smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC)CC(=O)NC(C)C)c1=O 67768852 KXUUEPZJAVSYJB-UHFFFAOYSA-N 393.444 -1.083 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1ccc(C#N)cc1)C2 276386683 IUIAREOJKGNJLB-UHFFFAOYSA-N 397.395 -1.014 30 20 GAED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2COC[C@H]2O)nc1 349534025 HBNVLGNTTFCVDA-VXGBXAGGSA-N 390.443 -1.236 30 20 GAED C[C@H](C(=O)N1CCOCC1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 443900916 WZIODHCIWOKGNZ-CYBMUJFWSA-N 390.444 -1.675 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(S(N)(=O)=O)CC2)c1 567526490 JKQMFGNPYSNDBE-UHFFFAOYSA-N 387.443 -1.816 30 20 GAED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2C)c1=O 758039373 CLYMELCNPMIVRC-UHFFFAOYSA-N 385.449 -1.068 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1109361376 UKXOKIJDLMLPIV-WCVJEAGWSA-N 376.457 -1.048 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cnnn1 1111181870 RAODBMLOHWVRNT-UPJWGTAASA-N 376.421 -1.204 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1322966780 JSRZNNBDCVPWBF-UHFFFAOYSA-N 398.441 -1.110 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1347038052 CTTGVZYOUNYLTI-ZDUSSCGKSA-N 399.473 -1.121 30 20 GAED N#Cc1cn(CCNC(=O)CSCC(=O)N2CCOCC2)c(=O)nc1O 1470360597 MLPZZKDBYCYVFV-UHFFFAOYSA-N 381.414 -1.471 30 20 GAED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@@H]1CCC2(CN(CC(=O)NCC#N)C2)O1 1575858735 PUQGXINJZYMLPG-JSGCOSHPSA-N 391.432 -1.301 30 20 GAED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1581858764 VCHIXHZPTXZXJH-UHFFFAOYSA-N 376.402 -1.245 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783255652 FJBBJTUHODFWCQ-SFHVURJKSA-N 382.461 -1.347 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785153328 CNJOIQZPVSWMFE-IIRVCBMXSA-N 384.458 -1.118 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830055682 BTCDUTFVKAGHMB-MRXNPFEDSA-N 377.405 -1.321 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845189211 GDBFIQOYEDSCMB-UHFFFAOYSA-N 397.472 -1.014 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)n(C)c1=O 754804127 WVUXFBJHTWVCMD-KRWDZBQOSA-N 388.384 -1.215 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CCCO1 773800588 YBIGVORZPQWNFL-CHWSQXEVSA-N 385.380 -1.132 30 20 GAED N#CCNC(=O)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1131369833 ZQZRNYHDYNYRBR-JSEZXORMSA-N 389.456 -1.300 30 20 GAED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 1326471938 FOOKGLFGDIDPCA-INIZCTEOSA-N 383.474 -1.416 30 20 GAED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1350529489 DZYCENUTUGMOLD-LBPRGKRZSA-N 387.444 -1.005 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797583566 GFSKOMKSWGSLLK-JHZZJYKESA-N 397.428 -1.321 30 20 GAED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOCCOCCOC 1800849149 OHWUCUVHMDIATG-HGKCTWBKSA-N 398.456 -1.095 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830401561 VTAICTXUDVTECW-KRWDZBQOSA-N 386.401 -1.737 30 20 GAED CN1CCN(CCC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834760181 ILVYFQAJEBKKFK-LJQANCHMSA-N 393.488 -1.006 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839809446 PTAQMSXXPCPVGE-RDTXWAMCSA-N 397.428 -1.081 30 20 GAED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041419 LRSYBHZYMWARQB-KRWDZBQOSA-N 392.368 -1.277 30 20 GAED CN(C)C(=O)CN/C(=N\CCNS(C)(=O)=O)N1CCN2C(=O)CC[C@H]2C1 262244052 APAJHFGGXDADFT-LBPRGKRZSA-N 388.494 -2.124 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CCN1Cc1ccccc1 298566401 FBXIIMLRHIAAEH-CVEARBPZSA-N 385.424 -1.064 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 1208579819 HKKMJXUOKRXGCL-FVCCEPFGSA-N 381.433 -1.532 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(O)c3cnn(C)c3n2)CC1 1345629412 WWNBDSKZIINVGL-UHFFFAOYSA-N 385.428 -1.105 30 20 GAED CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1OC 1346277865 RPEIZMKELPBJEV-YIAPGVKOSA-N 380.401 -1.062 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588354501 NPBLSZYXECYVRQ-HBYGRHMLSA-N 382.384 -1.479 30 20 GAED C#CCO[C@H](C)C(=O)NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588357590 NNWSQUDCFPHMSN-CYBMUJFWSA-N 385.432 -1.067 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CCO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1756088630 BWTAUSJHUWZXLC-ZOBORPQBSA-N 381.429 -1.310 30 20 GAED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787423482 XHRFZVUTAGIEQJ-AJNGGQMLSA-N 380.493 -1.466 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791287875 ZTAONFRIUOAKHP-PAKFGRKTSA-N 396.396 -1.330 30 20 GAED NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743768 NLRYASPUGIUFFY-ZBWKZBCUSA-N 380.449 -1.284 30 20 GAED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(=O)[nH]c1C 1800773281 HTJRUSQXGLEVBS-JJLQDPRZSA-N 388.380 -1.322 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)n1cnnn1 1835364241 NNIUNCPXZNIZKJ-BBRMVZONSA-N 377.405 -1.006 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1839806481 QKTBBDRRHVUDIU-CZUORRHYSA-N 387.458 -1.596 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840044025 ILUSQMCEIVRMQX-ZMXQLYDGSA-N 388.380 -1.033 30 20 GAED C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 261771523 PGEAYZPCKFDTOZ-ZDUSSCGKSA-N 397.505 -1.074 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)c1C#N 472871785 HBIRVXHDLXAPCJ-SNVBAGLBSA-N 397.461 -1.958 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 601580799 DNFNPBMCFAOVDZ-MRXNPFEDSA-N 390.488 -1.285 30 20 GAED C#CCN=c1nc(N2CC[C@@](C)(C(N)=O)C2)[nH]c(N2CC[C@@](C)(C(N)=O)C2)n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c1ncccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 428263066 HZIIOQSCYGPDBD-UHFFFAOYSA-N 391.409 -1.065 30 20 GAED CN(CCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)S(C)(=O)=O 598977620 NOEOMJFOOWKPBO-UHFFFAOYSA-N 384.418 -1.332 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600760329 IXGAALXJIDLDSS-DCAQKATOSA-N 375.428 -1.397 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)c2c(O)nc(=O)n(CC)c2N)CC1 761033336 UWLJUQBMITWPEV-UHFFFAOYSA-N 398.445 -2.181 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 891512827 WJALQHUDBUHNLW-UHFFFAOYSA-N 387.506 -1.108 30 20 GAED N#Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c[nH]1 990962318 PEBMHNQWDWNTIV-RQJABVFESA-N 382.384 -1.219 30 20 GAED NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779879799 SUMSMGHHZUWCHI-QGZVFWFLSA-N 387.352 -1.893 30 20 GAED N#Cc1cccc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 419083039 VTMHEXZVZKCQPG-UHFFFAOYSA-N 391.453 -1.380 30 20 GAED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(=O)Cn2cncn2)cn1 1092979526 ARAIFYMTYDBRBN-MCIONIFRSA-N 381.400 -1.018 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1220347138 JSJXJBNTRGLMNO-NOOOWODRSA-N 383.405 -2.808 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1349332298 XSMDNPPKEMLIRB-GOSISDBHSA-N 393.444 -2.134 30 20 GAED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1349486256 MONPXBTWAIYBHU-OAHLLOKOSA-N 392.456 -1.176 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792466592 AKDSWMFRJUJEIP-FVCICTRLSA-N 381.454 -1.287 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)CC1 1793762503 DTVPZBPDQZSEHT-GNXNZQSNSA-N 375.385 -1.568 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C(N)=O)CC1 349499811 KTMYBWQJKGIZBL-JTQLQIEISA-N 396.516 -1.415 30 20 GAED C=CCN1CC[C@H](N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1=O 799129523 PKZGNGSORRGFLR-KBPBESRZSA-N 391.515 -1.092 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)CC1 1024132214 SEVVNZSIPAPHGX-LVQVYYBASA-N 392.456 -1.948 30 20 GAED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1218618850 WYQXIGJCTYNTJD-CAOSSQGBSA-N 392.456 -1.717 30 20 GAED C=CCn1cc(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)nn1 1325923273 FTCPGJRRPIDIAF-UHFFFAOYSA-N 399.477 -2.226 30 20 GAED C#CCN(C(=O)c1cnnn1C)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574928338 JXUIANAPTSBFIK-UHFFFAOYSA-N 385.432 -1.211 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1783557096 HCWMBCVGMWBYGE-MGPLVRAMSA-N 378.341 -2.498 30 20 GAED N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783411 PJHHWXHBFWMGNJ-XOIINTDNSA-N 391.472 -1.242 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1835764693 WIEWZSCDCJZVQN-YVEFUNNKSA-N 397.384 -2.407 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N(C)C[C@@H](O)CN1CCOCC1)c1cc[nH]n1 276538784 FWMIEHVBDJUNJU-MMOSJZJFSA-N 397.432 -1.155 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 349470360 CPHXUMSNUHBSDS-CYBMUJFWSA-N 380.492 -1.758 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)C[C@@H](C)C2)c1=O 762155501 FQERSCGRFFBCPM-ZDUSSCGKSA-N 384.458 -1.132 30 20 GAED C#CCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1329098140 CUKDZWWEPFGAPQ-UHFFFAOYSA-N 397.457 -1.545 30 20 GAED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1788652987 QCVXNJGRZGGURM-PAGFOZPKSA-N 385.417 -1.194 30 20 GAED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796437820 NZXKCBYFGGQMTA-YWVIFJGQSA-N 384.458 -1.085 30 20 GAED NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811475 PTAXIHALSVNJFM-WRYZTLEMSA-N 383.449 -1.609 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832701667 LOEPHSMMHRLXKW-UGSOOPFHSA-N 392.412 -1.546 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359800 IYJUHSJAYVJHIZ-CRAIPNDOSA-N 396.444 -1.102 30 20 GAED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835889347 UZDDGDQIGYKPJX-GOSISDBHSA-N 381.429 -1.081 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264089 ICWFTLKARMQLLB-YVEFUNNKSA-N 397.453 -1.314 30 20 GAED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349527350 VNLRJCQUKDTTTA-LLVKDONJSA-N 378.476 -1.156 30 20 GAED N#Cc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 415860655 NOHZGAMKLQARBO-UHFFFAOYSA-N 377.426 -1.057 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1 603846886 FWNLVXKJPUVVGE-KRWDZBQOSA-N 398.533 -1.095 30 20 GAED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3c(F)cccc32)c(=O)n(C)c1=O 771896484 AEJFSERBFOCQQL-UHFFFAOYSA-N 381.345 -1.142 30 20 GAED CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)N(C(C)=O)C1 1109563323 QFSMCVLWZQKRBR-OLMNGRFOSA-N 377.445 -1.017 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCc2c(nnn2C)C1 