GBEE 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C[C@H](CC(=O)NN1C(=O)[C@@H](C)N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1629885124 OHNHEWOFPNRXDG-NXEZZACHSA-N 393.425 -0.183 30 10 GBEE C#CCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1638678656 PHLQGGIKMWRINJ-WFASDCNBSA-N 385.511 -0.010 30 10 GBEE C#CCNC(=O)CN1CCN(Cc2nc3ncc(Br)cn3n2)CC1 1645868263 RYPAKIQOWJAHIE-UHFFFAOYSA-N 392.261 -0.246 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)O 1705495897 XHNFQWAHGOHXJR-STQMWFEESA-N 385.490 -0.160 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nncn1C 1736581549 CJJYGLNWPOSMGK-YJNKXOJESA-N 375.429 -0.382 30 10 GBEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CS(=O)(=O)CN3C(C)=O)C2)CC1 1855016167 SMKFWFJJDRIFLG-HZPDHXFCSA-N 397.497 -0.138 30 10 GBEE C=C(CS(=O)(=O)N[C@H]1CNC[C@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2267470834 BNALEDWUISPXKT-NWDGAFQWSA-N 394.324 -0.522 30 10 GBEE CC1(C)OB(c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3O)s2)OC1(C)C 2267612646 MHYHIITURDHWBL-UWVGGRQHSA-N 387.288 -0.065 30 10 GBEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CCCO1 2282327076 CGSINGKQUSQAHA-LLVKDONJSA-N 386.283 -0.086 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@]2(O)C[C@@H]2C1 2282340896 LFPLMAJJPCMDMU-BZNIZROVSA-N 383.279 -0.135 30 10 GBEE COC(=O)NCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502594 NJFUXNLZVXPTDI-UHFFFAOYSA-N 388.255 -0.646 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2311669048 DGYDEBUGZNMXCA-ZYUZMQFOSA-N 378.447 -0.395 30 10 GBEE CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 297771276 JMOGMAFGJHUDTN-LJQANCHMSA-N 384.440 -0.414 30 10 GBEE CN1CCO[C@@H]2CN(/C(O)=N/[C@H]3CCCN(c4nccn(C)c4=O)C3)C[C@@H]21 329678436 VOXYMPBHLNFAAM-SOUVJXGZSA-N 376.461 -0.322 30 10 GBEE COc1cccc(N2C[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2=O)c1 410107282 SOUCYNFWGJNDTH-DOMZBBRYSA-N 380.426 -0.141 30 10 GBEE CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 410469530 DEACNIFVKRFGCV-UHFFFAOYSA-N 386.456 -0.608 30 10 GBEE 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1291924971 VPUOHGRYZKUETE-MDZLAQPJSA-N 375.433 -0.070 30 10 GBEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CC1 1322542066 AXHLCTYGZUWBTH-OAHLLOKOSA-N 391.472 -0.362 30 10 GBEE CN(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1323418685 BYSHBKPSWMWDQC-FJOSAAFMSA-N 377.445 -0.382 30 10 GBEE CN1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1=O 1328297640 GUMPEQFMXHNUIZ-UHFFFAOYSA-N 383.452 -0.107 30 10 GBEE CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1328361786 FODRVATZMIJFOR-DKASORFFSA-N 377.445 -0.382 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1328597198 YVONIQFKQRDDFF-KRWDZBQOSA-N 399.447 -0.231 30 10 GBEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(N)=O)C1 1540861984 NTMUQRXLNPXOOE-GFCCVEGCSA-N 391.476 -0.190 30 10 GBEE CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1555807766 DKOFLFJQPUASMY-LBPRGKRZSA-N 382.446 -0.826 30 10 GBEE COC(=O)C1(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC(CO)C1 1558797806 YYEYDYSDWYDWGQ-UHFFFAOYSA-N 380.422 -0.097 30 10 GBEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)F 1588559423 GGYWUIRRFLJZJU-UHFFFAOYSA-N 398.414 -0.019 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[S@](=O)CC)CC1 1588806135 HTAOPDPKSOWITF-RMKBEBRYSA-N 378.502 -0.247 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1 1595545301 UVKKYIXHYJDYDE-CQSZACIVSA-N 392.460 -0.621 30 10 GBEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1726405627 CIRMWLXKBWCMCV-OAHLLOKOSA-N 382.490 -0.176 30 10 GBEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(CCn4nccn4)C3)CC2=O)ccn1 1854237781 FDMFAKJRLXIANT-KRWDZBQOSA-N 394.439 -0.396 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@H]3CN4CCN3CC4)CO2)cc1 1855736712 NIHWNOJKCHVDMT-GOEBONIOSA-N 392.437 -0.594 30 10 GBEE CS(=O)(=O)N1CC(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)C1 1856524960 NFGPJGZMBDDHJV-KGLIPLIRSA-N 380.470 -0.369 30 10 GBEE N#CCCNC(=O)CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019012347 QUZFTVBCPPNIPZ-ZDUSSCGKSA-N 397.409 -0.189 30 10 GBEE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(C#N)nc2)(C(N)=O)C1 2174779872 NWLUQEPGVIDEBH-UHFFFAOYSA-N 395.441 -0.046 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 2200931355 KOVWBTMXRWPRHA-AWEZNQCLSA-N 384.477 -0.292 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC([S@](C)=O)C1 2267374008 LFUHGIBYGDNDNL-DEOSSOPVSA-N 389.308 -0.529 30 10 GBEE CCn1cc(C(=O)N(C)CCS(N)(=O)=O)nc1B1OC(C)(C)C(C)(C)O1 2282043651 OPJJIOHXXWEQDM-UHFFFAOYSA-N 386.283 -0.437 30 10 GBEE Cc1ccc(S(=O)(=O)N2CC(O)(CN)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282307988 LEDNKIXMFMEFNT-UHFFFAOYSA-N 382.291 -0.012 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@H]2NCC[C@@H]21 2282329847 SCBUXDIKRSFJFZ-CYZMBNFOSA-N 382.295 -0.252 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1NC[C@@H]2C[C@H]21 2282338057 KWOGJFAYKKGYEM-TUAOUCFPSA-N 382.295 -0.395 30 10 GBEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)c1nn[nH]n1 2282352883 RSTKAFCNNZYGEE-QMMMGPOBSA-N 383.243 -0.728 30 10 GBEE 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C=CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 199872064 XMJFVIGTHMOGNZ-CYECFUPASA-N 387.432 -0.991 30 10 GBEE endogenous,in-man CC/N=C(/NCCS(=O)(=O)N1CCSCC1)N[C@H]1CCC(=O)N(C)C1 262817449 XEBRZDAXDHHURY-ZDUSSCGKSA-N 391.563 -0.459 30 10 GBEE CCNC(=O)N1CC[C@@H](NC(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)C1 278880789 YMRXGKDJGPNATI-PZWTZLACSA-N 380.405 -0.387 30 10 GBEE C=CCNC(=O)CN(CC(=O)NCC=C)S(=O)(=O)c1c(C)nn(C)c1C 298423988 MNEATOFWDKEWOO-UHFFFAOYSA-N 383.474 -0.368 30 10 GBEE CN(C)C(=O)CCN1CCN(/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CC1 329920229 GWYMQRHWRIDMTF-AWEZNQCLSA-N 389.522 -0.580 30 10 GBEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2cncc(C(=O)NC)c2)CC1 371607670 KTDYDXMGLQTSJM-AATRIKPKSA-N 383.452 -0.262 30 10 GBEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCN(CC(=O)N(C)C)CC2)CC1 376806590 LDYMWDVZADGYOS-GOSISDBHSA-N 392.548 -0.225 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@]2(CO)CC(C)C)CC1 410976813 JFLJCANSWAQPRC-HXUWFJFHSA-N 394.516 -0.168 30 10 GBEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)n[nH]1 440760559 MRPGQSKWXBPLCO-UHFFFAOYSA-N 385.432 -0.185 30 10 GBEE CO[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)C[C@H]1O 566488220 SRJYBJCBTXTLNY-ZIAGYGMSSA-N 389.455 -0.789 30 10 GBEE CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c1 579374567 TVIPTRQXKLSUGT-UHFFFAOYSA-N 398.466 -0.217 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)CC)c2)CC1 762699988 KWAMYHPNAKOULD-UHFFFAOYSA-N 377.466 -0.013 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1 807422206 FCCVANRCDYHNHQ-HNNXBMFYSA-N 396.488 -0.662 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2[C@H](O)C(=O)N(C)[C@H]2c2cnn(C)c2)C1=O 1123772924 ADJMABSNXADMRT-QPSCCSFWSA-N 375.429 -0.844 30 10 GBEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 1319242549 FINOIODPTHMREX-LBPRGKRZSA-N 399.498 -0.234 30 10 GBEE CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 1323983930 XUSMCXVOBQCWRK-LBPRGKRZSA-N 382.417 -0.289 30 10 GBEE 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394.453 -0.392 30 10 GBEE CCS(=O)(=O)N1CCC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1628386283 SIHGEYMPZCMUMT-JQIJEIRASA-N 384.458 -0.309 30 10 GBEE Cn1c(=O)c2c(ncn2CC(=O)NCc2cc(F)c(C#N)c(F)c2)n(C)c1=O 1633679766 ZPQUKQKJMPHCPY-UHFFFAOYSA-N 388.334 -0.100 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2cc(C(=O)OC)co2)CC1 1636479900 HXHOIRICBYYHSO-SNAWJCMRSA-N 381.410 -0.309 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2nc(C)cc2C(F)F)CC1 1650848935 OBRDSJPGDAIYCG-UHFFFAOYSA-N 375.401 -0.259 30 10 GBEE Cc1c(C#N)c(=O)n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(=O)n1C 1656778474 FEMMAOILRWYOCK-UHFFFAOYSA-N 391.334 -0.240 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@H](OC)C1 1683239347 JWABSZQYERPTMO-LVQVYYBASA-N 379.457 -0.212 30 10 GBEE C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1736493763 SDAMCJOWGJCOSQ-PMPSAXMXSA-N 376.457 -0.320 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2C[C@H](C1)C2O 2282289078 VBGHQABTTYTRRV-ZACCUICWSA-N 384.267 -0.884 30 10 GBEE 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C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1507601249 OFPBTXDLLKVYDF-SJKOYZFVSA-N 394.501 -0.031 30 10 GBEE C=C(C)Cn1c(C[C@H]2SCCNC2=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1515640860 QWERVBQGLMGCFV-QWHCGFSZSA-N 391.501 -0.158 30 10 GBEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 1539094014 IZYWHDFRRAYOSL-HUUCEWRRSA-N 396.517 -0.178 30 10 GBEE CS(=O)(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1C(F)(F)F 1641389677 VYTOEPXVPIPKGF-RKDXNWHRSA-N 394.331 -0.746 30 10 GBEE CCOc1ccc(CN(C)C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1644087701 RUDJJBJTZKREII-UHFFFAOYSA-N 386.408 -0.069 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCN(C)CC1 1645261133 ALXUVXVSLCQSFU-UHFFFAOYSA-N 378.454 -0.172 30 10 GBEE C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1689226093 GXUVBHNPZRRWGA-TWMKSMIVSA-N 392.500 -0.118 30 10 GBEE C#CCN(c1nnc(C)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722364609 MAJUQQXEPLOWEI-HOCLYGCPSA-N 381.502 -0.066 30 10 GBEE 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30 10 GBEE C#CCN(CC(=O)NOC1CCN(C)CC1)CC(=O)NOC1CCN(C)CC1 822724190 CQVRBNVWVVWAIP-UHFFFAOYSA-N 395.504 -0.794 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC1 839224955 JWVVTIUMRMCYTP-INIZCTEOSA-N 385.468 -0.156 30 10 GBEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 1118258029 BJGILZVMZIXQKM-KRWDZBQOSA-N 395.419 -0.271 30 10 GBEE N#Cc1ccccc1S(=O)(=O)NC(=O)CC1(n2cnnn2)CCOCC1 1118543115 WRYQWGOUCINFMR-UHFFFAOYSA-N 376.398 -0.054 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1120457262 BXOXFVAYQSTRLJ-HNNXBMFYSA-N 397.497 -0.346 30 10 GBEE C=C(CO)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1146477911 LJEKPCBSBXPWCG-UHFFFAOYSA-N 381.410 -0.601 30 10 GBEE C#CC[C@H](CO)NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 1212442985 UDUQYYVGPYCTHK-CYBMUJFWSA-N 378.447 -0.250 30 10 GBEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@@H](c4ccco4)C3)C2)c(=O)nc1O 1261805405 IICVUPWXOGQRHD-LLVKDONJSA-N 383.364 -0.187 30 10 GBEE 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390.292 -0.174 30 10 GBEE CN(CCS(=O)(=O)N(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2281976364 AKMDOXQZVRTZNB-UHFFFAOYSA-N 386.283 -0.328 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCS(C)(=O)=O)n1 