1326715350 AKISZCOBVZZCIG-NSHDSACASA-N 390.491 -1.233 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1343082609 ZQXUQQPILUEMFR-KBPBESRZSA-N 389.474 -1.043 30 20 GAED N#Cc1cn(CCC(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(=O)nc1O 1440942741 UOZORHRPRQMDRQ-UHFFFAOYSA-N 390.400 -1.193 30 20 GAED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)n1cnnn1 1782017951 WIRLOJFQWRHDID-OGHNNQOOSA-N 390.400 -1.164 30 20 GAED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564869 NXIPJPXOJMJWOE-CXAGYDPISA-N 375.385 -1.168 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566486 CFXSDCJZIRFLPN-SUMWQHHRSA-N 381.385 -1.945 30 20 GAED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075625 GMJKNQDKBWDSNY-CYDGBPFRSA-N 380.401 -1.499 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768715 LLUONZLATRNHSU-SJORKVTESA-N 383.401 -1.028 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 761036727 HYQIQNGICGYVLS-UHFFFAOYSA-N 386.474 -1.563 30 20 GAED N#Cc1nc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)[nH]c1-c1nn[nH]n1 822815265 NRSDWAFABDJOKT-YJFSRANCSA-N 397.355 -1.048 30 20 GAED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3nn[nH]n3)o2)c1=O 823861861 SCFPXJKZZSMNNM-UHFFFAOYSA-N 381.377 -1.435 30 20 GAED COCCN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1110615337 ONHJPJBIRYXHRW-TUVASFSCSA-N 377.445 -1.157 30 20 GAED C#CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588357164 IUCMUQGZCJSURI-LLVKDONJSA-N 387.400 -1.074 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262184 CPNJISNXMZSCOI-KRWDZBQOSA-N 383.401 -2.809 30 20 GAED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1783678802 XGXTYNJSRVPXPK-AVGNSLFASA-N 380.401 -1.675 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797621898 PIQGHRILPJHXIP-JFILPPLUSA-N 390.444 -1.053 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837820960 JHWFTCXEMFLRCQ-GOSISDBHSA-N 389.364 -1.055 30 20 GAED CC1(C)CNC(=O)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349507149 YDKCKIGLVVGMDV-UHFFFAOYSA-N 391.475 -1.404 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1024443950 ZIKRJPVJPGYERS-SYQHCUMBSA-N 379.417 -1.749 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)nn1 1118178557 QPFDVEBXNBUDNB-DZGCQCFKSA-N 381.433 -1.047 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CC(=O)NC)CC2)C1=O 1323180628 CQXNQSAQESMFQR-AWEZNQCLSA-N 379.461 -1.442 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[C@H]1CCCO1 1329627181 UHVSIOKTZGHJCV-HUUCEWRRSA-N 378.429 -1.120 30 20 GAED Cn1cc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cn1 1356131995 UINMDCZNTNUZSO-YPMHNXCESA-N 393.425 -1.261 30 20 GAED C#CCNC(=O)CNCC1(NC(=O)[C@H](C)OCc2cnn[nH]2)CCOCC1 1575004688 JDBYYWCCZCTPHI-ZDUSSCGKSA-N 378.433 -1.286 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)CC1 1779090808 TWQJHZGBTKCWSB-RDTXWAMCSA-N 378.429 -1.229 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1782010287 IMRBDQGWJKGATF-SNUQEOBHSA-N 377.397 -1.133 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744783 GMNLDDWUCKIRDS-ACJLOTCBSA-N 397.428 -1.050 30 20 GAED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041279 BXZOQQUKRONBEK-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349518222 NDTDFJXQNAGLAL-JTQLQIEISA-N 384.505 -1.606 30 20 GAED CC(C)N(CCCNC(=O)CN(CC#N)S(=O)(=O)N(C)C)S(C)(=O)=O 562049931 ZTLCCZJUHSQDCO-UHFFFAOYSA-N 397.523 -1.205 30 20 GAED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 600762479 FISWECMHNJVVSW-BPNCWPANSA-N 389.455 -1.007 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 966060313 CPVGZWNCBPMDMZ-WJNVRWDZSA-N 392.416 -1.954 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCNS(C)(=O)=O)CC2)o1 1116325726 JXPDIUKLWVKPHS-UHFFFAOYSA-N 384.462 -1.016 30 20 GAED C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322942487 NHBKCAFFIHOUSF-XROPSADXSA-N 379.417 -1.534 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(CCC(=O)OC)C2=O)C1=O 1329403443 AZUZBPWMDSTQBF-SNVBAGLBSA-N 381.341 -1.330 30 20 GAED N#CCSCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581858727 STJVCOITKNRCFU-UHFFFAOYSA-N 376.402 -1.245 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262150 BJOKZWJYRWWOOU-CZUORRHYSA-N 375.491 -1.579 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1797708050 ANLWMCGBBVYNHD-HLPPOEQASA-N 393.488 -1.011 30 20 GAED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800511022 IOSDGLNENOUTGF-MIFYACCESA-N 379.461 -1.006 30 20 GAED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800984042 GJCUGBSPCDJBQV-ORXSELOVSA-N 392.441 -1.061 30 20 GAED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834400905 ZTGKBHZSIBHZAA-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564402 MEDSIQJISLTXMA-MKBNYLNASA-N 388.490 -1.646 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837730337 WJGSBPSOUMSXHP-CRAIPNDOSA-N 396.444 -1.102 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1839808489 RNRQVMSIONXNBT-QAPCUYQASA-N 396.396 -1.429 30 20 GAED Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349464326 WGLDXGNHTIZACU-UHFFFAOYSA-N 377.448 -1.158 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)C1=O 368851648 ZKQDPNMYANOJNY-CYBMUJFWSA-N 391.428 -1.272 30 20 GAED C=CCCn1cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nn1 424556386 GRQCCINOTRYNSS-UHFFFAOYSA-N 376.417 -1.003 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 735381703 PLSQWZIXAZAPAK-UHFFFAOYSA-N 389.441 -1.078 30 20 GAED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 964605670 XTOICDCQIYDYRY-DZUCGIPZSA-N 390.484 -1.066 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)nn1 1023771156 NIUJGQFTGVCOSY-FOUMNBMASA-N 378.389 -2.202 30 20 GAED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)CC1 1602960302 BBBVWLUKXQUNKL-KGLIPLIRSA-N 386.474 -1.138 30 20 GAED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)c(=O)nc1O 1795084723 PRWJFEBFARHXDC-JJLQDPRZSA-N 375.385 -1.239 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797583568 GFSKOMKSWGSLLK-XYFZXANASA-N 397.428 -1.321 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1834973352 SKZAGJTYDCLGLV-UHFFFAOYSA-N 398.427 -1.369 30 20 GAED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CC1=O 349487362 CHXMWNPALJZXCZ-UHFFFAOYSA-N 377.448 -1.841 30 20 GAED CCN(CCC#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 409598369 NYHDLIYBFJGZOM-CHWSQXEVSA-N 380.492 -1.446 30 20 GAED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC2(CNC(=O)O2)C1 848956766 BIQKSKATVDEREZ-LLVKDONJSA-N 394.475 -1.032 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1109370399 NMMGDKLCMZZHAQ-RDBSUJKOSA-N 375.429 -1.429 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1196145353 JSJXJBNTRGLMNO-WISYIIOYSA-N 383.405 -2.808 30 20 GAED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1218332454 JWVJFJBOIRYFCC-FXUDXRNXSA-N 392.456 -1.540 30 20 GAED N#Cc1cccc(CNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1319877974 FUVFKVHKBJBJQJ-SJORKVTESA-N 392.481 -1.050 30 20 GAED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588331923 YFGZYOHEYFOEFA-CYBMUJFWSA-N 396.411 -1.229 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[nH]n2)nn1 1588710816 CWWFCQFZZSHUNF-SNVBAGLBSA-N 385.392 -1.021 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1792636260 MGHCLCOAPGIZCZ-MIFYACCESA-N 382.461 -1.588 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760014 FBMBRWWYASPBJA-NFFDBFGFSA-N 392.412 -1.834 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1795599481 LOOILCLRPRTJFD-QRJUGERDSA-N 393.488 -1.419 30 20 GAED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1835751876 JWEMRDVZGJUNIV-BEFAXECRSA-N 393.440 -1.081 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C1=O 268392046 PWISHHQLGDDTTE-QWRGUYRKSA-N 386.430 -1.203 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)C1=O 511304221 WPGPQXOKNMNSIW-JQWIXIFHSA-N 395.368 -1.084 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1O 964503306 KMLWUZPLXHTDGS-WJNVRWDZSA-N 392.416 -1.954 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2O)nn1 1023921769 HYSVZDPNRVKCGZ-RRCSTGOVSA-N 392.460 -1.125 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 1118249896 KOGLKVCGDIPQLU-XJKSGUPXSA-N 384.458 -1.110 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nc1 1120282888 YIGKJKYRXDSGSH-CYBMUJFWSA-N 377.426 -1.095 30 20 GAED C#CCN(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)[C@H]1CCS(=O)(=O)C1 1588348363 SHMKJBCQCHPKJW-JTQLQIEISA-N 379.406 -1.710 30 20 GAED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)c1 1795634996 JPSWJZHUIVPHBX-ZWUHOBOKSA-N 388.428 -1.318 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834196897 BHSWVNTZZACFGJ-SFHVURJKSA-N 389.364 -1.055 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835260908 DXBCLRSQCTUYDW-FZMZJTMJSA-N 380.488 -1.194 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)n1cnnn1 1835364246 NNIUNCPXZNIZKJ-XJKSGUPXSA-N 377.405 -1.006 30 20 GAED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835569382 QOLNKNQXABPOCD-MRXNPFEDSA-N 385.490 -1.155 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 349453977 BDZUSAFZEVMOSQ-NEPJUHHUSA-N 399.516 -1.199 30 20 GAED NC(=O)CNC(=S)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 1251751655 JCCBFRJWXNREJQ-UHFFFAOYSA-N 389.441 -1.186 30 20 GAED CNC(=O)CN1CCC(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 1322131734 DGVVVFHMVOVPAY-UHFFFAOYSA-N 387.444 -1.192 30 20 GAED CC(=NNCCS(N)(=O)=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 1776047154 XUZQKEXAKKGXDN-UHFFFAOYSA-N 378.432 -1.348 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1CCN(C)CC1 1783566043 XANVZDXOSNKWSC-KXBFYZLASA-N 392.456 -1.460 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1831387187 DZXQKXXDJCYVGP-SPYBWZPUSA-N 395.456 -1.007 30 20 GAED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)c1 1846034231 RAFYLBXMAWOTBQ-UHFFFAOYSA-N 375.429 -1.010 30 20 GAED C[C@@](C#N)(CC(=O)O)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 819866259 UFHPDCVIVOEYSA-SDBXPKJASA-N 375.359 -1.453 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1 843792945 XMAURZQOQABOLM-GFCCVEGCSA-N 377.386 -1.050 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 1335339500 INTBGPWIEUTASS-GFCCVEGCSA-N 394.457 -1.448 