2282067867 VLDQTWZKNXJUPE-UHFFFAOYSA-N 386.283 -0.331 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCCC[C@H]1CN 2282324406 OTMBYYJFLMGNBW-NSHDSACASA-N 385.299 -0.384 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]12CNC[C@H]1C2 2282334151 XVTVGUXSVQNIQI-BZNIZROVSA-N 382.295 -0.393 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)Nc2nnc(CN)o2)n1 2282830902 BNRSKMILPPBUJF-UHFFFAOYSA-N 384.227 -0.638 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1OCCCO1 2282837326 DBFZUIOWFUUSKC-UHFFFAOYSA-N 388.255 -0.844 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@H](N)CC1 2282841730 XPFFWBGIBIKYBM-XYPYZODXSA-N 385.299 -0.338 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2CO)s1 2359266485 CKWSMKYCQDQWLD-XQQFMLRXSA-N 383.275 -0.106 30 10 GBEE 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10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 593525687 VZJHBLCCQOYISE-UHFFFAOYSA-N 381.410 -0.176 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 612486213 QHEONFUCKHFDFB-KRWDZBQOSA-N 393.532 -0.331 30 10 GBEE C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 761030702 JWBGFMZSULEZDA-UHFFFAOYSA-N 380.426 -0.561 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(S(N)(=O)=O)CC2)n1 790103993 GHGQKPZLTLCSCI-UHFFFAOYSA-N 383.474 -0.593 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC(C)(C)O[C@]3(CCOC3)C2)c1=O 794696979 YBROGVIDRWHSQT-LJQANCHMSA-N 392.456 -0.229 30 10 GBEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)CC1 801874219 MXCMEYCXURABBM-UHFFFAOYSA-N 387.440 -0.061 30 10 GBEE C#CCN(CC(=O)N1CC[C@@H]2CN(C)C[C@H]21)CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 823100269 BDVZTHQFTIDBRI-MKXGPGLRSA-N 387.528 -0.753 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)COc1cccc(C#N)c1 857725803 CHOSHRSFPLCKBD-JSGCOSHPSA-N 386.364 -0.369 30 10 GBEE 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C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1668154046 PVEIODLUUSYHHA-CYBMUJFWSA-N 396.469 -0.111 30 10 GBEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1 1740963542 OCYGGYZKVJWSRW-CYBMUJFWSA-N 389.460 -0.596 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760523257 RGMXTJZTJIZJKP-SFHVURJKSA-N 382.428 -0.246 30 10 GBEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc(=O)n(C)n3)C(=O)C2)C1 1854998112 NBQFAWFQJAYVAL-HUUCEWRRSA-N 386.456 -0.169 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2267462897 YDVRZRCWLITQFD-QWRGUYRKSA-N 387.288 -0.065 30 10 GBEE Cn1cc(C(=O)NCCCCS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)n1 2281965864 FPCKPJUKAHANJR-UHFFFAOYSA-N 386.283 -0.482 30 10 GBEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H]2COC[C@H]2S(C)(=O)=O)OC1(C)C 2281985461 LZFUFJYIUFPCFI-GHMZBOCLSA-N 385.251 -0.749 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ncccn1 2282350158 JMYDAFKRJNQEIY-UHFFFAOYSA-N 379.251 -0.012 30 10 GBEE 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C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 1327750414 ADOTVTAPUDBWBZ-MCIONIFRSA-N 375.491 -0.683 30 10 GBEE C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 1349253624 YTDDZAGVHDASHY-CQSZACIVSA-N 386.518 -0.459 30 10 GBEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1360206832 JMPGIXSHZCVFPX-HNNXBMFYSA-N 376.400 -0.065 30 10 GBEE N#Cc1ccc(NCC(=O)NCC(=O)NCC(=O)NCc2ccccc2)nc1 1455566723 BEIULQNPKYYFPM-UHFFFAOYSA-N 380.408 -0.086 30 10 GBEE N#CCCN1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 1471237257 MHJRAEBJWXEEOX-MRXNPFEDSA-N 397.435 -0.025 30 10 GBEE C[C@@]1(C#N)CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CCO1 1636284173 KOPGQYSEIJQVNO-KBXCAEBGSA-N 376.388 -0.131 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)CC1 1636479493 CAGDXXCWIBSXDP-LBPRGKRZSA-N 383.478 -0.857 30 10 GBEE CONC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1638759028 VBNZRUGCSCTESU-UHFFFAOYSA-N 381.414 -0.748 30 10 GBEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 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10 GBEE C[C@@H]1CN(CCCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@@H](C)O1 527653536 LZVVTYYZRBZCMB-CHWSQXEVSA-N 390.444 -0.114 30 10 GBEE CCN1CN(S(=O)(=O)c2cccc(S(=O)(=O)N[C@@H](C)C#N)c2)CC1=O 569708089 IKDLOERMESZFLF-NSHDSACASA-N 386.455 -0.313 30 10 GBEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cccc(C#N)n1 579955643 BQKGCRYSHCCCAB-RFHZTLPTSA-N 386.364 -0.157 30 10 GBEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 599692535 VEBVMTLJQDKUQF-DLBZAZTESA-N 399.561 -0.060 30 10 GBEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(CCN(C)CC3)C2=O)n1 788370705 XBISUIMVGAMSFW-UHFFFAOYSA-N 388.472 -0.062 30 10 GBEE CCc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1S(=O)(=O)N1CCOCC1 816694216 ARHKDBNSTIBWQW-AWEZNQCLSA-N 397.453 -0.010 30 10 GBEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 848133116 ZSGZBALRYPRMHF-FNFFVJSTSA-N 382.417 -0.605 30 10 GBEE C=CCc1ccc(OC[C@H](O)CN2CCN3[C@H](CNS3(=O)=O)C2)c(OC)c1 933104749 WZNLIOOHOKVYIQ-HZPDHXFCSA-N 397.497 -0.002 30 10 GBEE 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381.498 -0.232 30 10 GBEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1332038778 WILDVPLYXSFCGQ-CABCVRRESA-N 376.461 -0.601 30 10 GBEE C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CC1 1349253623 YTDDZAGVHDASHY-AWEZNQCLSA-N 386.518 -0.459 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)cccc2C#N)CC1 1464370093 RZPLAGFRIXVTPU-UHFFFAOYSA-N 382.467 -0.359 30 10 GBEE N#Cc1ncn(CC(=O)NCCNC(=O)c2ccc(Br)cn2)n1 1470063288 AJBXSLRYMMMBBF-UHFFFAOYSA-N 378.190 -0.147 30 10 GBEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1507529583 SPAZGMIBWZMXHX-BLLLJJGKSA-N 376.442 -0.257 30 10 GBEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)CCO1 1521128868 HBDKTWFPTGTUPR-KGLIPLIRSA-N 390.444 -0.207 30 10 GBEE C=CCCn1cc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1572343480 YHOOEMXEQNCGJB-YAWIJTDMSA-N 375.429 -0.516 30 10 GBEE O=C1C=COC2(CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)C1 1598208120 HNXLUIDNNRAOJE-KBPBESRZSA-N 396.465 -0.114 30 10 GBEE 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C#CCCN1CC[C@H](NC(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2204220663 RYZSVGQWADLYBH-DOXZYTNZSA-N 381.473 -0.067 30 10 GBEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2281963623 NQPYBTXMLPJHOD-WVWOOGAGSA-N 383.275 -0.059 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(C)CCCO1 2282328239 UXINLSZFUUSGRM-OAHLLOKOSA-N 386.283 -0.038 30 10 GBEE C=C(CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2282494713 BIORVCLMKUSLNL-CHWSQXEVSA-N 385.295 -0.252 30 10 GBEE CN(Cc1ccno1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282837667 WKSCKRFUYGCUMY-UHFFFAOYSA-N 383.239 -0.077 30 10 GBEE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282857561 JVVIPTNFBXTXBD-MNOVXSKESA-N 387.267 -0.901 30 10 GBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CS(C)(=O)=O)C(=O)O)C1 2335439639 BMHUDKOFVYGVTN-CSJGVYOVSA-N 388.442 -0.093 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2337394978 SUNINZUIBNZDFZ-ZJUUUORDSA-N 388.276 -0.670 30 10 GBEE 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1722425002 IKGZXIOMFSXGEB-ZDUSSCGKSA-N 398.427 -0.191 30 10 GBEE C#CCN1CCC(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739047906 UWRIEVHQTMZMCR-QKDSSNGWSA-N 389.496 -0.310 30 10 GBEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1747608165 RXSDSWUQTDSSHV-CHWSQXEVSA-N 384.462 -0.250 30 10 GBEE C#CCN(c1nnc(C2CC2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 1748814367 DUGBLFHDFHWAFR-QAPCUYQASA-N 393.513 -0.151 30 10 GBEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CN2CCOC2=O)C1)[C@H]1CCN(C)C1=O 1857274691 QTROTMGBGXTKDK-KBPBESRZSA-N 378.429 -0.468 30 10 GBEE CC#CCN1CCN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 2279136217 AVHQGOFIVPYNHA-HNAYVOBHSA-N 381.473 -0.113 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC(=O)CC1 2282330036 UUEJPOUKXHWNGL-UHFFFAOYSA-N 384.267 -0.770 30 10 GBEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@H]1CN 2282350778 RTEKFHVSKWSBPH-NWDGAFQWSA-N 384.311 -0.065 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCc2ncc[nH]2)n1 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FTNLGWXJFGSMAO-TZMCWYRMSA-N 392.265 -0.611 30 10 GBEE CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@@H](O)C1 349484297 XYFNPXGSBYGDPT-LBPRGKRZSA-N 389.455 -0.788 30 10 GBEE C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 474799289 GUULHBNEHYMKLP-UHFFFAOYSA-N 376.479 -0.517 30 10 GBEE C=CCNC(=O)CN1CCN(CC(=O)NC2(C(=O)OC)CCCCC2)CC1 532894423 HTUYBIDOGWMQRE-UHFFFAOYSA-N 380.489 -0.102 30 10 GBEE CN(CCN1CCCS1(=O)=O)C(=O)C(=O)NCc1ccc(CC#N)cc1 592343007 XHDRYBWFYRVQGG-UHFFFAOYSA-N 378.454 -0.137 30 10 GBEE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 595184895 FSMVCBIWTNDPCK-OCCSQVGLSA-N 378.454 -0.123 30 10 GBEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 604002995 SCSHHXBSYDKLGN-UHFFFAOYSA-N 390.428 -0.247 30 10 GBEE C=CCOCCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 659666272 WMFOANCXTVXVAC-ZDUSSCGKSA-N 381.429 -0.381 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@]23C[C@H]2COC32CCC2)CC1 933912073 KQQSLUDLYIDJCC-HNAYVOBHSA-N 390.484 -0.492 30 10 GBEE N#CC1(NS(=O)(=O)CCCCS(=O)(=O)N2CCC3(COC3)C2)CC1 1118506571 PCSZKPSWRZWTNE-UHFFFAOYSA-N 377.488 -0.206 30 10 GBEE C=CCn1c(N2CC[C@@H]3OCC(=O)N[C@H]3C2)nnc1[C@@]1(C)C[C@@H](O)CN1C 1121608393 TXOCPPWXWBTIQB-KHSSZTOVSA-N 376.461 -0.531 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1325592463 SAPSBKNVOJJDDQ-IRXDYDNUSA-N 380.404 -0.364 30 10 GBEE C=CCn1c([C@@H](O)CC)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1340312874 OLMYRHYYKYZRCG-HNNXBMFYSA-N 378.477 -0.112 30 10 GBEE C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1342010085 BPAMCCXRAWLRLT-MRXNPFEDSA-N 392.504 -0.242 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1C(=O)CCC1=O 1347163960 FEPSVFAPGNMVAD-XGUBFFRZSA-N 375.425 -0.188 30 10 GBEE N#Cc1ccc(CNC(=O)C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1349165385 MQDNMBAUMQDYIT-QGZVFWFLSA-N 377.422 -0.409 30 10 GBEE CCc1noc(C[C@]2(O)CCCN(C(=O)C(=O)N3CC[C@@](F)(C#N)C3)C2)n1 1351422359 NRGUPQKDLUMQDY-IAGOWNOFSA-N 379.392 -0.008 30 10 GBEE N#C[C@]12CN(CC(=O)N3CCN(Cc4ccco4)CC3)C[C@H]1CS(=O)(=O)C2 1460881941 LXMCAPXUHPRRCN-MAUKXSAKSA-N 392.481 -0.206 30 10 GBEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCS(C)(=O)=O 1690275052 REMLSBAHMFKATA-NSHDSACASA-N 379.508 -0.055 30 10 GBEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCS(C)(=O)=O)CC1 1760251856 JPKQBULNFFXEDW-UHFFFAOYSA-N 396.517 -0.394 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOCC1 1760521270 OEFQPENBVHPQJE-CQSZACIVSA-N 