30 20 GAED N#CCSCC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 1592679702 ZTEBZWKSADVZGP-CQSZACIVSA-N 375.418 -1.029 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1783565075 IGCWRQLFUFRJQR-QGZVFWFLSA-N 390.352 -1.521 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381388 CKSGEKHSQWHPRF-VGWMRTNUSA-N 376.457 -1.028 30 20 GAED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 275907136 KEPBPQZELAPFME-GFCCVEGCSA-N 388.355 -1.055 30 20 GAED C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349480726 YBKOVTLJNZPUPG-GFCCVEGCSA-N 391.475 -1.452 30 20 GAED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C1 349488537 DXFQFSKWHRGWOJ-ZDUSSCGKSA-N 380.492 -1.051 30 20 GAED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(CC(N)=O)C(=O)C3)CC2)n1 410802665 QSZLBDGXVLJARW-UHFFFAOYSA-N 399.411 -2.242 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1=O 428630555 PLXKCTJOPKSRTR-ZDUSSCGKSA-N 391.428 -1.366 30 20 GAED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 581906356 UFIFBCBGDLMYQC-HUUCEWRRSA-N 399.407 -1.512 30 20 GAED O=C(NCC#CCNC(=O)[C@@H]1CN2CCCN1CC2)[C@@H]1CN2CCCN1CC2 681340823 PMXPWITUPMVDRI-ROUUACIJSA-N 388.516 -1.998 30 20 GAED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)[nH]1 990853044 RKFMJZYDCQAPEN-WVWOOGAGSA-N 382.384 -1.219 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785156478 VDNUMJUGFKWUQY-BJDJZHNGSA-N 392.368 -2.348 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839223833 ALESADBHTFZFKZ-SUMWQHHRSA-N 398.464 -1.273 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918211 MKJHKQNNNICKCO-SUMWQHHRSA-N 382.417 -1.851 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920797 MJCHBHXMFZJELQ-ACJLOTCBSA-N 398.460 -1.316 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)C1=O 266226150 SDWHQKONCLTRFC-NSHDSACASA-N 388.384 -1.073 30 20 GAED C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349459296 NDNRTFMHEMUCIG-LLVKDONJSA-N 387.505 -1.390 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(N2CCNC2=O)C1 594636027 NUORBVIRNUOXRY-UHFFFAOYSA-N 393.491 -1.363 30 20 GAED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(=O)Cn2cncn2)n1 1092980176 RFEQQGNNQSJHCE-UPJWGTAASA-N 381.400 -1.018 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)NCC)C2)CC1 1323543148 LRBLBTIICSSAKB-AWEZNQCLSA-N 377.445 -1.106 30 20 GAED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588500966 HGAJGNQFJBGOMR-BFQNTYOBSA-N 375.389 -1.177 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801201143 YWLMISUJQFDTCA-LXBXGBMDSA-N 394.428 -1.210 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831736565 HONWOLMCGVDLBI-QGZVFWFLSA-N 390.352 -1.660 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835542512 QOVSMOVBRLECHI-AWEZNQCLSA-N 375.318 -2.199 30 20 GAED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840159768 NBMFYMHYLDSEQA-BLLLJJGKSA-N 385.490 -1.399 30 20 GAED N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 263746018 FTULCLDVAXEZQR-UHFFFAOYSA-N 382.384 -1.354 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1129262107 MTMPTRBWHPSACP-BARDWOONSA-N 387.444 -1.729 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 1327401995 NQLJQCZHHYNHEC-GJZGRUSLSA-N 392.456 -1.274 30 20 GAED C=C(CNC(=O)CN1CC(=O)N(C)C1=O)CNC(=O)CN1CC(=O)N(C)C1=O 1329644332 IOQZXSCQCROKHR-UHFFFAOYSA-N 394.388 -2.437 30 20 GAED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073322 ZMYHIYCYTCIBSS-XQLPTFJDSA-N 379.413 -1.031 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)=O)CCO2 1834709541 CCQOEABJKLMXJJ-PYTPGESOSA-N 379.413 -1.110 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1839722722 IZZLICSPRCVIPD-QGZVFWFLSA-N 376.369 -1.503 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861646 DODVJZBHKIYYLS-KBXCAEBGSA-N 381.429 -1.253 30 20 GAED CCN(CCO)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 469624101 YJRLFSXNLDPRQC-UHFFFAOYSA-N 385.428 -0.433 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)c1C#N 590986100 UBTJHJGSWJBITH-GFCCVEGCSA-N 387.444 -1.014 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@@H]1C 848959918 VRACEIUPXZUHPF-LBPRGKRZSA-N 376.460 -1.685 30 20 GAED C#CCNC(=O)CNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1105285933 YRCBVNHSZSLZTI-OCABDXPQSA-N 384.440 -1.076 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1261178032 HBMGOWLZRIPMAE-NSHDSACASA-N 385.446 -1.428 30 20 GAED C#CCCCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1326756497 JEDPUECQQWWXFJ-UHFFFAOYSA-N 376.413 -1.274 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCO1 409482868 GQCQHVYTTIFHNI-CHWSQXEVSA-N 378.476 -1.045 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)C1=O 488289343 FKMZIBBMOBWXAT-NXEZZACHSA-N 382.373 -1.464 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 509354390 JLQJBGBABPAYSD-AGIUHOORSA-N 380.492 -1.447 30 20 GAED COC(=O)CNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 583761857 DLSVESLSAFVAMJ-SNVBAGLBSA-N 382.398 -1.370 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnc(O)nc1O 960685382 UINFLFCGQHCYNM-NOOOWODRSA-N 391.384 -1.074 30 20 GAED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1129054535 HCFXMQDXPVKBAG-XFMPKHEZSA-N 377.405 -1.937 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 1573286207 WGBDSXOAWIMQOQ-ZWNOBZJWSA-N 384.400 -1.089 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588358317 VUMNRDVNILOLSR-PWSUYJOCSA-N 375.389 -1.218 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833219223 RJSXOEUBQKEJGH-ARJAWSKDSA-N 394.472 -1.273 30 20 GAED N#CCC1(O)CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 473369918 PFLWUXASVVVALD-UHFFFAOYSA-N 378.410 -1.092 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 1024761827 CSSBIJYQPXPLJY-LPWJVIDDSA-N 380.401 -1.841 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)nn1 1326251150 SPZDZXIRNLVGBL-UHFFFAOYSA-N 389.460 -1.153 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)CN2CCCC2=O)cc1 1327135717 UMQDVALVLRGJKV-ZDUSSCGKSA-N 380.426 -1.064 30 20 GAED N#CCn1cc(NC(=O)C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)cn1 1601079164 QBWCWAMTAJEJLT-INIZCTEOSA-N 376.373 -1.267 30 20 GAED C=CCNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1755782698 BDJJADJZIRLIPL-ULSDXFBPSA-N 380.445 -1.170 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795849171 DNIMISLIJXIFBB-BEXDMUFCSA-N 388.428 -1.274 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1=O 284662225 UBNSVVOGLNNXFU-AWEZNQCLSA-N 379.461 -1.488 30 20 GAED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCNC(=O)C1 349469405 KMXZJVBGOCVAIQ-UHFFFAOYSA-N 397.438 -1.155 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCOCCS(N)(=O)=O)c1 598734149 FLOFFXPTHKRZLC-UHFFFAOYSA-N 390.443 -1.742 30 20 GAED CC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1130237941 KWYDNMWJIVSBIB-FQUUOJAGSA-N 390.444 -1.061 30 20 GAED Cn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)cn1 1193848769 AIVPPNIAYGHUIT-ANQUJSFKSA-N 390.444 -1.311 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)N1CCO[C@H](C#N)C1)C2 1325173490 YVPVVDKWWTZXIR-LLVKDONJSA-N 399.433 -2.582 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573285405 HLPGYOIRKPCEAP-FZMZJTMJSA-N 386.416 -1.501 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C(N)=O 349505865 SNYIZGRHMNNTSP-JTQLQIEISA-N 384.505 -1.606 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCN(C)C3=O)CC2)c1C#N 498841880 XXYJOIRJMSHFIZ-AWEZNQCLSA-N 387.444 -1.014 30 20 GAED C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 764374738 RYUGZOXUDYQNEN-CYBMUJFWSA-N 379.504 -1.235 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)CN1CCCC1=O 1324140897 YKZJHSKNFPICSA-NSHDSACASA-N 380.426 -1.175 30 20 GAED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262146 BJOKZWJYRWWOOU-BBRMVZONSA-N 375.491 -1.579 30 20 GAED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788758303 VUIWNQBHKVHMPO-XUXIUFHCSA-N 377.397 -1.255 30 20 GAED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839887456 CWPWJLRQYPCGBY-WFASDCNBSA-N 376.404 -1.060 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)o1 287061690 XAXAJCLYMWQGRT-NEPJUHHUSA-N 375.428 -1.073 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCO1 409485781 OWRGXGWLXGUSEY-ODXJTPSBSA-N 380.426 -1.148 30 20 GAED C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)OC 481784130 HBBHYNMECIMSBR-AVGNSLFASA-N 388.442 -1.118 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc(OCC(=O)O)cc2)c(=O)n(C)c1=O 771890404 QCPVUBWMXQVIOJ-UHFFFAOYSA-N 396.381 -1.140 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 848958955 OUCWLUOJUMXVCP-NSHDSACASA-N 380.448 -1.372 30 20 GAED C=CCn1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nn1 1326358659 LTJNICROLNBBSI-CYBMUJFWSA-N 396.473 -1.475 30 20 GAED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1575823839 VBPCIZCPLPAYSF-OCCSQVGLSA-N 379.421 -1.443 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@H]1O 1588358710 ZVMKCTGEQXHPSX-CYZMBNFOSA-N 386.416 -1.077 30 20 GAED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1836074437 AQYFHRAUPJWCTE-KRWDZBQOSA-N 392.368 -1.535 30 20 GAED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839880905 FWLFMIUDMDFUKK-SJKOYZFVSA-N 381.385 -1.945 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1840420941 CBLCIZUPYIEYIP-CXAGYDPISA-N 391.384 -1.617 30 20 GAED CS(=O)(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 571173316 QTMMMKJKYQWUCG-LBPRGKRZSA-N 386.455 -1.013 30 20 GAED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 595994674 INOANEFHRYJXQX-CABCVRRESA-N 397.439 -1.628 30 20 GAED N#CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 1117182107 IYKUFCUYTQAXRN-UHFFFAOYSA-N 387.462 -2.131 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1218638637 KCOJIFHNZYEADP-CBBWQLFWSA-N 377.445 -1.218 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)CCOCC)CC1 268145092 SCNNKXCVZPNTIN-UHFFFAOYSA-N 388.490 -1.774 30 20 GAED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 349478845 IEASBIQGFAATLI-NEPJUHHUSA-N 389.455 -1.196 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 447919440 UYOWZCFAPORTCI-CYBMUJFWSA-N 390.400 -1.523 30 20 GAED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C)c2)c1=O 758074704 BJAXBNLSOOFERJ-LBPRGKRZSA-N 385.449 -1.069 30 20 