391.476 -0.700 30 10 GBEE Cn1c(=O)c2cc(S(=O)(=O)NCC#CCN3CCCC3)ccc2n(C)c1=O 1849748793 WUGUILDYEDXLTR-UHFFFAOYSA-N 390.465 -0.385 30 10 GBEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCS(N)(=O)=O 2282030229 CDGMRQFGYSNJJD-UHFFFAOYSA-N 386.283 -0.437 30 10 GBEE C[C@H]1CCN[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282339721 WRBAXCKUGCJFBH-NWDGAFQWSA-N 384.311 -0.004 30 10 GBEE C=CC[C@@H](CO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282838320 MSVJFIORCACRIY-LLVKDONJSA-N 386.283 -0.423 30 10 GBEE CN1C[C@@H](O)[C@H](NS(=O)(=O)c2ccccc2B2OC(C)(C)C(C)(C)O2)C1 2282845091 MYSLMOHUOPHSHB-ZIAGYGMSSA-N 382.291 -0.061 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(OCCO)C1 2282854831 WMKZSUXMMMTQES-UHFFFAOYSA-N 387.267 -0.899 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(CO)CNC3)cc2)OC1(C)C 2282864023 BLZKXNPAJCCCSU-UHFFFAOYSA-N 382.291 -0.154 30 10 GBEE CC[C@@H](C(=O)O)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284415542 OXHUMAMEJCYECJ-VIFPVBQESA-N 388.255 -0.402 30 10 GBEE CNCC(C)(C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2288922492 JVCBNUOZQHLNOC-UHFFFAOYSA-N 387.315 -0.267 30 10 GBEE C[C@@H](C#N)N1CCN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 2357503541 LFIIRBMWMGJTRZ-SUNYJGFJSA-N 382.461 -0.225 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2358807580 VOCRNFGRGMKGEJ-ZZRRNANISA-N 381.429 -0.141 30 10 GBEE N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 349461375 HLTNEHFJDMMFKY-UTWWPYJBSA-N 395.528 -0.771 30 10 GBEE Cn1nccc1C1=CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC1 349477056 QDTCIXHASCNQOH-UHFFFAOYSA-N 387.487 -0.328 30 10 GBEE COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)n2)c1C 434578165 SRPIOVVYGVFSMK-CYBMUJFWSA-N 399.411 0.036 30 10 GBEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)n1 435235483 MZHQPCXAGXSHCE-IBGZPJMESA-N 396.382 0.560 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3nc(C)nn3c2)CC1 514637079 MLQFJFKNFOGUJS-UHFFFAOYSA-N 385.428 -0.577 30 10 GBEE CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 580845010 WRFUTFXZLPUQGQ-CYBMUJFWSA-N 386.455 -0.612 30 10 GBEE CN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 584665620 UBAIIAJZFLBOHS-CYBMUJFWSA-N 398.466 -0.470 30 10 GBEE COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 593560206 QSXUKAASCAZMRV-CQSZACIVSA-N 397.453 -0.342 30 10 GBEE CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc(C#N)cc2F)CC1 610657827 DTDHWSSORGJRMB-UHFFFAOYSA-N 376.435 -0.391 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 666004193 VZJDMOQQHZHVED-OAHLLOKOSA-N 388.490 -0.822 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)n1 790105745 BJOBXFICXSLADG-QGZVFWFLSA-N 389.456 -0.382 30 10 GBEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3nnc(CO)c3C2)c1 816682648 FAKPBTSYHIXKJW-UHFFFAOYSA-N 375.410 -0.662 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)n1 845422467 BMHOULNGPWLXSJ-CQSZACIVSA-N 383.474 -0.292 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 849492785 YLLRQHXCXSRLCQ-QZTJIDSGSA-N 388.516 -0.098 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1OC 941975650 SCUKUZVJVACRGR-BORJPKMPSA-N 379.457 -0.068 30 10 GBEE CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(N)c1 1179654889 ATAOQMXDRKSWJX-ZUZCIYMTSA-N 383.451 -0.317 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccnc(OC)c2)CC1 1313120291 OXRSRXFRKIOXGS-UHFFFAOYSA-N 381.458 -0.573 30 10 GBEE N#C[C@H]1CN(S(=O)(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)CCO1 1333588257 UTKNXJPXYCLYDJ-JTQLQIEISA-N 392.484 -0.777 30 10 GBEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1469533226 AKBZQNNDMBKPEE-CZUORRHYSA-N 382.428 -0.213 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NCC(=O)N2CCCC2)[C@@H]1C 1489290481 HKJVHWRFDWSSQU-NCOADZHNSA-N 392.500 -0.105 30 10 GBEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1503370143 ASNDOWMQUPKXBD-LBPRGKRZSA-N 384.400 -0.258 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](F)COC)CC1 1539447898 YQSVMADXKZMSBB-CABCVRRESA-N 399.492 -0.080 30 10 GBEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C 1540863005 NLUWCCRCPHRJQH-NWDGAFQWSA-N 386.478 -0.584 30 10 GBEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)NC 1546489863 FYVFRFAJWAOOEL-UHFFFAOYSA-N 391.457 -0.075 30 10 GBEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1593636397 LFBCRQFMXMZRFP-MJBXVCDLSA-N 399.473 -0.251 30 10 GBEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)CC2=O)cc1 1597327034 CWGYGFKSOQMAMZ-UKRRQHHQSA-N 389.437 -0.728 30 10 GBEE C#CCNC(=O)[C@H](C)NC1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1672464054 JSJWEZAYHOCTRK-HPBDAGMYSA-N 376.501 -0.138 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](COC)[C@@H]2CCCOC2)CC1 1676114447 ZDTKQRIAQKVKLQ-CABCVRRESA-N 388.490 -0.777 30 10 GBEE C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)OC 1740987370 SSCNAQVPOZZPIA-SNVBAGLBSA-N 381.480 -0.513 30 10 GBEE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC#CCN1CCOCC1 1889830368 RCAGMIJUYNMPGO-UHFFFAOYSA-N 386.364 -0.357 30 10 GBEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC#N)[C@@H]2CS(=O)(=O)C[C@@H]21 2054405199 JLGOVGXSNRWTGB-NWDGAFQWSA-N 393.487 -0.052 30 10 GBEE COCC[S@](=O)CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2282045575 YTXDAERRQSGLRT-AREMUKBSSA-N 385.295 -0.156 30 10 GBEE Cn1cc(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)nn1 2282851257 ZNCJIHNECJWHHX-UHFFFAOYSA-N 382.255 -0.674 30 10 GBEE CNC[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282854031 MIGPPULUHPTIIT-GFCCVEGCSA-N 384.311 -0.051 30 10 GBEE COC[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2319398385 OGZUTJKYNGSDET-BLLLJJGKSA-N 376.475 -0.204 30 10 GBEE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2S(=O)(=O)N2CC(C#N)C2)C1 2379899659 OXLXHEQXFBEWMK-CYBMUJFWSA-N 399.473 -0.646 30 10 GBEE Cc1cn2c(n1)CN(S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1)CC2 349510387 ZCJNFWGERSGTKN-UHFFFAOYSA-N 387.487 -0.297 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2[C@H]3CC[C@H]2CN(CC)CC3)CC1 410927880 UUBIYUWTHQDIIP-IRXDYDNUSA-N 391.516 -0.482 30 10 GBEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 418757192 DNHUUXAGBHKRSK-OAHLLOKOSA-N 393.469 -0.437 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(COC)CCCC2)CC1 422457167 VWRCWNJIWYZZCL-UHFFFAOYSA-N 380.489 -0.244 30 10 GBEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 466984143 YDRVFFNIPAVMCH-LLVKDONJSA-N 393.429 -0.151 30 10 GBEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 602824286 HIRSPGQAXYIUSD-INIZCTEOSA-N 390.440 -0.020 30 10 GBEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)c1 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10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 1175514837 JKIXBIJVCDDSDF-UHFFFAOYSA-N 384.389 -0.112 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 1261397160 TWXQYWITJPQXSO-RTBURBONSA-N 385.464 -0.093 30 10 GBEE C#CCN(c1nnc(C)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1286382650 JWYPWDQSXKUQFK-ZDUSSCGKSA-N 389.503 -0.895 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1286788278 TUXOZUDSVQBHKE-ZDUSSCGKSA-N 385.490 -0.045 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3ccnn3)o2)CC1 1302924808 SGVAXFRATYBVGZ-UHFFFAOYSA-N 378.414 -0.855 30 10 GBEE C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1CCN2CCOC[C@@H]2C1 1340367313 SHPSZPQQYAWKBG-UONOGXRCSA-N 378.502 -0.241 30 10 GBEE C#CCN(c1nnc(C[C@@H](C)O)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1349161358 HNMCOOMPPFSPGO-RBSFLKMASA-N 382.486 -0.135 30 10 GBEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS(=O)CC1 1359331420 YKHJCCSHRSMATC-UHFFFAOYSA-N 396.498 -0.095 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCN(C)C2)CC1 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30 10 GBEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1740985168 CVKUSSKOGZAVMX-ZDUSSCGKSA-N 396.473 -0.254 30 10 GBEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749682940 DMZWEXQKVZVXNQ-CHWSQXEVSA-N 375.433 -0.354 30 10 GBEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNS(C)(=O)=O 1763018378 PLAWHWUYHKGSKP-UHFFFAOYSA-N 391.457 -0.075 30 10 GBEE CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1771367393 UJFOFHKMAFBMNE-UONOGXRCSA-N 398.489 -0.160 30 10 GBEE N#C[C@H]1CN(c2nnc(C3CCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771536706 AIEXAMZYEVEXGG-BBRMVZONSA-N 381.458 -0.176 30 10 GBEE CN(C(=O)c1nccc(N2CCOCC2)n1)C1CN(c2nccnc2C#N)C1 1848667622 PCAFBPLBGLMDEA-UHFFFAOYSA-N 380.412 -0.064 30 10 GBEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)NC1CCN(CC#N)CC1 2184060554 YSUCCUNLMUHPIO-SOUVJXGZSA-N 382.461 -0.178 30 10 GBEE CC(C)(C)OC(=O)NC(CO)(CO)CN=C1NS(=O)(=O)c2ccccc21 2270654549 QLXAXTWIMNVISE-UHFFFAOYSA-N 385.442 -0.027 30 10 GBEE 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GBEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)C1 834511403 LEJHMTJHBLWRJU-MELADBBJSA-N 381.458 -0.080 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 930119144 OSIGAZGSQHLANK-INIZCTEOSA-N 392.481 -0.007 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1121602040 MMXGOFDXBNFOMK-XQLPTFJDSA-N 397.501 -0.285 30 10 GBEE C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC 1301569202 SQVZPJUNQVRTGF-NSHDSACASA-N 379.508 -0.055 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[C@@H]1CCS(=O)(=O)C1 1321625850 QWRAWQPAFAEZEV-OAHLLOKOSA-N 387.421 -0.145 30 10 GBEE C=CCO[C@@H]1CCN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1 1322604554 FFARAQBPVPIPDV-MRXNPFEDSA-N 380.489 -0.151 30 10 GBEE C#CCNC(=O)CN1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1327083244 RTEWWUVCAPJHLW-UQZKUAJDSA-N 386.496 -0.622 30 10 GBEE C=CCN(C(=O)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1)[C@H](C)COC 1335034044 IFVHZXOPCXYXEK-KGLIPLIRSA-N 375.491 -0.176 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CCO1 1345896843 PYYGNSXKAOCSJZ-NEPJUHHUSA-N 379.394 -0.912 30 10 GBEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNS(C)(=O)=O)CC1 1539444953 YNVWTYBWIPTAGW-UHFFFAOYSA-N 391.501 -0.412 30 10 GBEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1570480623 TWRRAYCLLDBGIY-ISOHDOPZSA-N 378.385 -0.817 30 10 GBEE C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2csnn2)N1C 1614388692 KFYJDTKWLPLSCF-FMKPAKJESA-N 376.486 -0.559 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(C(C)C)[nH]2)CC1 1665750683 OCHFOKHQZPPURR-UHFFFAOYSA-N 375.476 -0.693 30 10 GBEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)N(C)C 1723770922 CFIYFKGGYURZRE-RYUDHWBXSA-N 383.478 -0.141 30 10 GBEE Cc1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742805711 CTPUSBYROMQVJA-WXWBBQJKSA-N 385.428 -0.171 30 10 GBEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C1CC1 1748847833 XJJVGQRHECFDGV-OAHLLOKOSA-N 389.481 -0.221 30 10 GBEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1=O 1853787874 CANGNEJWBIGKDX-GJZGRUSLSA-N 387.440 -0.370 30 10 GBEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cn2cnnn2)C1)[C@H]1CCN(C)C1=O 1857068041 LNBTZTLBXHQBAR-KBPBESRZSA-N 375.433 -0.843 30 10 GBEE C=CCNC(=O)c1nc(C(=O)N2CCO[C@H](C(=O)N3CCOCC3)C2)cs1 1891566776 GKMNDLCIXYKLIQ-ZDUSSCGKSA-N 394.453 -0.241 30 10 GBEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)S(N)(=O)=O 2255634572 SZGBCVQCFJILSL-QMMMGPOBSA-N 375.281 -0.151 30 10 GBEE CC1(C)OB(c2cccc(N3CCN[C@@H]4CS(=O)(=O)C[C@H]43)n2)OC1(C)C 2281504559 IUVSRROGKKYPOO-CHWSQXEVSA-N 379.291 -0.044 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CNC[C@@H]3O)c(F)c2)OC1(C)C 2282309833 LJHZGBZLEQBXJT-OLZOCXBDSA-N 386.254 -0.264 30 10 GBEE CCN1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282327482 IQVLHWPMZWYIDM-UHFFFAOYSA-N 385.299 -0.560 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H]2C[C@H](O)[C@H]2C1 2282344339 VRIMBMCEKGHNDS-SRVKXCTJSA-N 383.279 -0.279 30 10 GBEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1CNC[C@H]1O 2282511136 KBUNOWIEZQNOLW-ZIAGYGMSSA-N 382.291 -0.095 30 10 GBEE Cn1cc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)nc1B1OC(C)(C)C(C)(C)O1 2282552807 SPMHLQNFUSGXSS-NSHDSACASA-N 383.279 -0.022 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NCC3(CO)CNC3)c2)OC1(C)C 2282844939 KWFJLEQETQPNMM-UHFFFAOYSA-N 382.291 -0.154 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CC[C@@H]1C(=O)O 2284401888 KJBFRTCUHJZJTA-IUCAKERBSA-N 386.239 -0.744 30 10 GBEE C#CC(CO)(CO)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2290341984 AJVRWSQXAHTWQL-UHFFFAOYSA-N 381.259 -0.379 30 10 GBEE C/N=C(/NCCC(=O)N1CCN(C)CC1)N1CCO[C@H](c2cnn(C)c2)C1 261782664 PMLXZTTWRJUFSF-INIZCTEOSA-N 377.493 -0.467 30 10 GBEE N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)C2)nc1 297807119 MJBYDZPJGMGEPJ-KXBFYZLASA-N 386.408 -0.049 30 10 GBEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 425889434 MMEQPNMAIMXBRU-IHRRRGAJSA-N 375.429 -0.343 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC(C)(COC)CC2)CC1 459882662 GQYBDSRASNTTHP-UHFFFAOYSA-N 380.489 -0.292 30 10 GBEE CNS(=O)(=O)NC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 463190483 DGMHSRDOVONWNL-UHFFFAOYSA-N 386.499 -0.150 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(C)cc(C)nc2O)CC1 549800944 YZYYEEYDDIGSMJ-UHFFFAOYSA-N 389.456 -0.533 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC2(CCCOC2)C1 594636264 CYDNUOUQQUFJJT-ZDUSSCGKSA-N 379.504 -0.008 30 10 GBEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CCO1 598624388 CEJZQNUSAIQHKM-CYBMUJFWSA-N 397.432 -0.484 30 10 GBEE C#CCN(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCS(=O)(=O)C1 774215117 YPOWDNSGFZBTFJ-GHMZBOCLSA-N 381.376 -0.019 30 10 GBEE Cn1cc(S(=O)(=O)NN=Cc2ccc(C3(C#N)CC3)cc2)c(=O)n(C)c1=O 853324167 WQRBXSSJYHXSFR-UHFFFAOYSA-N 387.421 -0.048 30 10 GBEE COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3c2CCC3)c(=O)n1C 853451081 YKBHMTWANSCLSN-UHFFFAOYSA-N 387.465 -0.755 30 10 GBEE C#CCN1CCC(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 921438003 NUTDNSAEANNAQV-UHFFFAOYSA-N 377.532 -0.325 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)CC1 1175515127 SIKZRXIOUOYUNQ-AWEZNQCLSA-N 394.428 -0.137 30 10 GBEE C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1282686154 LCDJDXINPRQWKL-CRWXNKLISA-N 378.429 -0.233 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(OC)CCOC2)CC1 1300698445 SQDVHOXBZAADOF-KXBFYZLASA-N 388.472 -0.210 30 10 GBEE N#Cc1cccnc1N1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 1318285724 CYIKZYLAYHRMFX-UHFFFAOYSA-N 384.483 -0.018 30 10 GBEE C#CCN(C(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1)C1CCN(C)CC1 1333118530 MCCOGXWWKUJUHG-MRXNPFEDSA-N 391.516 -0.754 30 10 GBEE CCc1noc(C[C@@]2(O)CCCN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)C2)n1 1335005200 GOMSTUGVTQJSGS-SJCJKPOMSA-N 377.401 -0.721 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN(S(=O)(=O)CC)CC1 1339497110 JZYURTZMKVVFFH-AWEZNQCLSA-N 384.506 -0.061 30 10 GBEE N#C[C@@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCN1C1CC1 1351706022 NBPBSANKUMTDCN-OAHLLOKOSA-N 381.444 -0.066 30 10 GBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 1490799824 BEDIHJFKTKEMQV-TUVASFSCSA-N 375.433 -0.608 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1507670206 ZMIVKOVSCSEDRJ-AWEZNQCLSA-N 387.469 -0.180 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3C)nn2)CC1 1558075178 OTAPUYPJLAHSKX-UHFFFAOYSA-N 388.453 -0.199 30 10 GBEE N#C[C@]12CN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1627136197 AYCOKBLXOJQTKZ-KPZWWZAWSA-N 399.432 -0.018 30 10 GBEE O=C1NCC[C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]12 1643488859 TZDULWMYBWOJRA-XHDPSFHLSA-N 376.438 -0.148 30 10 GBEE C[C@@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCN(CC(=O)NCC#N)C1 1671896698 BNUCDMNFRRXVBG-BVYOLEPJSA-N 378.473 -0.104 30 10 GBEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1698493324 PZNHQVCSTRGSNV-RWMBFGLXSA-N 389.416 -0.153 30 10 GBEE C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(=O)NCC(F)F 1740370069 ZHNFEOHBBMUZSW-MQYQWHSLSA-N 382.411 -0.287 30 10 GBEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cncn1 1760209388 BJNULHGDLVXYFN-AWEZNQCLSA-N 390.473 -0.357 30 10 GBEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760523014 JPYHNXFCBSLEMS-CQSZACIVSA-N 385.428 -0.407 30 10 GBEE CC1(C)OB(c2ccccc2C(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)OC1(C)C 2281942153 ZUESOCSJJRJRNO-UONOGXRCSA-N 381.259 -0.127 30 10 GBEE CC[C@@H]1CNCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282305252 WFFMJOQEERCTJP-LLVKDONJSA-N 385.299 -0.513 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N[C@H]2CNC[C@@H]2O)OC1(C)C 2282328459 XWCMLTJCCWXRAY-STQMWFEESA-N 386.254 -0.264 30 10 GBEE CNC(=O)CN(C)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282871706 KYPRHOIQIKRZST-UHFFFAOYSA-N 386.283 -0.606 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](F)C(=O)O 2284398474 YMIAFDPSMMSAJA-SECBINFHSA-N 391.230 -0.190 30 10 GBEE CC1(C)OB(c2sncc2C(=O)N2C[C@H](O)[C@H](O)[C@@H]2C(=O)O)OC1(C)C 2362570619 BAMCUKQXXVTZAK-AEJSXWLSSA-N 384.219 -0.927 30 10 GBEE 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C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)c1 1471901379 YRQXUVMYNMGSLP-UHFFFAOYSA-N 399.494 -0.248 30 10 GBEE CCc1nnc(N2CCS(=O)(=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546557407 PEQFVSSHBCFIMI-CCEZHUSRSA-N 394.457 -0.398 30 10 GBEE C[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)C1CCOCC1 1565629687 GBEQCMXIXSZYFM-NLPIWRNCSA-N 385.442 -0.389 30 10 GBEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1565701912 PEBYVYNXIGMGNT-RAJOGRCSSA-N 391.472 -0.574 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)CC1 1636480070 KRJXYEUFNBVVNJ-QWHCGFSZSA-N 386.474 -0.489 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1 1656637645 JFABHZWLGQSHIS-UHFFFAOYSA-N 398.466 -0.257 30 10 GBEE COC(=O)C1(C#N)CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 1683359700 CBQQGXDCRVHTDX-UHFFFAOYSA-N 388.446 -0.863 30 10 GBEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1740553766 UKRNHKSPGXIUEE-UONOGXRCSA-N 397.501 -0.016 30 10 GBEE N#CCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CCC(F)(F)F)C2)CC1=O 1856035727 UWRBEURVNJWNPY-NSHDSACASA-N 396.391 -0.073 30 10 GBEE CON(CC(=O)O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2269017975 YVAZGFCNWFZDTP-UHFFFAOYSA-N 375.212 -0.644 30 10 GBEE C[C@H]1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282045759 BHPFILZKHVRODA-NSHDSACASA-N 383.279 -0.022 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 2282327186 DQYJMEORIUTSKW-MXWKQRLJSA-N 384.267 -0.430 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1=CCNCC1 2282348643 NMMKLGFSQRXCGQ-UHFFFAOYSA-N 382.295 -0.083 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCS1(=O)=O 2282693077 ITZJWSNZZVSKMW-JTQLQIEISA-N 384.267 -0.579 30 10 GBEE C=C[C@@H](NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398274 WDYUYTRHEKSHLG-SNVBAGLBSA-N 385.251 -0.055 30 10 GBEE CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349483303 QONCKDPSIICXFL-GFCCVEGCSA-N 397.544 -0.709 30 10 GBEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C)CC1 508242613 POWFQHSBRJUZNP-UHFFFAOYSA-N 384.444 -0.113 30 10 GBEE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1F 599508093 ULJHMLFZGVDYLG-NSHDSACASA-N 377.419 -0.364 30 10 GBEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C 685550836 CUMWCGQIYPYATD-CHWSQXEVSA-N 398.489 -0.536 30 10 GBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@H]2C(F)(F)F)c1=O 739872738 ZKNMXUCYMVYJIN-NSHDSACASA-N 376.335 -0.236 30 10 GBEE C#C[C@H]1COCCN1S(=O)(=O)c1c[nH]c(C(=O)N2CCOC[C@H]2C#C)c1 841548615 JFICVRANKYNCSY-KGLIPLIRSA-N 377.422 -0.488 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3c(OC)cccc23)CC1 913788482 FSLLCZFBZOXYKP-UHFFFAOYSA-N 377.426 -0.432 30 10 GBEE C=CCN1CC[C@H](N2CCNCCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O 923394180 GBEQBSOKWFKFIF-ROUUACIJSA-N 375.517 -0.233 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CCN1C1CC1 1119115137 DDNWCXKAOGIJNB-QGZVFWFLSA-N 398.467 -0.267 30 10 GBEE C=CCn1c([C@H]2COCCN2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1121602075 NDBSVPRLPOAVBZ-MRXNPFEDSA-N 389.504 -0.132 30 10 GBEE CN1CC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H](c2cnn(C)c2)C1 1134056806 VKDSPJXORANKSU-OVWQWFNUSA-N 391.497 -0.148 30 10 GBEE C[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](C)[C@@H]1O 1327392228 WDXUXHKHSQHGFD-CTASWTNQSA-N 386.456 -0.139 30 10 GBEE N#C[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1328339345 KHAYLAHWVMIUED-RYUDHWBXSA-N 379.394 -0.376 30 10 GBEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CCOCC3)CO2)C1=O 1335602767 SQVPULKNXYLLLL-HUUCEWRRSA-N 379.457 -0.066 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCN1C1CC1 1349054669 GLSOQEJDVBCYOK-OAHLLOKOSA-N 385.424 -0.634 30 10 GBEE CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1349698926 UXDOMWIWAVDSGV-HNNXBMFYSA-N 396.469 -0.506 30 10 GBEE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1446912664 BHYWKZAUMWLQJT-PWSUYJOCSA-N 381.410 -0.750 30 10 GBEE COC(=O)/C=C1\SCC(=O)N1CCCN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460884370 UDBFAOIPEBLOTC-QCMXCRPXSA-N 399.494 -0.164 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1O 1513525821 RTAHJQSYDHBXNZ-IVSAIRAKSA-N 379.457 -0.476 30 10 GBEE C#CCN1CCN(c2nnc(-c3cn(CCO)nn3)n2C[C@H]2CCCO2)CC1 1525093381 