GAED COC(=O)c1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1C 790172147 KSIHKXHMGBXLCP-UHFFFAOYSA-N 383.386 -1.479 30 20 GAED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1=O 799129528 PKZGNGSORRGFLR-ZIAGYGMSSA-N 391.515 -1.092 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1261629755 PDZFHKAILGVFNJ-UHFFFAOYSA-N 392.456 -1.222 30 20 GAED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573308977 AKEHNAJZDDXEOR-HNNXBMFYSA-N 375.389 -1.175 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351011 CHZPWMFACSVYCX-OCCSQVGLSA-N 386.416 -1.501 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1792491444 WSJVFAWWAKWWTJ-FKJOCPDWSA-N 376.457 -1.004 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807616622 CJAGEJNQFRUFSU-CXAGYDPISA-N 383.368 -1.138 30 20 GAED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076958 YEYRXAVPGDHRJX-TXPKVOOTSA-N 377.441 -1.421 30 20 GAED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839643723 LVDUOLUCOMTNND-KDOFPFPSSA-N 381.429 -1.129 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)CC1 1332371467 DMDBUAQQUDYELZ-KBPBESRZSA-N 379.413 -1.643 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)nn1 1345710338 IDPOAGVHHXKBDF-CYBMUJFWSA-N 385.446 -1.258 30 20 GAED C#CCNS(=O)(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1573286094 TYJMELLHHQLELL-UHFFFAOYSA-N 393.389 -1.241 30 20 GAED Cc1cc(-c2nn[nH]n2)nc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1580681336 CTSRVXWCXDNLRJ-MNOVXSKESA-N 375.418 -1.112 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799140477 FTEJMRGOZSFWRX-KARBZBNUSA-N 381.473 -1.128 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837971838 JTHFRKORPVCOOE-GOSISDBHSA-N 392.364 -1.070 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1840841756 ULPXFDAGVFMVCV-RDTXWAMCSA-N 380.445 -1.551 30 20 GAED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 289473526 WLRFPJOEOHNKBH-UHFFFAOYSA-N 382.461 -1.302 30 20 GAED N#C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)CCO1 436130306 IKGXWRXWGWAKGD-IYBDPMFKSA-N 390.444 -1.894 30 20 GAED CNC(=O)Cn1cnc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 442251194 PRYTVVFRDCAVKU-UHFFFAOYSA-N 383.368 -0.876 30 20 GAED Cn1c(N)c(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)c(=O)n(C)c1=O 749810291 PHOSLBBOGDPHCO-UHFFFAOYSA-N 393.429 -1.052 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nn1 1023954674 HRCQAAWYPZNKBM-HKUMRIAESA-N 376.417 -1.320 30 20 GAED C#CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588354150 HATSUSUMYDAZMG-FZMZJTMJSA-N 386.416 -1.237 30 20 GAED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1836202591 PKELALJGTLRJIR-SFHVURJKSA-N 390.396 -1.264 30 20 GAED CC(CNS(=O)(=O)N(C)CCC#N)CNS(=O)(=O)N(C)CCC#N 549560821 UWJMVFZOMMPMGX-UHFFFAOYSA-N 380.496 -1.018 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1220030061 VAKNLZWQUPPXMP-JHZZJYKESA-N 380.445 -1.025 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783566333 UGEUEHQMWRPECS-BLLLJJGKSA-N 384.410 -1.519 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567476 RHYFAJZRKQKVHI-DLBZAZTESA-N 382.369 -1.480 30 20 GAED COC(=O)[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 289947278 OZSFFOUHJPQODA-GFCCVEGCSA-N 387.439 -1.001 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 502258496 OCZQHCXULZLOGH-LSDHHAIUSA-N 391.472 -1.298 30 20 GAED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)nc1 531630105 QKSFRSJUVPVXKA-UHFFFAOYSA-N 383.433 -1.120 30 20 GAED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)CC1 1573974004 MNBURPXTFWTBAG-LBPRGKRZSA-N 387.404 -1.179 30 20 GAED C#CCNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353620 YWONZKMYXIKYGB-GTNSWQLSSA-N 386.416 -1.501 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nn[nH]n3)n2)CC1 1588353990 MZKFXYDBAZPEBF-UHFFFAOYSA-N 391.417 -1.121 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1797708091 CUDLCWGREIQKCL-RGHULWKBSA-N 396.488 -1.258 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1797714633 YNYGNKMCIYXMFD-KARBZBNUSA-N 381.473 -1.128 30 20 GAED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797779657 PWMBEIQWDVBOJK-KOFHJDLBSA-N 387.396 -1.045 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 410992021 WBUPSJRIAXFTLT-CVEARBPZSA-N 377.489 -1.015 30 20 GAED COCCCNC(=O)[C@@H](C)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 505604583 BPMFNPFZDIFREQ-CYBMUJFWSA-N 392.460 -1.381 30 20 GAED COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 566486017 ABTXECJGQGNWFP-LBPRGKRZSA-N 390.443 -1.391 30 20 GAED C#CCN1CCN(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)CC1 748650200 QFNFBAJRFXMOBR-UHFFFAOYSA-N 378.820 -1.136 30 20 GAED N#Cc1nc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)[nH]c1-c1nn[nH]n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n2ccc(O)nc2=O)C1 968576614 PZBDZFLOIVGEPV-ZWUHOBOKSA-N 392.412 -1.382 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2c(O)nnc2O)C1 969430474 BNAAGAYQUYEMCP-NOHGZBONSA-N 381.389 -1.642 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1O 970702682 XASSIQPFTUXLFL-NDBYEHHHSA-N 380.401 -1.841 30 20 GAED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1330318737 NEWNXFQXCDSXQI-KGLIPLIRSA-N 383.474 -1.275 30 20 GAED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)CC(=O)NCc2cnn[nH]2)nc1 1575022653 RHEIBEDQJKRIDS-OAHLLOKOSA-N 385.428 -1.138 30 20 GAED C#CCNC(=O)CN1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 1588354320 KUNFECWHSPBLIR-UHFFFAOYSA-N 387.404 -2.485 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1797589991 YTQORMLPCXPORP-JPYZYGQNSA-N 375.447 -1.041 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1800776161 VHUCJRLSZBSXHJ-QHBPRCKVSA-N 399.363 -1.274 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 899902402 OELJVZWYGISINR-VIFPVBQESA-N 383.386 -1.100 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)nn1 1118180395 OMOMRMSLSAEKLS-UHFFFAOYSA-N 375.433 -1.497 30 20 GAED C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 1757482981 JUTQJQYFTDSJIB-CBBWQLFWSA-N 390.440 -1.534 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)CC1 1831568800 QJDZNTUUWFSUAL-SJCJKPOMSA-N 378.385 -1.145 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CC1 1835345417 LYKRJFWBIRKSHG-DEYYWGMASA-N 378.429 -1.531 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839223854 AXLDYTCCMCPUBR-JKIFEVAISA-N 385.465 -1.470 30 20 GAED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840321699 KZLLQAJHJOVRNX-MRXNPFEDSA-N 383.357 -2.113 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCNC(=O)c1ccn[nH]1)c1cc[nH]n1 278709039 QRUNCKWUXWCYCV-LPYMAVHISA-N 377.361 -1.037 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 298566410 FBXIIMLRHIAAEH-HZPDHXFCSA-N 385.424 -1.064 30 20 GAED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)CCC#N)c1 756465156 TYSDPQROQZVFRZ-UHFFFAOYSA-N 382.402 -1.102 30 20 GAED CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 946759447 JTSBCUHHEQPWLA-XJFOESAGSA-N 375.385 -1.125 30 20 GAED N#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 960949498 ZDZMWMJELUNLBG-BYNSBNAKSA-N 387.396 -1.029 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1109702060 RKYRKYIQNXKHSA-USWWRNFRSA-N 380.430 -1.858 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1325665750 DKDJUYIHDXTKBK-GFCCVEGCSA-N 383.430 -1.641 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 1325947486 MYRDSCIHDNVNRH-HNNXBMFYSA-N 389.460 -1.155 30 20 GAED C=CCn1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nn1 1326358662 LTJNICROLNBBSI-ZDUSSCGKSA-N 396.473 -1.475 30 20 GAED CC(C)(O)CN1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1328816788 PPTNEFKRXXXDLY-CCEZHUSRSA-N 393.444 -1.456 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1347038636 ICUVEVIGVVOXJK-LBPRGKRZSA-N 386.430 -1.034 30 20 GAED C#CCN1CCC(C(=O)NC[C@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1602718437 VDBKLRTVHQUDAV-CQSZACIVSA-N 384.444 -1.082 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1800781144 JTGJAYPDDXZVIQ-IVWMJMPLSA-N 377.397 -1.324 30 20 GAED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1800991038 QJKMKPBUOJBSFZ-OQMKEHIESA-N 376.413 -1.022 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC1 728531110 CCVDSBYXWKFFFY-HNNXBMFYSA-N 384.502 -1.058 30 20 GAED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 804958591 DQCUERVUWLWLOZ-CYBMUJFWSA-N 398.528 -1.136 30 20 GAED C#CCNc1nc(NCCN2CC[C@@H](O)C2)nc(NCCN2CC[C@@H](O)C2)n1 858812196 LYGSCFUCSSCTFZ-HUUCEWRRSA-N 390.492 -1.126 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 970671930 YYEFGZOUMOMAFC-CZXHOFHRSA-N 376.417 -1.333 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CC(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 995437924 WJCHWCUBODILCP-NDBYEHHHSA-N 385.442 -1.711 30 20 GAED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1109459547 RWBJZOCIIKOVSJ-ATGSNQNLSA-N 379.461 -1.349 30 20 GAED N#C[C@H](C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)N1CCS(=O)(=O)CC1 1341820837 JGNWTYNWAITJLS-FRRDWIJNSA-N 393.421 -1.097 30 20 GAED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588330414 BPURSSHGTCJCCV-CQSZACIVSA-N 396.411 -1.229 30 20 GAED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353938 BIVRCYBANJTZHS-KRWDZBQOSA-N 386.416 -1.235 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC2(CC(=O)O)CC2)CC1 1588485934 BUHCLKQUDWZPKC-UHFFFAOYSA-N 379.460 -1.344 30 20 GAED N#CCSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1592679518 SRMJRXMAEKVENZ-GHMZBOCLSA-N 376.402 -1.247 30 20 GAED CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2)C(=O)C(=O)O 1781541055 GUUQXSDGJCDNPW-SJKOYZFVSA-N 380.401 -1.043 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1783561318 NOIPMSXIICVLFV-GOSISDBHSA-N 379.413 -1.373 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788657386 YZOMOSVUGULMKZ-NUXNZHGMSA-N 395.412 -2.295 30 20 GAED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1792172253 NYNBYRWDUMZSAU-OBJOEFQTSA-N 399.411 -1.181 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn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n1c(N)c(C(=O)CN2CCN(C(=O)CC#N)CC2)c(O)nc1=O 519659229 XRNISFASOODAHA-UHFFFAOYSA-N 378.389 -1.582 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 