YRYGKHVDUUCAKD-OAHLLOKOSA-N 386.460 -0.537 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1574600560 CLPSZJZEJKHIKJ-JJTUDDRGSA-N 383.452 -0.089 30 10 GBEE C#CCN(c1nnc(C)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588034742 LGMDSRCTAWKEQA-LLVKDONJSA-N 393.391 -0.108 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cc(C)no3)CCOCC2)CC1 1644285098 HWHDDICVNYRDSN-UHFFFAOYSA-N 396.469 -0.357 30 10 GBEE Cc1cc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)ncc1C#N 1672164029 FVLLTLOKQRWNCX-UHFFFAOYSA-N 384.400 -0.244 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2nncn2C)C(C)C)CC1 1682415682 FJXKSWOEDKDNKG-ZDUSSCGKSA-N 383.478 -0.693 30 10 GBEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1690497172 JEXAIRQXXOJLBS-AWEZNQCLSA-N 394.476 -0.040 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC)CC1 1749001066 GCHVULUHGUXDLL-RDJZCZTQSA-N 390.488 -0.107 30 10 GBEE CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1=O 1767522961 NOJAUVRRWIFJEY-ICFOKQHNSA-N 385.428 -0.040 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(C3C(=O)CCCC3=O)[C@H](C)C2=O)CC1=O 1854924591 XOXIQGDFLGZUAV-CHWSQXEVSA-N 375.425 -0.229 30 10 GBEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CNOC2)OC1(C)C 2255795911 ZHDISVUEJPUFSW-VIFPVBQESA-N 375.281 -0.235 30 10 GBEE CNS(=O)(=O)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282037751 ZJJPRSOKWMHBJC-UHFFFAOYSA-N 384.267 -0.907 30 10 GBEE COC1CC(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2282298135 PXBZPNIBQIZNND-UHFFFAOYSA-N 386.283 -0.182 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCNC(=O)C3)c2)OC1(C)C 2282417147 ANSLRPPBDJMOAI-GFCCVEGCSA-N 381.263 -0.062 30 10 GBEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CONC3=O)ccc2F)OC1(C)C 2282507803 MJIICSDSNUUWJF-GFCCVEGCSA-N 386.210 -0.167 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CCC(O)(C(N)=O)CC2)OC1(C)C 2282524770 GILDVBPMACNRFO-UHFFFAOYSA-N 381.263 -0.105 30 10 GBEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2282641299 YULGZDHFCJMZAL-OLZOCXBDSA-N 384.263 -0.144 30 10 GBEE CN([C@H]1COC[C@H]1O)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854142 NXKYVYSTHIBEPS-NWDGAFQWSA-N 387.267 -0.901 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 2282857526 JKWBWBMHGHINFK-NSHDSACASA-N 383.279 -0.135 30 10 GBEE CC[C@H](CC(=O)O)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2284409762 NIRBWNDBBKSFMI-SECBINFHSA-N 388.255 -0.354 30 10 GBEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 44712103 WHRWZABPOQFAIG-UHFFFAOYSA-N 394.453 -0.342 30 10 GBEE C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 297839548 RECHMWUQEFBYFT-ZBFHGGJFSA-N 387.440 -0.400 30 10 GBEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(C[C@H]2CCCO2)c1=O 533120242 MMXWSFJBJVANAZ-CYBMUJFWSA-N 387.465 -0.446 30 10 GBEE N#C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCN1Cc1ccccc1 594532633 DNBKXPRCWSDJKJ-IPMKNSEASA-N 397.479 -0.500 30 10 GBEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCOCCCN)C2=O)cc1 599943177 JIFOWSNZONJRKK-MRXNPFEDSA-N 387.440 -0.743 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC3(CCC3)OC[C@H]2C)CC1 658828481 URIKRHSTJBEUFX-OAHLLOKOSA-N 378.473 -0.397 30 10 GBEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCN1 662505104 FNLOJXQIGSUALG-QGZVFWFLSA-N 396.469 -0.090 30 10 GBEE C=C(Br)CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 704593164 WMZPENBTXGAPIF-QMMMGPOBSA-N 376.250 -0.202 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C/Cn3cncn3)CC2)o1 850164301 XPBMPGNIVPEWTQ-NSCUHMNNSA-N 385.384 -0.106 30 10 GBEE C#CCN1CCN(C(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)CC1 852735526 IQJBVZKDIQSHOR-UHFFFAOYSA-N 382.511 -0.469 30 10 GBEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@]5(COC(=O)[C@H]35)O4)CC2)c1C#N 861244081 XHQNGTNSFSXLBU-BKEDOTJMSA-N 385.424 -0.031 30 10 GBEE C#CCN1CCN(C(=O)CN(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 879082328 CAMNZYTYDXBCDI-MRXNPFEDSA-N 382.505 -0.077 30 10 GBEE CC(C)C#CC(=O)N1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1282599076 TXKQHYSPJXMPBX-DLHZGZTKSA-N 385.464 -0.003 30 10 GBEE CC[C@]1(CO)CCCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1335060199 XKMVETPQARBKSR-SFHVURJKSA-N 389.412 -0.785 30 10 GBEE C=CCO[C@@H]1CCN(c2nnc(-c3cn(C)c(=O)n(C)c3=O)n2CCOC)C1 1342691116 PWGMZLNGJAHLRA-CYBMUJFWSA-N 390.444 -0.230 30 10 GBEE COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1348366310 MDYRWWWTLJANDZ-QWHCGFSZSA-N 386.412 -0.593 30 10 GBEE C#CCN1CCN(c2nnc(CNS(=O)(=O)CC)n2C[C@@H]2CCCO2)CC1 1517669709 JFOFGDZKHRTFQU-HNNXBMFYSA-N 396.517 -0.348 30 10 GBEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2CCCN2C[C@@H]1CO 1593721214 HEZSCLNNGAOYAJ-UONOGXRCSA-N 392.481 -0.217 30 10 GBEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(CO)(CO)C3)CC2)cc1 1634312575 XLOMDNPFAUGEMO-UHFFFAOYSA-N 393.465 -0.228 30 10 GBEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1641379246 SENACVYQZOLIFA-GFCCVEGCSA-N 387.389 -0.434 30 10 GBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@@H]2CNS(C)(=O)=O)c1 1659660516 UHRRJQXVVHVLDJ-HNNXBMFYSA-N 394.453 -0.434 30 10 GBEE C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CCOC)nn1 1686004115 BVBUXUJPBZTHKL-FQLMCAECSA-N 375.429 -0.176 30 10 GBEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cncn2)C1 1770727107 CBJVOKFMDYZIAP-IUODEOHRSA-N 394.436 -0.086 30 10 GBEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#CCN1CCOCC1 1853186628 HABBLMOMESSNRD-KRWDZBQOSA-N 379.482 -0.401 30 10 GBEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccn2)C(=O)C1 1854615833 BOZCQMFHFASCRO-UHFFFAOYSA-N 387.215 -0.018 30 10 GBEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C1CS(=O)(=O)C1 1890930876 SNTNRZJZXFIUQT-NEPJUHHUSA-N 388.442 -0.093 30 10 GBEE CC(C)(C#N)CS(=O)(=O)N1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2118170099 KZNXKVRCBXBNFJ-DTWKUNHWSA-N 384.380 -0.280 30 10 GBEE CC1(C)OB(c2scnc2C(=O)N2CC(NS(C)(=O)=O)C2)OC1(C)C 2267169120 WKSDGFUDRKYRKV-UHFFFAOYSA-N 387.292 -0.184 30 10 GBEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CCS(=O)(=O)N2)OC1(C)C 2267547591 MIXBWNCYVPBRFQ-VIFPVBQESA-N 387.292 -0.136 30 10 GBEE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282044624 VGJTWVJCEWVQMQ-JQWIXIFHSA-N 383.279 -0.118 30 10 GBEE CC(=O)NCCN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282494806 CSEBSRODKXLVSB-UHFFFAOYSA-N 386.283 -0.524 30 10 GBEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)OC1(C)C 2282614042 GHBNKCZANKRKDA-KXGXSXBTSA-N 384.263 -0.725 30 10 GBEE N#Cc1ccc(OC[C@H](O)CN2CCN(CC(=O)N3CCOCC3)CC2)cc1 299274935 XQMRUSZOBJHSAS-GOSISDBHSA-N 388.468 -0.226 30 10 GBEE CN1C(=O)[C@]2(CCN(/C(O)=N/[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)C2)N=C1O 329341494 OZXIYFMYQVHWMI-OMXAPOSASA-N 389.416 -0.564 30 10 GBEE COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 555576398 GOQQXNLULIJVQI-KGLIPLIRSA-N 379.486 -0.111 30 10 GBEE CCN1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1=O 576113461 LCZHKGMGKJLFHW-NSHDSACASA-N 378.410 -0.041 30 10 GBEE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602242911 CWSWQLBHZYRKGJ-UHFFFAOYSA-N 392.504 -0.897 30 10 GBEE C=CCn1c(-c2nnn(C)c2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669053202 AMZBWFDBIRJOJN-UHFFFAOYSA-N 395.493 -0.504 30 10 GBEE C#CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CC1 848954484 GVYNAWWFKCPOEF-UHFFFAOYSA-N 382.467 -0.572 30 10 GBEE N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC(F)(F)C[C@H]3CO)CC2)c1 1117912570 QNGSDPTWOYIRHX-ZDUSSCGKSA-N 379.367 -0.170 30 10 GBEE C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1120329134 ZWPQCCBEIHMVFT-OAHLLOKOSA-N 378.454 -0.438 30 10 GBEE C=C(C)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(C)C[C@H](O)CN1C 1122482372 LTDYKWHVKUVNMO-GLJUWKHASA-N 375.477 -0.020 30 10 GBEE COc1ccnc(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1144672064 ASSOBCIYMJIUCY-UHFFFAOYSA-N 384.396 -0.037 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 1152967817 QRMPSSRDFGRRNN-UHFFFAOYSA-N 393.425 -0.126 30 10 GBEE CC(=O)NCc1ccc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1 1189977843 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30 10 GBEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3COCCO3)C2)CC1 1855889371 PPAIUCRNMQFFTO-RDJZCZTQSA-N 399.451 -0.134 30 10 GBEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(S(=O)(=O)N3CC(C#N)C3)CCN2C1=O 2174782520 RCHUMOMFXXMHJZ-OLZOCXBDSA-N 399.473 -0.504 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H]2[C@@H]1C[C@H]2O 2282849778 GVQSVCVYAVTNNN-WCFLWFBJSA-N 383.279 -0.137 30 10 GBEE Cc1oncc1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282858690 AXOYCMBBVSGGNL-UHFFFAOYSA-N 383.239 -0.111 30 10 GBEE Cc1nc(S(=O)(=O)N2CC[C@H]2C(=O)O)c(B2OC(C)(C)C(C)(C)O2)n1C 2284396920 GTGBIEGBDBZFMV-JTQLQIEISA-N 385.251 -0.125 30 10 GBEE C[C@H](C#CC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)NC(=O)OC(C)(C)C 2318627171 STVZWWMQAJDYGK-MNOVXSKESA-N 376.431 -0.093 30 10 GBEE CC#CCN1CCN(C(=O)[C@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CC1 2358991718 HEHGWBVBDSSDQV-XHSDSOJGSA-N 381.473 -0.115 30 10 GBEE C=C(CS(=O)(=O)N1CCNC(=O)[C@@H]1C1CNC1)B1OC(C)(C)C(C)(C)O1 2379842221 MXZPIYMASNTBQI-ZDUSSCGKSA-N 385.295 -0.476 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](O)CCO 2379853964 PACGTBPWULDXES-LLVKDONJSA-N 389.283 -0.869 30 10 GBEE CC1(C)OB(c2cnc(S(=O)(=O)C[C@@H]3CCN(CCN)C3)nc2)OC1(C)C 204881446 NNIVJWZGJIFGRF-CYBMUJFWSA-N 396.322 -0.170 30 10 GBEE O=C(COS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCCCN1CCOCC1 242945453 HDZHYNRSSHWPCM-UHFFFAOYSA-N 399.425 -0.335 30 10 GBEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 506723312 FKWUEUNIMLCBLN-LBPRGKRZSA-N 382.446 -0.382 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2nc(C)c(C)s2)CC1 507513891 RUCQCDFCMBLJKQ-UHFFFAOYSA-N 393.513 -0.135 30 10 GBEE N#Cc1cn(C2CN(C(=O)NCCN3C(=O)Cc4ccccc43)C2)c(=O)nc1O 527716113 LJTQICZGFGEUMQ-UHFFFAOYSA-N 394.391 -0.024 30 10 GBEE COc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1C 530414919 IVKNTMMHYREIHM-UHFFFAOYSA-N 386.416 -0.370 30 10 GBEE N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCc4nccnc4C3)CC2)nc1 595131480 MARFEJPAKUULAV-UHFFFAOYSA-N 377.408 -0.023 30 10 GBEE C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCNC1=O 595956529 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30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@H]1CNc2ccccc2C1 1118264716 FUSODEWIUMNXBY-VLUKHXRESA-N 383.408 -0.218 30 10 GBEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1119084679 AHJRVNPINTURFY-QBPKDAKJSA-N 391.468 -0.495 30 10 GBEE O=C(CNS(=O)(=O)c1ccc(F)cc1)NCCN/C(O)=C1/N=CC=CC1=O 1144429431 