970763381 OTMYGOFYLMZGDK-OXIQGZBJSA-N 380.401 -1.793 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1 1757174730 AIQGKPVATODNCT-NDBYEHHHSA-N 389.474 -1.407 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1835359859 MBHGWHGPTVGRQX-AEFFLSMTSA-N 396.444 -1.603 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840040955 HQFSNSRXHMWQRR-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1=O 105075241 DHLZRDAGHXGZQT-UHFFFAOYSA-N 391.306 -1.068 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(CCO)CC1 349475727 YMUSPPONTPQBBM-UHFFFAOYSA-N 388.471 -1.213 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)C1=O 369392816 UCODVQFDPKNANY-JTQLQIEISA-N 377.357 -1.542 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC1 477197597 VHHLSWLPDYAYHT-UHFFFAOYSA-N 390.506 -1.223 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)cn2)CC1 1588354464 ZBAGXDZPWAANOZ-UHFFFAOYSA-N 391.417 -1.121 30 20 GAED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044639 PEPYLWOKOGKSKH-YVEFUNNKSA-N 381.385 -1.945 30 20 GAED Cn1c(NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(C#N)c(=O)n(C)c1=O 264881526 RAXMXACGEGFPHS-NSHDSACASA-N 385.446 -1.144 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 574169394 ANNKCBRZIJCEOT-ZWKOPEQDSA-N 375.428 -1.085 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1635378586 ZIYKLJINSXUUHT-UHFFFAOYSA-N 397.461 -1.366 30 20 GAED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800987038 CNNKABABAFZHAT-XPCVCDNBSA-N 375.491 -1.819 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832483168 HNTUQNOEAGCOAP-GOSISDBHSA-N 392.412 -1.592 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=N)N)C3)C2)c1 1838735167 XXFVTVQRHCQLKJ-QGZVFWFLSA-N 389.416 -1.561 30 20 GAED O=C1NC(=O)N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]12 759628195 UIULBFTVDNQERH-NSHDSACASA-N 391.409 -1.122 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCN1C1CC1 1119015962 YSAQTWUKULFNHC-CVEARBPZSA-N 388.472 -1.392 30 20 GAED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1221698972 FLEHLVBSEZJLOD-TUVASFSCSA-N 377.445 -1.028 30 20 GAED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)cc1 1838949557 INNMVCLEQSASCR-SFHVURJKSA-N 375.381 -1.061 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCNC(=O)C1 272642369 CRXHFVDXFOBBKL-GFCCVEGCSA-N 379.442 -1.227 30 20 GAED N#C[C@@H]1COCCN1CC(=O)N1CCN(C(=O)CN2CCOC[C@H]2C#N)CC1 440732172 MCCOWRNGDKEFQT-HZPDHXFCSA-N 390.444 -1.894 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)CC1 501044266 JRDUHSWPHLENRS-AWEZNQCLSA-N 395.460 -1.220 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861352 RIBJKQRUFTXEPF-MRVPVSSYSA-N 386.386 -1.201 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1110909435 DMZYRYZMVSUTMC-QCNOEVLYSA-N 376.421 -1.055 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1320023415 WLRBFCIYYYVPEC-NSHDSACASA-N 391.471 -1.131 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 1324405873 ZDGKTNKGYYAEHX-LBPRGKRZSA-N 375.447 -1.543 30 20 GAED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588406227 RYNSVCINKWWJPU-LLVKDONJSA-N 376.377 -1.284 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1800776080 REDNVAKUQGHAMM-CULMDFNYSA-N 375.337 -1.216 30 20 GAED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1836669209 MIIADKACXKUEDP-LJQANCHMSA-N 393.488 -1.006 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CCC1 1840814866 JSRXEAZHNBEBJE-YZVOILCLSA-N 392.456 -1.141 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cc(S(N)(=O)=O)cn1 538428541 XKOIUPSKKJVGHT-LLVKDONJSA-N 390.429 -1.071 30 20 GAED C[C@H](CC(=O)N1CC[C@@](O)(C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 803161439 HLYXYABZFQPPGG-HWPZZCPQSA-N 380.426 -1.048 30 20 GAED NC(=O)[C@@]1(O)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 803162584 YSKSZWABDMHKGZ-MRXNPFEDSA-N 380.426 -1.046 30 20 GAED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1109306121 UAERBFKKLLSFPM-NDBYEHHHSA-N 375.433 -1.211 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H]1CCCO1 1342892834 IBOPERGPJSUNTI-HUUCEWRRSA-N 389.412 -1.023 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 1602721396 HVPLCDJMGPFISW-OCCSQVGLSA-N 385.432 -1.015 30 20 GAED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041501 QHWAIOCWXLNSAT-FDQGKXFDSA-N 381.429 -1.096 30 20 GAED C[C@](C#N)(NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CC1 11508474 SCISYDJHOPSXGJ-GOSISDBHSA-N 377.445 -1.202 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)N(C)C[C@H](C)C#N 558564660 DEJIUBCBRYPDCT-VXGBXAGGSA-N 380.496 -1.162 30 20 GAED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)s1 600767813 DNTXEWPODGXWEJ-UWVGGRQHSA-N 396.472 -1.486 30 20 GAED C#CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573285766 NBKXNANTNSSDFT-RISCZKNCSA-N 386.416 -1.237 30 20 GAED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 1581858059 OPGSJRFLGFQKFV-NSHDSACASA-N 387.404 -1.345 30 20 GAED CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)C(=O)O 1782746824 KGQRQUBWEPNYNF-KRWDZBQOSA-N 378.385 -1.337 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783255649 FJBBJTUHODFWCQ-GOSISDBHSA-N 382.461 -1.347 30 20 GAED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561585 ABUGSXAFGSFWJY-HNAYVOBHSA-N 386.408 -1.131 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077407 WCHGZCJVMGOUNR-XUXIUFHCSA-N 394.428 -1.238 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831425209 RSTRIOMHZKKGBW-PBHICJAKSA-N 394.432 -1.279 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csnn1)CCO2 1831751939 SLWIIZKXURKYRY-HNNXBMFYSA-N 380.382 -1.304 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOC)C(=O)C2)c1=O 768467353 FTHMYNMFRLPSTB-UHFFFAOYSA-N 379.417 -1.708 30 20 GAED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 817843480 YFHYRYYAZIGOEW-UHFFFAOYSA-N 381.396 -1.358 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)O)C1=O 833376248 PFYIYFGDFFUWQJ-ZJUUUORDSA-N 381.341 -1.172 30 20 GAED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 875600046 OFJVJRHFDQUNBW-MRXNPFEDSA-N 394.472 -1.466 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968881323 LKCLAZIYXVDPRO-MQYQWHSLSA-N 379.413 -1.292 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1024476026 GZNKWSLXOFPFLG-SYQHCUMBSA-N 392.412 -1.382 30 20 GAED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cn1 1116042173 SOGNRDVJPXNDNF-UHFFFAOYSA-N 386.437 -1.607 30 20 GAED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1129267001 TWZXZTSKVVRDMH-DGAVXFQQSA-N 388.432 -2.016 30 20 GAED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329455479 SUNKNSMHXDJESR-KGLIPLIRSA-N 383.474 -1.275 30 20 GAED C#CCN1CCC(C(=O)NC[C@H](O)CNc2cnc(-c3nn[nH]n3)cn2)CC1 1588351617 AYKDXGRETHWRJU-CYBMUJFWSA-N 385.432 -1.109 30 20 GAED CN(C)CC#CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1591011875 BHTIEAVJRHZYQD-UHFFFAOYSA-N 377.430 -1.174 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567478 RHYFAJZRKQKVHI-IRXDYDNUSA-N 382.369 -1.480 30 20 GAED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838218472 LYBPXTVQPYIGPC-SFHVURJKSA-N 388.380 -1.057 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839807273 XSZJFTDZYOLPEN-GOSISDBHSA-N 387.396 -1.670 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1840840381 PKVKFPREKHPLFU-GOSISDBHSA-N 392.412 -1.592 30 20 GAED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 275866643 DHFXJXFJCLJQHV-CQSZACIVSA-N 399.407 -1.290 30 20 GAED N#CCCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 444505462 DPFBOFNGNRKWMP-UHFFFAOYSA-N 387.444 -0.498 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 733150768 TZLVQOHKAYGMDU-INIZCTEOSA-N 391.472 -1.603 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746942260 FQSFGAOMZLXQPC-UHFFFAOYSA-N 375.341 -1.199 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1OC 946822434 VPMPUAKVELGVKH-YIYPIFLZSA-N 379.417 -1.485 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 959681268 NZELYNMFAIYNOF-BYNQJWBRSA-N 376.417 -1.069 30 20 GAED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1321366511 KUFHZAZSQKXHNJ-NEPJUHHUSA-N 394.475 -1.919 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1783566512 WEQLVPSPHPYBKN-QGZVFWFLSA-N 383.401 -2.809 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1792490280 LNDDYHPSJCIBQW-OLDVJPBNSA-N 378.429 -1.430 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800774204 SDKYJELMZPQBGD-KSPBDQMDSA-N 389.364 -2.021 30 20 GAED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)no1 349457674 KGDZWYPEASDQAE-UHFFFAOYSA-N 379.420 -1.200 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 964694512 RSHDIIQRGURYKJ-NDBYEHHHSA-N 392.416 -1.954 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1110567868 ITHFEULBYCASCJ-LPWJVIDDSA-N 376.421 -1.205 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1=O 1318802298 ZIBGMXUDWZFFJY-UHFFFAOYSA-N 383.386 -1.157 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795635767 KMNRWUGERLANLV-USRAEIGSSA-N 397.476 -1.030 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1835359861 MBHGWHGPTVGRQX-SJLPKXTDSA-N 396.444 -1.603 30 20 GAED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044579 MJFDOPGFJUCLSG-RDTXWAMCSA-N 381.429 -1.129 30 20 GAED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844674244 ISCRZEXIHDGJOQ-UHFFFAOYSA-N 381.348 -1.006 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)CC1 459882378 GLMQPASNPSRJRT-OAHLLOKOSA-N 381.477 -2.042 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 598767444 KDCJTIMOKPUOLQ-CHWSQXEVSA-N 387.439 -1.235 30 20 GAED C#CCNC(=O)CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735381014 JZSVZQGCBUVXDJ-MRXNPFEDSA-N 382.428 -1.240 30 20 GAED CCONC(=O)CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1327039787 ZVNMVRFIMZGXCB-UHFFFAOYSA-N 377.405 -1.567 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H](C)COC 1347002695 FDLUWODAZGGWFQ-ZDUSSCGKSA-N 380.445 -1.015 30 20 GAED COCCCN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@H]1CCS(=O)(=O)C1 1349331647 SNJUDLHZKLUZRI-XJKSGUPXSA-N 387.458 -1.084 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3ncccc3-c3nn[nH]n3)CC2)c(C#N)c1=O 1606202494 OCLRTNZDGLNSDM-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1791274636 UOWMWHKARUJLGK-GVXVVHGQSA-N 387.400 -1.018 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1797589990 YTQORMLPCXPORP-HMUNZLOLSA-N 375.447 -1.041 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)O 1831213011 JOAHDMVOMUWJDK-BEFAXECRSA-N 393.440 -1.081 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831398742 KCYNMMRBMWHYRL-QAPCUYQASA-N 391.428 -1.227 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831401926 JUDGVZAPBGFONH-CLCXKQKWSA-N 393.440 -1.383 30 20 GAED O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1839866601 GJCZOWXZRHZIMJ-KXBFYZLASA-N 375.425 -1.008 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840019999 JZDNQJMCLONWLP-LRQNFFAQSA-N 381.429 -1.318 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1840842368 DBEGVFWUDURSBI-YJBOKZPZSA-N 397.428 -1.079 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 349517294 ZXJDJQRPFOUFDY-OLZOCXBDSA-N 395.503 -1.301 30 20 GAED CNC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 378622251 NJCNRBBGLNZBCG-AWEZNQCLSA-N 376.417 -1.050 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 468658437 KVJOQMLATOFVNG-GXFFZTMASA-N 394.409 -1.275 30 20 GAED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2C(=O)NCC(=O)OCC)CC1 781906039 WSAZFGFSPSHMIH-OAHLLOKOSA-N 380.445 -1.856 30 20 GAED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201043289 WSWNKPOKCGINIK-UIBIWLFHSA-N 379.457 -1.006 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(S(=O)(=O)CC)CC1 1325660423 QRRFEQLNXZKIQV-UHFFFAOYSA-N 395.503 -1.366 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(CC(=O)NCc3cnn[nH]3)C[C@H]2O)CC1 1574967497 SZCMRVFGDODSSP-HZPDHXFCSA-N 389.460 -2.073 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3cnccc3-c3nn[nH]n3)CC2)c(C#N)c1=O 1592543404 JTZIDUDBOVBFGV-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1834758769 WQXAEZWZXSLYLJ-MRXNPFEDSA-N 377.357 -1.129 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1839806477 QKTBBDRRHVUDIU-BBRMVZONSA-N 387.458 -1.596 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCN1CCN(C(C)=O)CC1)c1cc[nH]n1 276668305 YVYAVYYOUDVMFH-LTGZKZEYSA-N 394.432 -1.026 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)CC1 349516007 CKHBRMUTOPPIIN-GFCCVEGCSA-N 390.487 -1.012 30 20 GAED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601473178 BTRKEBTXSXNKFN-MRXNPFEDSA-N 390.488 -1.191 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1O 964615066 DZOGQYAGTHULMF-ZZVYKPCYSA-N 392.412 -1.231 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)C(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 995443184 GSGFZUQQXQOHFE-NDBYEHHHSA-N 385.442 -1.711 30 20 GAED CS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1327769746 NQZNDIUZKJYEIV-AWEZNQCLSA-N 392.437 -1.064 30 20 GAED C=CCn1cc(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nn1 1345672383 UAELLRGEYCKXMG-UHFFFAOYSA-N 389.420 -1.364 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1757199327 XQNNNZAQCSEBSM-JEJJNBGPSA-N 379.413 -2.135 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783566338 UGEUEHQMWRPECS-WBMJQRKESA-N 384.410 -1.519 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1791076734 GRFLXQGAQYFMKQ-AYMQEEERSA-N 395.412 -2.295 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)CCC1 1793946237 DEARUESKILOESC-OPDFLTKYSA-N 389.412 -1.132 30 20 GAED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040054 NAWGPXKYLSKMCR-GOSISDBHSA-N 395.412 -1.555 30 20 GAED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041324 GLFHLZOKPAWHLM-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCO1 409482872 GQCQHVYTTIFHNI-OLZOCXBDSA-N 378.476 -1.045 30 20 GAED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)NCCOC)CC1 783303946 TXLXXRSLODIPEY-UHFFFAOYSA-N 376.479 -1.323 30 20 GAED N#CCNC(=O)CN1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@@H]2CS(=O)(=O)C[C@@H]21 1108473924 CAUOBWVJFTYABI-JFILPPLUSA-N 382.442 -2.028 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1792490467 ZGRWVAPJLFBJFA-KQLJBOCNSA-N 392.456 -1.039 30 20 GAED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831877521 URYVUCYOSZVXDN-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235178 MYLSYABXBZVFDN-MAUKXSAKSA-N 391.428 -1.227 30 20 GAED O=C(NCC#Cc1ccccc1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 419110691 IIJRVUIQZAUDPU-UHFFFAOYSA-N 390.465 -1.400 30 20 GAED N#Cc1ccc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 419289649 QXAUPVDLYJVVED-UHFFFAOYSA-N 391.453 -1.380 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H](C)C1 848959520 KHKDLINNDGGZTM-LBPRGKRZSA-N 376.460 -1.685 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)CC(=O)NC(C)C 1109486253 PAKGQLZSEFVMTP-PMPSAXMXSA-N 377.489 -1.086 30 20 GAED O=C(NC1CC1)C(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318721727 YNLQSOJFPRWDER-NXVVXOECSA-N 389.412 -1.148 30 20 GAED Cn1c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C#N)c(=O)n(C)c1=O 1319650596 DPUMYDZKMPJEKW-RYUDHWBXSA-N 383.430 -2.764 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCC1(CC#N)CC1)C2 1343809795 KWUHUOLVQBUNDD-UHFFFAOYSA-N 389.416 -1.715 30 20 GAED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575005199 XBJBFYFRUDGCNZ-JSGCOSHPSA-N 376.417 -1.091 30 20 GAED C#CCN1CCC(C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)CC1 1588352110 TVTGWIDTEXLWRS-CYBMUJFWSA-N 385.432 -1.109 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1834756050 KNTNGGCFNIOEGS-MEDUHNTESA-N 379.373 -2.045 30 20 GAED CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C/c3ccnn3C)c(=O)n2C)CC1 298282447 DHDWSPSKJQGLDP-DPWLMTOISA-N 386.481 -1.153 30 20 GAED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1129265749 CUEPAUMYSUCIBC-YJNKXOJESA-N 389.460 -1.354 30 20 GAED Cn1c(N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C#N)c(=O)n(C)c1=O 1592553743 XGUNVEBTYSKAJI-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1799394128 XJDNACJZSKEOIC-HAFSJTIUSA-N 397.476 -1.030 30 20 GAED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831190451 AZSLPUIZRMADRS-UGSOOPFHSA-N 395.412 -1.555 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235177 MYLSYABXBZVFDN-CRAIPNDOSA-N 391.428 -1.227 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)o1 286614480 MCXKQHCKAJGYPQ-UHFFFAOYSA-N 382.398 -1.157 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCNCC2)CCN1Cc1ccccc1 557310659 PQUMLPRZLMCNSD-KRWDZBQOSA-N 398.467 -1.229 30 20 GAED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@H]1C(N)=O 578206006 CWPQBEQXOCIATK-GHMZBOCLSA-N 380.492 -1.019 30 20 GAED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 737697262 ZNIFVXICHVPMTD-UHFFFAOYSA-N 379.358 -1.672 30 20 GAED N#CCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 739088240 STIBWBRKWFQDBX-UHFFFAOYSA-N 380.382 -1.143 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1024134496 CPVGZWNCBPMDMZ-MDHDOXDCSA-N 392.416 -1.954 30 20 GAED N=C1NCCN1CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664323 DMFIHTAACUOAOA-VIFPVBQESA-N 390.425 -1.017 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831402769 QYNFZSIRVJECJI-SUMWQHHRSA-N 382.417 -1.851 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(NS(C)(=O)=O)s2)C1=O 623224075 CXCDGULAIBWEFU-UHFFFAOYSA-N 388.387 -1.175 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2nn[nH]n2)C1 731880530 PCXMCTWRXCMYSO-JTQLQIEISA-N 377.386 -1.162 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nc(=O)n(C)[nH]2)C1 1070278131 QTNIIPGDHLENEZ-MQYQWHSLSA-N 388.432 -1.167 30 20 GAED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@@H]1n1ccnn1 1129850415 YSXYATDKZWXTOQ-TUVASFSCSA-N 389.460 -1.164 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 1325110696 HSFYYZMJUOSOHZ-GJZGRUSLSA-N 399.455 -1.072 30 20 GAED N#CCSCC(=O)N1CCOC2(CN(CC(=O)NCc3cnn[nH]3)C2)C1 1577710266 VKYJGZNQXYTUIE-UHFFFAOYSA-N 379.446 -1.409 30 20 GAED N#Cc1ncc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1-c1nn[nH]n1 1592708261 DYXVTVMQFDPJHQ-UHFFFAOYSA-N 396.371 -1.674 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1834389816 ROMUVOXJTRWORE-KRWDZBQOSA-N 376.369 -1.573 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)CC1 1835343050 YLVHFDUIRPUQMX-ACJLOTCBSA-N 393.444 -1.661 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840042098 AOZARRRNWBEBOS-MRXNPFEDSA-N 379.325 -1.462 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840043014 CBFGTIKVFLHMBF-QGZVFWFLSA-N 390.352 -2.072 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1=O 299527428 MIWSLLIIXGMTNX-UHFFFAOYSA-N 386.368 -1.067 30 20 GAED CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 809431133 MUQIXWRYVIPHAT-UHFFFAOYSA-N 380.430 -1.511 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1783567202 IKVAUWHCTMHNSL-SFHVURJKSA-N 377.397 -1.083 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1796108357 XOSKWDYLHCHLOC-DDFAGTSDSA-N 398.383 -1.680 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800576480 WVJIEDFJGBZBBB-CUSZFKRNSA-N 397.472 -2.099 30 20 GAED N=C(N)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835569968 GIEHXBFMOCBESC-FQEVSTJZSA-N 399.451 -1.022 30 20 GAED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846561428 CAJOOCHIHZACIK-CQSZACIVSA-N 387.396 -1.252 30 20 GAED C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349478921 TXDWWQKHSLICED-LLVKDONJSA-N 378.476 -1.156 30 20 GAED CNCCCc1[nH]nc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1C#N 535506777 HTIDLPFVWJGWGO-UHFFFAOYSA-N 399.415 -1.181 30 20 GAED C=C(CNS(=O)(=O)N(C)CCC#N)CNS(=O)(=O)N(C)CCC#N 595393511 QNSUYYFYLQDWLP-UHFFFAOYSA-N 378.480 -1.098 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 728533911 BQOMOAHZLHQIKY-USJZOSNVSA-N 384.436 -1.313 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 964692685 HCYWGIDBOTYBMS-WYUUTHIRSA-N 378.389 -2.344 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCS(C)(=O)=O 1117107869 QQAGJHXQRPIYAW-NSHDSACASA-N 380.430 -1.454 30 20 GAED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1321229551 CTWRAHUBCZVWCC-NWDGAFQWSA-N 380.492 -1.004 30 20 GAED C#CCNC(=O)C1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 1331759509 ONNZNCWJQYOUGS-UHFFFAOYSA-N 384.502 -1.012 30 20 GAED C#CCNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286120 UNDZFCKUPSXAOU-NEPJUHHUSA-N 386.416 -1.237 