UUJYWTARGCEYEL-NXVVXOECSA-N 396.400 -0.253 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 1213523368 YQPDKALQGBZVJR-UHFFFAOYSA-N 386.430 -0.529 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNC(=O)c2ccccn2)C1 1281674944 CLQAESPMLXUDLX-MIGQKNRLSA-N 388.424 -0.910 30 10 GBEE C#CCN(C(=O)C(=O)N1CCC(O)(C2CCC2)CC1)[C@H]1CCS(=O)(=O)C1 1336429291 NZBAKZGZNAEMFJ-HNNXBMFYSA-N 382.482 -0.211 30 10 GBEE CS(=O)(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H]1C(F)(F)F 1350237862 AXYADTQEAWGFFC-LNLATYFQSA-N 385.339 -0.116 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)COc2c(C)nn(C)c2C)C1 1489583641 NSRKURIJVOXPEM-WCVJEAGWSA-N 392.456 -0.305 30 10 GBEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690056230 KOWZCUUWXRMSEW-INIZCTEOSA-N 383.474 -0.575 30 10 GBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705903416 VFCVTDGRDZWXJE-CABCVRRESA-N 392.460 -0.575 30 10 GBEE C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCNC(N)=O)CC1 1719834398 OYPMSEPUYPAJNE-PMPSAXMXSA-N 375.473 -0.362 30 10 GBEE C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1719906543 MNVWJJDBBINUDG-MCIONIFRSA-N 378.429 -0.231 30 10 GBEE COC(=O)C1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2118170470 QYIUYIDZUQVNOT-NSHDSACASA-N 388.446 -0.171 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[S@@](C)=O 2255749913 ZMOLLBYYDIOMAZ-HSZRJFAPSA-N 377.297 -0.624 30 10 GBEE C=C(CS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)B1OC(C)(C)C(C)(C)O1 2267473106 AFXPRZRYBVBHCO-VXGBXAGGSA-N 395.308 -0.095 30 10 GBEE C[C@H]1OCC[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282304423 KKAGTOKYVTWXRE-GHMZBOCLSA-N 386.283 -0.182 30 10 GBEE 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30 10 GBEE CC1(C)OB(c2cnc(NC[C@@H]3CCN(C(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204884268 FTNLGWXJFGSMAO-JSGCOSHPSA-N 392.265 -0.611 30 10 GBEE CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@H]2COC[C@H]21 349576006 PBPCELDSHZRFPP-SFTQSGBHSA-N 377.488 -0.448 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCOC[C@@H]2CC(C)C)CC1 410557928 PDTHPMNVOGVCKN-INIZCTEOSA-N 380.489 -0.294 30 10 GBEE COCCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H]1CCOC1 427928380 DHIYXTNJFZAIMG-MRXNPFEDSA-N 398.423 0.400 30 10 GBEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508915972 ZGPCASJWPVSJEU-AWEZNQCLSA-N 390.444 -0.521 30 10 GBEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1(S(C)(=O)=O)CC1 565984425 XLLVTTWRKXNMMF-LLVKDONJSA-N 385.467 -0.082 30 10 GBEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)cc1 580212630 SMLCEQDYSKKYGW-AWEZNQCLSA-N 385.467 -0.024 30 10 GBEE CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 654843636 NRAGUXPPBVXIFC-KUHUBIRLSA-N 386.408 -0.088 30 10 GBEE 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C#CCN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1117054477 MUUDIVZGVHPMJP-OAHLLOKOSA-N 376.434 -0.113 30 10 GBEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286602003 RATRUMKZJKYFDH-CQSZACIVSA-N 394.476 -0.040 30 10 GBEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(O)CCOCC2)CCO1 1303003087 CIIMSTVKZTVPOO-KBPBESRZSA-N 390.444 -0.110 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccc2nc(C)nn2c1)[C@@H]1CCS(=O)(=O)C1 1324170183 ARUBIBICERDIQO-CYBMUJFWSA-N 375.410 -0.375 30 10 GBEE C#CCN(C(=O)C(=O)NCc1nn(C)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 1324521578 HKZKJQPORUYXQF-CYBMUJFWSA-N 388.449 -0.162 30 10 GBEE C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1346724988 GLYZXHYPKDVHEE-INIZCTEOSA-N 376.457 -0.155 30 10 GBEE N#C[C@@]12CN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C[C@H]1CS(=O)(=O)C2 1439612973 IQEWDZLDYSVINW-IVSAIRAKSA-N 383.470 -0.737 30 10 GBEE CC(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 1490795600 HBUIWRWVOODYAQ-YUELXQCFSA-N 382.424 -0.021 30 10 GBEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1585518625 SNJWCDDONJLEOW-YOGCLGLASA-N 397.478 -0.051 30 10 GBEE C[C@H]1C/C(=C/CO)C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O 1615974650 DJXQRYTVVBNRKB-FAQMAPJGSA-N 381.425 -0.018 30 10 GBEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1637238451 UNWRVGZSWYCIOI-HHHXNRCGSA-N 396.473 -0.366 30 10 GBEE C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OC 1638827123 RFQMFGLAFIHDER-SMDDNHRTSA-N 393.421 -0.632 30 10 GBEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)OC)C[C@H](O)C2)s1 1644331720 GUZGWNBKMMILMZ-AVCCJPFPSA-N 388.467 -0.062 30 10 GBEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1726405626 CIRMWLXKBWCMCV-HNNXBMFYSA-N 382.490 -0.176 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CC(Cn4cncn4)C3)C2=O)CC1=O 1855056285 RHFUZAICRBZBLG-CVEARBPZSA-N 386.456 -0.238 30 10 GBEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cn4cccnc4n3)CC2=O)CC1=O 1856405355 SKYFRFINDRGEOO-CQSZACIVSA-N 382.424 -0.065 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H](F)[C@H](O)C1 2267375853 NEPKGELSGYSSBX-WDEREUQCSA-N 375.231 -0.577 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](S(C)(=O)=O)C2)n1 2282032276 DMGREUFBKQFEFL-NSHDSACASA-N 383.279 -0.022 30 10 GBEE C[C@H]1CCOC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282323197 XDCBXLUSOKRHER-WDEREUQCSA-N 386.283 -0.182 30 10 GBEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@H]1CCNC1 2282331127 JWEVZKYYQLMUOI-NEPJUHHUSA-N 384.311 -0.004 30 10 GBEE C[C@@H](C1CNC1)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282848728 RAVXKXWYSKFZOA-NSHDSACASA-N 384.311 -0.052 30 10 GBEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NC[C@@H](O)C(=O)O)OC1(C)C 2284398975 DSWAEHJJKWLZNE-LLVKDONJSA-N 389.210 -0.151 30 10 GBEE Cc1cc(C#N)nc(N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)n1 62027244 WAGUORKDCGLJEW-UHFFFAOYSA-N 392.485 -0.023 30 10 GBEE O=C1CC[C@@H]2CN(/C(=N\C[C@H]3CCCO3)NC[C@@H]3CCS(=O)(=O)C3)CCN12 262353976 FQDPORNBJDLHTB-ARFHVFGLSA-N 398.529 -0.148 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 481738927 KGPCJJQDYCBMJU-DLBZAZTESA-N 393.532 -0.331 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCC(N(C)C)CC2)CC1 534718594 VKRKSHJDHIKVPW-UHFFFAOYSA-N 380.537 -0.358 30 10 GBEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)Nc1sccc1C#N 598638490 QCVCKEHVWVBZOA-QWRGUYRKSA-N 391.409 -0.274 30 10 GBEE C=C1[C@H](C(=O)NCCN2CCO[C@H](C)C2)[C@H]1C(=O)NCCN1CCO[C@H](C)C1 900485598 QZWZCKUCXUXFKI-LMSBXDPUSA-N 394.516 -0.538 30 10 GBEE C[C@@H](C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)n1cnc(C#N)n1 1133586618 TWUOFNIYULXPKM-ZDUSSCGKSA-N 383.412 -0.398 30 10 GBEE C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 1261387148 TUZWGBWFLREAME-HOTGVXAUSA-N 375.425 -0.062 30 10 GBEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 1261628579 DJOSJOWZKBHDNO-CALCHBBNSA-N 390.484 -0.301 30 10 GBEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@H]1CCCCN1C1CC1 1323804113 DZCFNWKVSPZYDV-UPTRSRDDSA-N 389.456 -0.238 30 10 GBEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCOC1 1505083192 WQVOOYWSBPYJBD-KRXQYRFLSA-N 393.444 -0.118 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CS(=O)(=O)NC 1515305082 DQPIDWZCYSDDHA-BARDWOONSA-N 387.502 -0.130 30 10 GBEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CC(=O)NC2(C#N)CCC2)C1 1560118667 ZIWSPKFTHOOLOL-UHFFFAOYSA-N 377.445 -0.030 30 10 GBEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1620357333 VKSUNCLKOFHEBO-RRFJBIMHSA-N 390.444 -0.331 30 10 GBEE C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1702922022 GHOWKNDLNUDEIK-RFHZTLPTSA-N 376.413 -0.061 30 10 GBEE C#CCN1CCC(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1735279162 VRNLIHAVKMMQBO-XWTMOSNGSA-N 377.485 -0.260 30 10 GBEE CNC(=O)C1(NS(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282349840 DNKPWDDFCDDDGG-UHFFFAOYSA-N 381.263 -0.062 30 10 GBEE Cc1nc(S(=O)(=O)N2C[C@](C)(O)CO2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282504630 RNVSMXDQICCXRQ-HNNXBMFYSA-N 387.267 -0.285 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)n1 2282536549 DMGREUFBKQFEFL-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]3CS(N)(=O)=O)[nH]n2)OC1(C)C 2282584379 CNHWMUIVOHBFPI-SNVBAGLBSA-N 384.267 -0.398 30 10 GBEE CCC[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284394362 XKVCBWHNMLVQPW-SECBINFHSA-N 388.255 -0.354 30 10 GBEE COCCCn1c(=O)/c(=C\c2ccc3c(c2)OCO3)s/c1=C(/C#N)C(N)=O 6497783 YDPVGDZQLSCZIW-SSHBSOFUSA-N 387.417 -0.337 30 10 GBEE C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 297839534 RECHMWUQEFBYFT-GDBMZVCRSA-N 387.440 -0.400 30 10 GBEE N#Cc1cccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)n1 545493275 PKFGPZIQRXNUTN-UHFFFAOYSA-N 378.458 -0.483 30 10 GBEE C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC#N)c1 594630415 VXCACFIAVQLZMN-NSHDSACASA-N 386.455 -0.361 30 10 GBEE C#CC[C@@H](COC)NC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 875371116 BGLVMHFNDFPWNO-LYGPFTKASA-N 381.473 -0.473 30 10 GBEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(C)(=O)=O 917926134 VWQVXRRXXIPSGI-LBPRGKRZSA-N 391.492 -0.099 30 10 GBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C(C)(C)C 1282727706 UDENYCCIYYKMTJ-MCIONIFRSA-N 376.457 -0.464 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1286786981 NSERUDBDSCADAU-GOSISDBHSA-N 387.444 -0.024 30 10 GBEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCn2ccnn2)CC1 1300706729 RNEOMYHRQLVCRS-UHFFFAOYSA-N 397.487 -0.163 30 10 GBEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)N2CCOCC2)CC1 1322667587 NUJAVPFESNMDGF-UHFFFAOYSA-N 379.442 -0.220 30 10 GBEE N#CC1CCC(CNC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1323060326 AELMHVFTXQKCLG-DAWZGUTISA-N 391.516 -0.045 30 10 GBEE C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)n1 1328246344 OSBGDYNDVGVZDK-UKRRQHHQSA-N 380.470 -0.053 30 10 GBEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N[C@H](C#N)CO)c1OC 1334437584 VZUUVCVSJTYMFF-LLVKDONJSA-N 399.425 -0.661 30 10 GBEE C=CCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]12CCC=C1OCC2 1340573029 UVTKXQXCQCXGLA-YJYMSZOUSA-N 384.440 -0.053 30 10 GBEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@]12COCCN1C(=O)COC2 1349520525 RJDSCTAVKAHEEH-ZRGWGRIASA-N 379.457 -0.019 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCOCCS(C)(=O)=O 1539258612 YSEZKRDHFJWINM-UHFFFAOYSA-N 388.453 -0.131 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2nn(C)cc2Br)C1=O 1543776190 VLCFDMZCQIPXGV-UHFFFAOYSA-N 384.190 -0.224 30 10 GBEE C=CCNC(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1595602246 HOXNDCHETGYBOR-KDOFPFPSSA-N 390.444 -0.039 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCn2ccnn2)[C@H](OC)C1 1683198975 PIWNTCFBIKPEKY-HWMZRRJGSA-N 377.445 -0.009 