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1593330644 NDJXKUGDWILEGE-ZWNOBZJWSA-N 394.409 -1.021 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1OC 1757148058 LHIRGBDILYSJQJ-YIYPIFLZSA-N 389.474 -1.012 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793340440 HJZPLYZNINBODV-WHPHWUKISA-N 392.412 -1.788 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761160 RPCSDUZRRSWKDM-PBHICJAKSA-N 382.417 -1.492 30 20 GAED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 375536602 YQRDZDQNHDMZTK-UHFFFAOYSA-N 397.395 -0.534 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCO1 409540856 JYDCIOVFCYRZLY-AWEZNQCLSA-N 387.462 -2.068 30 20 GAED CCS(=O)(=O)NCCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 598983406 JWUPZYLNOXOVPR-UHFFFAOYSA-N 384.418 -1.284 30 20 GAED CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601419294 ILOFZVKTCDFKHO-UHFFFAOYSA-N 378.477 -1.287 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1111090526 QWDKWJFVDZHMJO-UTUOFQBUSA-N 375.385 -2.122 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1262492389 HCEKTNBRNWHOPM-CYBMUJFWSA-N 377.426 -1.095 30 20 GAED CNC(=O)CN1CCC(NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 1323182606 SMZJRVPWFOTBQY-UHFFFAOYSA-N 387.444 -1.192 30 20 GAED C#CCNC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575005173 WNPZTUMLNJRMBI-HOTGVXAUSA-N 389.460 -1.665 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 1609021602 LUKVJQNIAKOQJQ-LBPRGKRZSA-N 399.415 -1.540 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831391064 FHXXXYFETGVXSY-ZRGWGRIASA-N 393.440 -1.240 30 20 GAED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1832452008 OZDUFFCVBZRUMX-INIZCTEOSA-N 385.490 -1.155 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832475913 FKEYJPVPWPRWOJ-KRWDZBQOSA-N 393.400 -1.702 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835752783 SKMROSHMBXPUEQ-KBXCAEBGSA-N 380.445 -1.551 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncn(C)c1=O 960580290 DHBCTFZFCSKVAW-CBBWQLFWSA-N 391.428 -1.389 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 1024240642 NLDRDALVOIFOQA-CFAJVAMVSA-N 381.429 -1.486 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1O 1025711422 RZJMZDZBCFKPBZ-TUVASFSCSA-N 380.445 -1.961 30 20 GAED 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]1n1ccnn1 1129938075 LPGPSOJJHMKHNN-FTBKSCEHSA-N 384.440 -1.208 30 20 GAED CN(C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1)S(C)(=O)=O 1326242058 UWPZORSUFBDWNV-CJNGLKHVSA-N 386.474 -1.007 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)nn1 1332047604 WYWZVCXADJRUMX-OAHLLOKOSA-N 391.476 -1.397 30 20 GAED C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588359705 AJJLWHLDKOMMHA-LBPRGKRZSA-N 375.389 -1.216 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564832 NJIYXRUBDMCRPU-YVEFUNNKSA-N 380.401 -1.388 30 20 GAED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1812878095 COJYSUGKFMKZPY-CXAGYDPISA-N 383.368 -1.138 30 20 GAED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1834120254 GNJWGRWLMKWPEK-SFHVURJKSA-N 390.396 -1.113 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076612 UWRIPPADLQDTQJ-SUNYJGFJSA-N 380.445 -1.285 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839866653 HHLLEAGQNSSKTE-ZRGWGRIASA-N 393.440 -1.383 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847800650 RWGZRMARYNJNGO-PMPSAXMXSA-N 397.497 -1.043 30 20 GAED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 735380331 GCEFTONXPWXCBS-MRXNPFEDSA-N 399.455 -1.027 30 20 GAED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cn1 1253181574 CHFHTFRSRCAMFQ-CYBMUJFWSA-N 377.405 -1.750 30 20 GAED CC1(C)CN(CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1324576442 JTYFKGPJWAILFL-PFONDFGASA-N 393.444 -1.144 30 20 GAED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1329478834 HSSOHLKWGRIGCS-UHFFFAOYSA-N 380.445 -1.012 30 20 GAED Cn1c(N2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)c(C#N)c(=O)n(C)c1=O 1592553673 VXXGRMWOHHNNRA-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2nn[nH]n2)C1)c1cc[nH]n1 772225344 HPQNVHRWRFGBDA-JTQLQIEISA-N 378.349 -1.193 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 829929571 RJOSHWDZXZDAQF-RYUDHWBXSA-N 381.414 -1.590 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@H]2O)CC1 966004180 GAKDLYQXRWOUPJ-TWMKSMIVSA-N 390.484 -1.256 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1=O 1330133693 XGWDMLALNDULPN-UHFFFAOYSA-N 393.400 -1.840 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213056 JUXHIHRUHXZIET-HNAYVOBHSA-N 392.456 -1.551 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839237716 AGQFBBKRWYMLGK-MRXNPFEDSA-N 377.357 -2.178 30 20 GAED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC(CO)CO)cc1 267311408 DBWBQAKOAIWZMQ-RGEXLXHISA-N 398.441 -1.093 30 20 GAED CS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349482446 RRWOVJCSOMHOOI-UHFFFAOYSA-N 393.468 -1.094 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C(N)=O 349496264 GTIIXVIGZOBRJG-UWVGGRQHSA-N 384.505 -1.560 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCCC#N)CC2)CC1 609158248 YDGKTCUOOLGRJZ-UHFFFAOYSA-N 379.508 -1.270 30 20 GAED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 813981397 ODXKCMPJYYXBDW-RFHZTLPTSA-N 390.377 -1.079 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 831574344 DUTSUBQCZLRELL-LBPRGKRZSA-N 398.407 -1.139 30 20 GAED C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1)C1CCN(C)CC1 1588457923 JRGZERQROLMLDK-ZIAGYGMSSA-N 379.413 -1.125 30 20 GAED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1766945611 QJCMYHQDCNQBRS-NEPJUHHUSA-N 397.461 -1.151 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262149 BJOKZWJYRWWOOU-CJNGLKHVSA-N 375.491 -1.579 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1834563983 POCXBRXJBLKNOV-GOSISDBHSA-N 387.396 -1.670 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 522318631 LQWVUHCZFLXTHY-UHFFFAOYSA-N 375.433 -1.164 30 20 GAED CN1CCN(CC(=O)NCC#CCNC(=O)CN2CCN(C)C(=O)C2)CC1=O 672947510 QPKYKRVVKYRVJG-UHFFFAOYSA-N 392.460 -3.230 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1cc[nH]n1 770823103 ZEGDVOLSXZKVEK-UHFFFAOYSA-N 392.372 -1.106 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CCCO1 773800592 YBIGVORZPQWNFL-OLZOCXBDSA-N 385.380 -1.132 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1O 1023939463 DRHGBMRMUFTZQT-NHIYQJMISA-N 393.444 -1.441 30 20 GAED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588352980 CLBXPDLTYZLDNT-DGCLKSJQSA-N 388.432 -1.303 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781270912 OYIXUHIFFWFHAR-KRWDZBQOSA-N 382.417 -1.006 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C\C(=O)NC1CC1)CCO2 1783564456 KADMRPXMTAVTQH-JXCVUKRWSA-N 375.381 -1.261 30 20 GAED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564875 NXIPJPXOJMJWOE-SUMWQHHRSA-N 375.385 -1.168 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567192 CIDPFOSFYKYGQI-GUYCJALGSA-N 383.449 -1.483 30 20 GAED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1C 1840041262 AOBHFFFOLSUZSW-SFHVURJKSA-N 390.396 -1.113 30 20 GAED Nc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cs1 1840041797 ISPSAKCOSNMAPP-INIZCTEOSA-N 394.409 -1.117 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 349495105 LTVAQJZWDPMQAO-NSHDSACASA-N 391.475 -1.609 30 20 GAED C=CCN(CC(=O)OCC)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 804579074 MRJLVKNUXIOEBD-IWCJZZDYSA-N 393.400 -1.007 30 20 GAED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110889 NRXPRYMAIXBDIV-UOKLYIGXSA-N 393.429 -1.666 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800523712 OFMAGYMWJNQSFA-AYDFFVQHSA-N 391.472 -1.006 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777243 MEGJCGZJVVSXIG-OQMKEHIESA-N 381.385 -2.185 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264650 YBQDBPXYACCELG-RDTXWAMCSA-N 381.429 -1.383 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831401598 DGCOQSVLCFILBL-RDTXWAMCSA-N 378.381 -1.431 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835564828 XCJZBYSRQIDYFP-SJCJKPOMSA-N 396.400 -2.876 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092917667 GXDOJKTZEHMGJK-WOPDTQHZSA-N 379.446 -1.030 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1793348034 XMCUQYOXPUJQKI-CUSZFKRNSA-N 397.472 -2.099 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)c1cc[nH]n1 279049151 APWGZJPJMVRGHZ-SVZNOHIVSA-N 392.372 -1.106 30 20 GAED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349499438 FIPPPCGUBNVEJY-NSHDSACASA-N 378.476 -1.156 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)C1=O 437946316 JBYGOLPDYJDVFP-CYBMUJFWSA-N 380.401 -1.037 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CS(=O)(=O)CCO2)c1 516357092 RGMSHJZPEYQNGH-LBPRGKRZSA-N 387.439 -1.234 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 571575908 IXECXMBHQSZESI-LBPRGKRZSA-N 377.382 -1.401 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)no2)CC1 858995281 NEIXPYVPXHHKMI-UHFFFAOYSA-N 384.414 -1.093 30 20 GAED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NN1CCS(=O)(=O)CC1 862739086 RVKKRTXNJKNVJF-UHFFFAOYSA-N 386.455 -1.123 30 20 GAED C[C@@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CN(CC(=O)NCC#N)CCO1 1108089754 LQPLGOMFQBCGQR-KJGCVMFHSA-N 380.445 -1.115 30 20 GAED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257568 ZREVIPWABIGNOD-LJQANCHMSA-N 379.457 -1.484 30 20 GAED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778394 RVXXQHNYDPGVFA-FVCICTRLSA-N 390.396 -1.179 30 20 GAED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039852 BHKISYFFVWUFEU-KRWDZBQOSA-N 396.400 -2.198 30 20 GAED C=CCn1cc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nn1 425564418 LPTKXZYEXQLVMZ-UHFFFAOYSA-N 391.432 -1.323 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 728532679 HGAUYUQZHUIBNG-GOSISDBHSA-N 375.429 -1.400 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)COC)CC2)c1=O 917464229 GLYCEIGEFGXHAE-UHFFFAOYSA-N 379.417 -1.708 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 969221043 OHPJPVFYTCLMOA-ZNSHCXBVSA-N 379.373 -1.435 30 20 GAED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830048906 OZWCFGMJHZJIHN-KRWDZBQOSA-N 396.400 -2.198 30 20 