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCC(=O)NCCC)C1 1719293423 WNRDQFMYGXLQKN-WCVJEAGWSA-N 381.473 -0.038 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2nccn2C)C[C@@H]1O 1735962276 SHEILIGJMPIFEL-KBXIAJHMSA-N 378.429 -0.784 30 10 GBEE C#CCS(=O)(=O)CCNC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 1853323724 MXCMTXONWNZWTN-UHFFFAOYSA-N 384.479 -0.301 30 10 GBEE C#CCO[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)C1 1891432714 QYBQSVPSIZQRCX-GFCCVEGCSA-N 377.422 -0.350 30 10 GBEE CC1(C)OB(c2scnc2C(=O)NCCNS(C)(=O)=O)OC1(C)C 2255802624 BORYORRYWQJSMK-UHFFFAOYSA-N 375.281 -0.279 30 10 GBEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1nnc(O)o1 2282336552 ACAFJIZKMMTGLI-UHFFFAOYSA-N 385.211 -0.714 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNC[C@H](F)C1 2282336749 GZIIARLZICNQBI-MNOVXSKESA-N 388.274 -0.302 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2c[nH][nH]c2=N)n1 2282488288 ABVMUBKYJVXZJG-UHFFFAOYSA-N 382.255 -0.667 30 10 GBEE Cn1cc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282583467 KAIZBOCKQUOHEQ-LLVKDONJSA-N 383.279 -0.022 30 10 GBEE Cn1c(=O)cc(O)n(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)c1=O 2362570742 CXNJLSBVDGOAII-UHFFFAOYSA-N 379.203 -0.303 30 10 GBEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)Cc1ccnn1C 47614871 WEBIFTIYXIVXFA-UHFFFAOYSA-N 391.432 -0.754 30 10 GBEE CC1(C)OB(c2cnc(N3CCC[C@H]3CNC(=O)[C@@H](O)CO)nc2)OC1(C)C 215695513 PFLQLAIFSYRJDS-KBPBESRZSA-N 392.265 -0.786 30 10 GBEE C[C@@H](/C=C/[C@@H]1C(CO)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238746834 AURHKHAKYLTFJN-CXZTWHSPSA-N 386.441 -0.719 30 10 GBEE biogenic C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 273407798 KCASKLWXCCGFFO-GXTWGEPZSA-N 399.469 -0.009 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 330523391 KDOGEYNOSOCWQA-VXGBXAGGSA-N 376.379 -0.110 30 10 GBEE CCc1c(C(=O)Nc2nn(C)c(C)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 592653129 KXVLQNDYDPWUSO-UHFFFAOYSA-N 381.396 0.361 30 10 GBEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 666973064 OESISYPTGUWAPL-QGZVFWFLSA-N 379.505 -0.131 30 10 GBEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnnn3C)cc2C1=O 781731397 CUXMKJCZAQNPFC-UHFFFAOYSA-N 375.366 -0.284 30 10 GBEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 855492440 DEVYMTYJEWFUBE-KGLIPLIRSA-N 398.481 -0.175 30 10 GBEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 900159577 KNTLGFJMORBRLV-HZPDHXFCSA-N 388.534 -0.008 30 10 GBEE CN(C)CCN1CCC(NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 914018078 XIFCHMRGFMKOSJ-RHSMWYFYSA-N 383.518 -0.408 30 10 GBEE C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2OC)nn1 941842379 ACHMCBBNADBVNC-RIQILIMLSA-N 375.429 -0.013 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)C1=O 1130322828 XPCFQZVMUPZGHO-ZDUSSCGKSA-N 394.428 -0.647 30 10 GBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](Cn3ccnn3)C2)cc1 1167397603 PSCSCMVHRZHHOU-CQSZACIVSA-N 390.425 -0.644 30 10 GBEE CNC(=O)NC[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1175601478 MNEDPVNUAVLQNS-HOTGVXAUSA-N 380.493 -0.691 30 10 GBEE C#CCNS(=O)(=O)N1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 1187437614 JIXVBXLXWZTDKB-UHFFFAOYSA-N 396.425 -0.100 30 10 GBEE N#Cc1ccc(CN2CCN(C(=O)NCc3nnc4n3CCNC4=O)CC2)cc1 1254764682 XSXYOBVERFMVGQ-UHFFFAOYSA-N 394.439 -0.079 30 10 GBEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1303412445 YAEXABHXWWBNJX-YVEFUNNKSA-N 375.433 -0.377 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 1322715435 DWXXFWGIRWNGKJ-OLZOCXBDSA-N 385.428 -0.878 30 10 GBEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCc3ccc(CC#N)cc3)CCN2C1=O 1328331181 BFIVBUDJKFHQKF-HNNXBMFYSA-N 383.408 -0.136 30 10 GBEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507589817 PBDQDFNZERVGLH-MRXNPFEDSA-N 393.451 -0.176 30 10 GBEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1585296957 OEJGQDLNXARFNS-WCPWRMLGSA-N 395.359 -0.148 30 10 GBEE COC(=O)[C@H]1CCCN(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 1585297673 WNADJAWOKMLIKJ-ICFTUWFRSA-N 378.385 -0.959 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 1588812908 UZNOVZDILDQVND-OAHLLOKOSA-N 396.517 -0.571 30 10 GBEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCOC34CCOCC4)C2)c(=O)nc1O 1638932884 ATJCXDUVCMYQNP-ZDUSSCGKSA-N 375.385 -0.275 30 10 GBEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1666566588 MSBDBEFFQBLCAE-CHWSQXEVSA-N 383.513 -0.737 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 1669205481 NFQLTNMPCGQEBB-GJZGRUSLSA-N 399.517 -0.572 30 10 GBEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1 1690274778 CYWUSLOICRPAKU-RYUDHWBXSA-N 386.478 -0.584 30 10 GBEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 1705843578 IZMCOXVAMSMFLH-CYBMUJFWSA-N 383.474 -0.339 30 10 GBEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1722384765 XZWNDTAZHIWSHD-LBPRGKRZSA-N 399.423 -0.366 30 10 GBEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 1722437240 LQHSFIXVJXYSRD-CQSZACIVSA-N 394.501 -0.976 30 10 GBEE C#CCN(c1nnc(COCC)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1740628201 OKLBUPQYJBZXOX-CQSZACIVSA-N 397.501 -0.033 30 10 GBEE C#CCN(C)CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2059480982 GLVKGFHUHROWAV-CYBMUJFWSA-N 375.491 -0.004 30 10 GBEE COC(=O)[C@H](CO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469573 XSQRZOXFTCZPPC-JTQLQIEISA-N 391.276 -0.141 30 10 GBEE C[C@@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CS(=O)(=O)C1 2282035084 QFFORFJVLREWAQ-SNVBAGLBSA-N 383.279 -0.118 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1cc[nH]c(=N)c1 2282325554 GTHWUJQENRPLBE-UHFFFAOYSA-N 380.239 -0.277 30 10 GBEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCOC[C@H]2CN)n1 2282505177 ZXCNUIPDWSVCTC-LLVKDONJSA-N 386.283 -0.933 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCNC1 2282838180 KHVASQNWOQAQPV-NSHDSACASA-N 385.299 -0.608 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]2N 2282841333 NLMQEFLSFRQVQQ-VWYCJHECSA-N 383.283 -0.776 30 10 GBEE C[C@H]1CNC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282854893 XCWQOJGMLJKNHR-VXGBXAGGSA-N 384.311 -0.004 30 10 GBEE C#C[C@H](C)N1CCN(C(=O)[C@@H]2[C@@H](O)[C@@H](O)CCN2C(=O)OC(C)(C)C)CC1 2362091454 ZRUARWIOMIXQOV-VGWMRTNUSA-N 381.473 -0.117 30 10 GBEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410151837 SEDJUWAYVIKAQI-GOEBONIOSA-N 399.517 -0.480 30 10 GBEE CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)CC1 518795689 AOJLMSZGBKWRPW-UHFFFAOYSA-N 397.482 -0.339 30 10 GBEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(CC(N)=O)CC(N)=O)C1 592757798 QKOZCSNDXYZPPE-UHFFFAOYSA-N 394.229 -0.444 30 10 GBEE CO[C@@H](CS(=O)(=O)N(CCC#N)CCN1CCOCC1)[C@H]1CCOC1 594761342 YYYOKPGUYCUBRM-HOTGVXAUSA-N 375.491 -0.084 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)C1=O 598545096 IFXKLELYSBNUTF-UHFFFAOYSA-N 391.384 0.140 30 10 GBEE Cn1cc(S(=O)(=O)NN=Cc2c(F)cc(C#N)cc2F)c(=O)n(C)c1=O 782254216 WCHPOSGFLMIFMR-UHFFFAOYSA-N 383.336 -0.454 30 10 GBEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 782987045 IGJTVSKCAYLEIR-UHFFFAOYSA-N 379.481 -0.105 30 10 GBEE C#CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCC1 804868926 IBCLFDOUCUJIGW-UHFFFAOYSA-N 387.527 -0.114 30 10 GBEE C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]1(C#N)CCOC1 848961109 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C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCS(=O)CC1 1690723827 BUNSUDNHSRIXNT-ZDUSSCGKSA-N 388.515 -0.049 30 10 GBEE C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(O)nnc1O 1702898827 LVQPPYIRNKKMOV-AGIUHOORSA-N 379.417 -0.080 30 10 GBEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnn(C)n1 1705668643 QLUTYFTXIMFHAP-XHDPSFHLSA-N 393.477 -0.548 30 10 GBEE Cn1c(N2CCN(CC(=O)Nc3ccccc3C#N)CC2)cc(=O)n(C)c1=O 1851331087 RVLSDAXHSLDYQA-UHFFFAOYSA-N 382.424 -0.284 30 10 GBEE N#CCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)C3CCOCC3)C(=O)C2)C1 1856855328 WGUJAXXMYJOVSP-AWEZNQCLSA-N 384.458 -0.989 30 10 GBEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N[C@@H](CS)C(=O)O)O[C@H]2C1 2253904779 LEVFZYWSENRMKJ-XWLWVQCSSA-N 376.431 -0.111 30 10 GBEE C#CC(CO)(CO)NS(=O)(=O)c1ccc(I)cc1 2261473672 NTXBLMFAKZROKU-UHFFFAOYSA-N 381.191 -0.074 30 10 GBEE CN(C)C1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)CC1 2282301602 GHJWOJLFPZVRLL-UHFFFAOYSA-N 385.299 -0.513 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H]2COC[C@H]2C1 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N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC(N3C(=O)O[C@H]4CNC[C@H]43)CC2)C1 1118902751 NRIGHGVRSWAECD-IGCXYCKISA-N 379.392 -0.766 30 10 GBEE C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1120514443 VZEYEFZFKZALBF-JKSUJKDBSA-N 399.513 -0.100 30 10 GBEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(C#CCO)c1 1136135684 OVMSRWQQHZABOM-MRXNPFEDSA-N 378.450 -0.204 30 10 GBEE CCO/C=C/[C@@](O)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)C(F)(F)F 1159761005 ABGVYHBUVUTRFQ-ITDFMYJTSA-N 376.291 -0.220 30 10 GBEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(c3ncnn3C)C2)c1 1176303226 SZRDEPRMLXHFHH-UHFFFAOYSA-N 377.426 -0.377 30 10 GBEE CNC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 1261512963 FXDVVESNDFHHBR-VXGBXAGGSA-N 392.437 -0.095 30 10 GBEE C=CC[C@H]1N(C(=O)C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CCCC1(C)C 1262517904 FSQXYCKWARPFBD-UONOGXRCSA-N 384.502 -0.060 30 10 GBEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCNC(=O)CO)c1 1291629871 WWXSLLPMUWRZED-RGEXLXHISA-N 382.442 -0.064 30 10 GBEE C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1293691392 PVHHKJMAQVJLLA-JTOWHCCKSA-N 377.441 -0.763 30 10 GBEE C#CCN(C(=O)C(=O)N1CCN(C(C)(C)COC)CC1)[C@@H]1CCS(=O)(=O)C1 1325927853 YOOHPRMLUJVNEN-OAHLLOKOSA-N 399.513 -0.796 30 10 GBEE C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1CCCCC1 1327766164 GZJFCAKNAIDTPJ-PVEMMZBWSA-N 377.445 -0.380 30 10 GBEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)COC)CC1 1359028704 BKBLGTZVEMAWJB-HUUCEWRRSA-N 398.533 -0.074 30 10 GBEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)N(C)C 1359476320 BNRLRCFUMBRBTB-CYBMUJFWSA-N 397.505 -0.112 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1cncn1C 1470567545 BKEIZTITUWUSDD-FZMZJTMJSA-N 377.426 -0.192 30 10 GBEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@@H]1C 1507601435 QUAIJADVCLGSRY-UONOGXRCSA-N 384.506 -0.322 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)C23CCC(OC)(CC2)CC3=O)CC1 1520460804 QTHXZGXIIXNIGW-UHFFFAOYSA-N 383.470 -0.483 30 10 GBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2ccccc2=O)C1 1572825034 CCWVTCJJYVMDKS-MKSNKDDYSA-N 389.452 -0.093 30 10 GBEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCS(=O)(=O)CC(F)(F)F 1640973496 OEZVDHVIVMMZCH-VAWYXSNFSA-N 383.348 -0.004 30 10 GBEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@]1(O)CCS(=O)(=O)C1 1690011434 OMMKZQTYYYOHNK-GOSISDBHSA-N 387.465 -0.094 30 10 GBEE C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1707067587 HVOBZCUSUAIOGN-NFPPBLBISA-N 376.457 -0.094 30 10 GBEE Cn1c(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)cc(=O)n(C)c1=O 1853676549 OUJXYFBRVWRVCR-CQSZACIVSA-N 387.440 -0.302 30 10 GBEE CCCCCCCCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN 1866112289 VPWRLDTVWUFAOA-UHFFFAOYSA-N 385.509 -0.449 30 10 GBEE C#CC(C)(C)N1CCN(C(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)CC1 2200870862 GPGFOARNBRVCAH-QLFBSQMISA-N 381.473 -0.117 30 10 GBEE CC1(C)OB(c2cnc(=O)n(C[C@H]3CCN(S(C)(=O)=O)C3)c2)OC1(C)C 2240949149 IPCFGJPBEZHVEZ-GFCCVEGCSA-N 383.279 -0.176 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@H]2[C@H](C1)C2(F)F 2282314924 HAQYLQHQXYZEBB-IUCAKERBSA-N 390.221 0.000 30 10 GBEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3c[nH][nH]c3=N)c2)OC1(C)C 2282346261 MRCZSJKBNYQZMG-UHFFFAOYSA-N 379.251 -0.005 30 10 GBEE Cn1nc(C(=O)N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 2282625568 XBWDQCPCHVDWSN-DDFAGTSDSA-N 381.263 -0.508 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@@H]2CC[C@H]21 2282858430 WWVUMSJNSYMJIS-VXGBXAGGSA-N 382.295 -0.156 30 10 GBEE CC1(C)OB(c2sccc2C(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)O)OC1(C)C 2284385832 WXLATQNLEBOVEQ-DCAQKATOSA-N 383.231 -0.322 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)C(=O)O)c(F)c2)OC1(C)C 2284417462 LOALAIAVLUYNNB-LLVKDONJSA-N 389.210 -0.151 30 10 GBEE CC1(C)OB(c2csnc2C(=O)N2C[C@@H](O)[C@@H](O)[C@@H]2C(=O)O)OC1(C)C 2359399790 YYJLZNDBMGURAT-FBIMIBRVSA-N 384.219 -0.927 30 10 GBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 279468050 GFVWXTRWBOZTBF-SJCJKPOMSA-N 376.438 -0.036 30 10 GBEE 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CJVFTLDLGGXEOF-UHFFFAOYSA-N 376.413 -0.138 30 10 GBEE N#Cc1cc(CS(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cs1 913877620 FFMIXWFPNSECBI-UHFFFAOYSA-N 398.510 -0.074 30 10 GBEE C#CCN(C(=O)C(=O)Nc1ccnn1-c1ccncc1)[C@H]1CCS(=O)(=O)C1 1116722532 NJWOXOWYSWERBZ-AWEZNQCLSA-N 387.421 -0.145 30 10 GBEE CN(C)S(=O)(=O)Cc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 1164108416 BMHLFQVNYULJPF-UHFFFAOYSA-N 391.453 -0.041 30 10 GBEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCNC12CCC2 1261823139 RFWCIYWLXUGXTE-HIFRSBDPSA-N 383.456 -0.214 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC)CC1 1300698678 YACZYXXSRKYKKX-CQSZACIVSA-N 394.501 -0.581 30 10 GBEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CCO1 1316537696 DVEZORLATYWEED-NXEZZACHSA-N 383.359 -0.661 30 10 GBEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(C(N)=O)n2)n1 1321005607 QZTIMQRGZSNYQG-UHFFFAOYSA-N 384.396 -0.376 30 10 GBEE C#CCN(C(=O)C(=O)NCc1ccc([S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1325379149 PZASBILLTSZNHO-DLUDVSRJSA-N 396.490 -0.311 30 10 GBEE 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1690122587 WGRYOBFIGJJPMH-KSSFIOAISA-N 390.513 -0.148 30 10 GBEE C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@H](C)NC(N)=O)nn1 1736480311 KWHOVJGLWMIUNQ-OPDFLTKYSA-N 375.433 -0.227 30 10 GBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(=O)COC)C[C@H]1OC 1739593982 JVYUJHRISXDQKN-APIJFGDWSA-N 383.445 -0.928 30 10 GBEE C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CN(C)C1=O 1740354444 BCAZLARTOIDHIK-SYQHCUMBSA-N 376.413 -0.833 30 10 GBEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cncn1 1760194947 TVPBPTGCZGZHKL-ZDUSSCGKSA-N 376.446 -0.747 30 10 GBEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(=O)NC(=O)C3)s2)OC1(C)C 2267373195 ZXVQPQHKTQALMD-UHFFFAOYSA-N 386.260 -0.306 30 10 GBEE Cn1ncc(C(=O)NCCCCS(N)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2281825184 PDBASJPWZNQODX-UHFFFAOYSA-N 386.283 -0.482 30 10 GBEE CC1(C)OB(c2cnsc2C(=O)N2CCN(CCO)C(=O)C2)OC1(C)C 2282025740 SSDHOMFZMFWHEC-UHFFFAOYSA-N 381.263 -0.281 30 10 GBEE CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330679 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C#CCNC(=O)[C@@H](C)N1CCN(CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1490500171 RLNUYZOZKOBSEO-VSZNYVQBSA-N 376.501 -0.327 30 10 GBEE C=CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1502580680 RGOXCZCVBDTIOZ-BVYOLEPJSA-N 381.473 -0.717 30 10 GBEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCOCC1 1507601756 UJCKBPLMSHZNEI-GJZGRUSLSA-N 398.533 -0.074 30 10 GBEE C=CCn1c([C@@H]2COCCN2C)nnc1N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 1520265863 AJYNHKVJVZTNMW-MCIONIFRSA-N 393.444 -0.134 30 10 GBEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1624465773 VGSBCAZVMFZGIY-VVLLMFOMSA-N 384.458 -0.309 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OC)c(O)c2)CC1 1638134817 LIJVQKRPBYIZID-UHFFFAOYSA-N 396.469 -0.262 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)NC)cc2)CC1 1667384780 TWNAJPXMNJUCHE-UHFFFAOYSA-N 393.469 -0.659 30 10 GBEE Cn1ncnc1C1(O)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1671495853 XYCCUDFEPGFZBQ-VXGBXAGGSA-N 391.432 -0.213 30 10 GBEE 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CN(C1[C@@H]2CNC[C@@H]12)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282849617 DSMKLLFKCOGDEY-GHMZBOCLSA-N 382.295 -0.442 30 10 GBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H]2C[C@@]2(CN)C1 2288266889 IJYXIVYEAVXYTL-BDJLRTHQSA-N 382.295 -0.311 30 10 GBEE CC1(C)OB(c2cc(C(=O)N[C@H](CS(C)(=O)=O)C(=O)O)co2)OC1(C)C 2360575820 LZPLWALPKMBRMC-SNVBAGLBSA-N 387.219 -0.194 30 10 GBEE COC(=O)c1cn(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)nn1 284096917 FVCXGLSTACQUDJ-UHFFFAOYSA-N 384.400 -0.137 30 10 GBEE C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 349476080 GPKRKKCQOVFCGY-RFGFWPKPSA-N 379.504 -0.275 30 10 GBEE N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cn1 460656404 MVWJOPFPUYHVIV-HNNXBMFYSA-N 381.396 -0.380 30 10 GBEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)C(=O)NC3CC3)CC2)c1 513787420 YMPWXUUJFAXPSA-UHFFFAOYSA-N 390.465 -0.245 30 10 GBEE CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCn3nncc3C2)cc1 583034147 KIVLVJIKELRCKI-UHFFFAOYSA-N 396.454 -0.373 30 10 GBEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3c3ncno3)CC2)o1 599411810 FFOWCBYYZIGGQI-AWEZNQCLSA-N 387.400 -0.040 30 10 GBEE C#CCN(C(=O)C(=O)Nc1cc(C(=O)OCC)n(C)c1)[C@@H]1CCS(=O)(=O)C1 783479660 MIFLVUVTEMLMOD-CYBMUJFWSA-N 395.437 -0.211 30 10 GBEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 802686179 XDXQBSYDPIGCHG-UONOGXRCSA-N 383.474 -0.141 30 10 GBEE CN(CCOC(=O)CC1(C#N)CCOCC1)S(=O)(=O)N1CCOCC1 850833198 PMLAAUCILIJMOA-UHFFFAOYSA-N 375.447 -0.251 30 10 GBEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CC1 882509835 GUQHDFCZARWDPP-LLVKDONJSA-N 385.458 -0.307 30 10 GBEE C=CCn1cc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)nn1 1142659135 LNZFFVZEPRPYJC-ZWNOBZJWSA-N 385.471 -0.130 30 10 GBEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](OC)(C(=O)OC)C1 1261793326 FASASEKFGXGMKV-IAQYHMDHSA-N 387.462 -0.157 30 10 GBEE C#CCn1ccc(CN(CC)S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)n1 1261855357 QZSHJQFWRFVSIG-CQSZACIVSA-N 388.515 -0.051 30 10 GBEE CCN1CC[C@H](N(CC)C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 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383.275 -0.041 30 10 GBEE CC1(C)OB(c2cccc(S(=O)(=O)NCCn3ncnn3)c2)OC1(C)C 2282862992 LKBMEHXOGVNYFW-UHFFFAOYSA-N 379.251 -0.049 30 10 GBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC=C(CO)CC1 2282868531 OTDRJDOLAVVIQN-UHFFFAOYSA-N 384.267 -0.573 30 10 GBEE C[C@@H]1C[C@@]1(NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404862 BXOAFQWBZYQUQV-PSLIRLAXSA-N 385.251 -0.139 30 10 GBEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@H](CO)C(=O)O)cc2)OC1(C)C 2284409159 FZIXROMBPWXWQR-CYBMUJFWSA-N 385.247 -0.149 30 10 GBEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](F)C1 349500913 HODRHPGXQZLYAK-STQMWFEESA-N 383.467 -0.306 30 10 GBEE C[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)n1cnc(C#N)n1 409914546 YQYXJTACTULFEE-CHWSQXEVSA-N 382.446 -0.636 30 10 GBEE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1OC 464403996 OOGARKGSURCNKS-GFCCVEGCSA-N 380.426 -0.418 30 10 GBEE CN1CC[C@@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)NCC#N)c3)C[C@@H]21 563430129 ZRTFGGYWFBHPJP-DOMZBBRYSA-N 384.483 -0.187 30 10 GBEE 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383.426 -0.683 30 10 GBEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(=O)NC)C1 1539744017 BWUWNPJXGSVGFH-KBPBESRZSA-N 392.460 -0.227 30 10 GBEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)C1=O 1584924447 JXGIIVRVIPLHQP-UHFFFAOYSA-N 399.363 -0.848 30 10 GBEE CCOC(=O)CON=C(C(=O)NCCN1CCN(CC)CC1)c1cc[nH]n1 1632798060 YWAABENQICQJIC-UHFFFAOYSA-N 380.449 -0.553 30 10 GBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(nc2O)CCOC3)CC1 1632966193 KLRQUEOGTXKGHL-UHFFFAOYSA-N 380.426 -0.915 30 10 GBEE CNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)o1 1645267780 MSUIPFQBXMCTSJ-HZMBPMFUSA-N 387.439 -0.494 30 10 GBEE C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(=O)OC)CC1 1685968163 GVXOWBLODHFXQG-PMPSAXMXSA-N 376.457 -0.064 30 10 GBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(C)COCCO2)CC1 1740694777 UEDCHPDEDTVTTK-BEFAXECRSA-N 388.472 -0.210 30 10 GBEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCCS(C)(=O)=O 1749663433 FGMCDLHTTAFJGL-UHFFFAOYSA-N 395.489 -0.148 30 10 GBEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCO)CC1 1869926892 IJBRJNOXHZYXCS-MRXNPFEDSA-N 394.497 -0.114 30 10 GBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C(=O)NCC#N)C1 2118124133 BZEBXNGTJAXSBR-LLVKDONJSA-N 388.446 -0.833 30 10 GBEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNS(=O)(=O)N2CC(C#N)C2)n1 2174779359 IEJULBSSAYIBBB-UHFFFAOYSA-N 398.445 -0.003 30 10 GBEE C=C(CS(=O)(=O)NCC1(S(N)(=O)=O)CC1)B1OC(C)(C)C(C)(C)O1 2255952088 OHBPCVLEMNFNJS-UHFFFAOYSA-N 380.297 -0.086 30 10 GBEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[S@@](C)=O 2267711541 MMXPDGSPUQOCKX-CCGUKBGLSA-N 391.324 -0.235 30 10 GBEE CC1(C)OB(c2n[nH]cc2C(=O)N=[S@](C)(=O)N2CCNCC2)OC1(C)C 2281928866 SKWSGQJFTLFEMH-SANMLTNESA-N 383.283 -0.233 30 10 GBEE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282029449 SCLOQADIXWGFPT-GRYCIOLGSA-N 384.263 -0.365 30 10 GBEE CC[S@@](C)(=O)=NCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282191105 LNNYZJRQUIHICD-AREMUKBSSA-N 385.299 -0.038 30 10 GBEE 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