GAED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)CC1=O 349491575 JJEDKKOVMIQAKM-UHFFFAOYSA-N 378.476 -1.202 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 349529484 ZWPGDPUCWYADCS-NEPJUHHUSA-N 378.476 -1.108 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 728534895 SHMDIVNKYSMAIA-UHFFFAOYSA-N 391.453 -1.622 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[n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c1cc(NC[C@@H](O)Cn2ccnn2)c(C#N)c(NC[C@H](O)Cn2ccnn2)n1 596269941 IDFFDGIIGJCGEO-KGLIPLIRSA-N 398.431 -0.609 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1 778735765 SXMGSRSBEWENHS-UHFFFAOYSA-N 378.476 -1.297 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3C(=O)CCC3=O)CC2)nc1 1322792065 JLMHJJQOTHIZDO-UHFFFAOYSA-N 384.396 -1.133 30 20 GAED C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2cnn[nH]2)cn1 1575004260 BYFNOEGBTMBKLU-CQSZACIVSA-N 385.428 -1.019 30 20 GAED Cc1nc(=NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n(C)[nH]1 349605704 VOGGQXPOMCTUNI-UHFFFAOYSA-N 376.464 -1.148 30 20 GAED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349620967 QCQUINYNMYVWJV-LBPRGKRZSA-N 393.491 -1.409 30 20 GAED CCNC(=O)CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1116045440 VTLKLLFVRXHDGX-NXVVXOECSA-N 378.433 -1.024 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 1193849850 PITFMSJIGPKTIS-KONPQCLYSA-N 389.456 -1.202 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112210 LDJPWZJFPCYHMK-KUHUBIRLSA-N 389.408 -1.220 30 20 GAED NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787426197 XHAQHAREQJAHLJ-ZZHJNMDZSA-N 397.476 -1.219 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1791072344 DPKPLGAXERCDPO-BJDJZHNGSA-N 392.368 -2.348 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798102692 KZDGCZSNLBYBAY-KEODLESXSA-N 388.336 -1.534 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1=O 298799850 NDKDQPLVYFFEID-UHFFFAOYSA-N 393.400 -1.841 30 20 GAED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)NCC#N)cc1 588077371 VMOLBBHTOCBCLA-RISCZKNCSA-N 396.425 -1.425 30 20 GAED C=C(CNC(=O)C1=NN2CCCN=C2N1)CNC(=O)C1=NN2CCCN=C2N1 620749588 GAASYJPCXJKSDT-UHFFFAOYSA-N 386.420 -2.268 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 967262465 NLDRDALVOIFOQA-LOUJCGABSA-N 381.429 -1.486 30 20 GAED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 990960777 NLKBBTFMPWWTJL-QXSJWSMHSA-N 393.407 -1.042 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC1 1261239074 CCGYALQHMQCWNB-UHFFFAOYSA-N 385.486 -1.136 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[C@@H]1CCCO1 1329627172 UHVSIOKTZGHJCV-CABCVRRESA-N 378.429 -1.120 30 20 GAED C[C@H](C(=O)NCc1cnn[nH]1)N1CC(CCO)(NC(=O)CSCC#N)C1 1575217594 ROFGBOOQQDLNKG-LLVKDONJSA-N 381.462 -1.381 30 20 GAED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O 1588655184 XSTPXDVNKAVERI-RDBSUJKOSA-N 386.416 -1.243 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679276 IYFWMGNOUHKGAE-QGZVFWFLSA-N 390.352 -1.521 30 20 GAED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079362 LPHAILUKRPHXQR-AVGNSLFASA-N 386.426 -1.511 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795522818 YKUREPDJVCPTBU-WDAIWFPHSA-N 389.301 -2.611 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835260910 DXBCLRSQCTUYDW-SMDDNHRTSA-N 380.488 -1.194 30 20 GAED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840042048 XPNLLXMEOJVMOG-SFHVURJKSA-N 390.396 -1.493 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840044078 JZQIMBBXUUREPP-GOSISDBHSA-N 380.397 -1.164 30 20 GAED COC(=O)CNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 583761856 DLSVESLSAFVAMJ-JTQLQIEISA-N 382.398 -1.370 30 20 GAED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 1253685932 SJZQVOAQFZZWDB-UHFFFAOYSA-N 383.433 -1.362 30 20 GAED N#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)[nH]1 1577712742 XKNYLIMIDUYSNL-HIFRSBDPSA-N 386.416 -1.124 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)O)C1=O 1602894628 PAWQTUWCZFKSGE-NXEZZACHSA-N 381.341 -1.172 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)CC1 1835343054 YLVHFDUIRPUQMX-UGSOOPFHSA-N 393.444 -1.661 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640561 YVTFZJWABVQUIU-BLLLJJGKSA-N 385.490 -1.399 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1=O 726042044 CMIPWEJNDOMWMP-QWRGUYRKSA-N 394.384 -1.381 30 20 GAED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)O1 854649172 RLKPAKOWSWMUBM-BKUVIOGVSA-N 384.389 -1.473 30 20 GAED C#CCN1CCN(C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 1320402178 AWVVGPZXBWASRE-HZPDHXFCSA-N 384.502 -2.461 30 20 GAED N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104517 KOESTMCENFLIGA-RKCKRZLHSA-N 396.448 -1.172 30 20 GAED Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n1 1791076843 JQDSPHKCWDIEPA-SRVKXCTJSA-N 390.400 -1.613 30 20 GAED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600942 LCHQCXJWHBAJBA-MIFYACCESA-N 379.461 -1.006 30 20 GAED NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1796339428 CBUXOFLKQPFWBY-USAWNBHBSA-N 383.449 -1.609 30 20 GAED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800987037 CNNKABABAFZHAT-GUIRCDHDSA-N 375.491 -1.819 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1829765146 IKSSPHWBIQDQHY-SFFCAUCYSA-N 394.472 -1.137 30 20 GAED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831217901 CPKJUHGZPUGHRW-BXWFABGCSA-N 377.441 -1.421 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834597963 SFYWJLNQWYNRRB-GOSISDBHSA-N 390.348 -1.202 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1834767808 YAKZTRPOXUNHKG-QGZVFWFLSA-N 384.433 -2.357 30 20 GAED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1840167194 CFKZOAALEVMAJN-BEFAXECRSA-N 394.472 -1.161 30 20 GAED CN1CCN(C(=O)CN(C)CC#CCN(C)CC(=O)N2CCN(C)CC2)CC1 640051730 XUIUKMHFNBHQLB-UHFFFAOYSA-N 392.548 -1.599 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 1117907079 QHJDXFUIKAQALC-BFHYXJOUSA-N 388.428 -1.006 30 20 GAED C#CCNS(=O)(=O)N1CCN(Cc2nnc(S(C)(=O)=O)s2)CC1 1321807017 UYUWYZLKPMLMRZ-UHFFFAOYSA-N 379.489 -1.473 30 20 GAED Cn1cc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cn1 1356131994 UINMDCZNTNUZSO-WCQYABFASA-N 393.425 -1.261 30 20 GAED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575013717 SODKCWDSAZBWTL-GUYCJALGSA-N 379.417 -1.171 30 20 GAED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21)C(=O)C(=O)O 1790634098 AZIOMGDJZMBCQU-AVGNSLFASA-N 392.412 -1.187 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012174 BMBGUQRDBLZSBD-YFKFIEJBSA-N 377.313 -1.391 30 20 GAED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1825665139 VNVSWZHOMXRFFO-MRVPVSSYSA-N 375.370 -1.170 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388378 PFXJJFWZMMWDFN-KSSFIOAISA-N 397.428 -1.081 30 20 GAED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039647 BQRLIKQPJRSECU-SJCJKPOMSA-N 381.385 -1.958 30 20 GAED CCN1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC)[C@@H](C#N)C1 602358236 SCYDWUHCSDLFBB-GVDBMIGSSA-N 393.488 -1.009 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785654518 FTUICWNDZOZLNX-ZDUSSCGKSA-N 382.417 -1.278 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC(=O)N(C)C[C@H]3C)CC2)c1C#N 839337636 WFPNAOISAZDSLV-GFCCVEGCSA-N 387.444 -1.062 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 1117059335 CRLVDBDUFOENMX-INIZCTEOSA-N 391.516 -1.026 30 20 GAED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1CCN(C)CC1 1781098395 KXWHNNYKIVNBLB-BEFAXECRSA-N 392.456 -1.460 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782745804 WAIFENQIRKNSRY-ACJLOTCBSA-N 395.412 -1.602 30 20 GAED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783895794 WPZDZHAUDANBIU-BJOHPYRUSA-N 393.429 -1.426 30 20 GAED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1784380443 HCHOCYZVVPGDEW-KKUMJFAQSA-N 388.424 -1.069 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1792485959 YWYPMSVPTYPPNG-IEWDVVTQSA-N 388.428 -1.123 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793345137 XBMWSYCQKQHUAG-JFILPPLUSA-N 390.444 -1.053 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831328190 BJPZZSYYKOUTBL-XJKSGUPXSA-N 387.458 -1.596 30 20 GAED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)O 1835756914 QSTKJSCMHQQLHX-DYVFJYSZSA-N 382.417 -1.191 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1840041857 LCNJOZWMTHLXDG-HNNXBMFYSA-N 378.345 -2.783 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 573467237 OBCWIBHXABJDDG-UHFFFAOYSA-N 377.426 -1.521 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)C1=O 615945094 NFWHFVWDYGVDJS-SNVBAGLBSA-N 387.418 -1.863 30 20 GAED O=C1NC(=O)N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]12 759628190 UIULBFTVDNQERH-LLVKDONJSA-N 391.409 -1.122 30 20 GAED CNC(=O)Cn1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 1320563759 XGFDUCTVKIWOOS-UHFFFAOYSA-N 391.432 -1.358 30 20 GAED C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322942482 NHBKCAFFIHOUSF-TZFAWSOVSA-N 379.417 -1.534 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2C(=O)NC(C)(C)C2=O)C1=O 1337777227 NIUVLRNYJJXOKJ-UHFFFAOYSA-N 379.373 -1.200 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)[nH]c2C)CC1 1602724942 IBFXXOAFUQHSTN-UHFFFAOYSA-N 378.418 -1.271 30 20 GAED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C1 349504859 SQJBWJBFEYFDBY-AAEUAGOBSA-N 380.492 -1.004 30 20 GAED C[C@H](NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N)C(N)=O 349560889 CEBRXSMEWSXMBW-UWVGGRQHSA-N 384.505 -1.560 30 20 GAED Cn1c(N2CCN(c3ncccc3C#N)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1606217085 ANIFLINGBVKWHH-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381994 RGAVTRVVWJLUCS-VGWMRTNUSA-N 376.457 -1.028 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1835667297 AXMWRGYKMLMMQO-QGZVFWFLSA-N 384.433 -1.965 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 728608545 GSFMPJSFTGIMJI-UHFFFAOYSA-N 394.453 -1.394 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 754803516 QTYFWPVMNBJJPD-UHFFFAOYSA-N 384.418 -1.133 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 831569128 XZLCQHOUPBKIMN-LBPRGKRZSA-N 380.417 -1.436 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](OC)C1 944933125 ATVVMONOULBYFB-APIJFGDWSA-N 393.444 -1.177 30 20 GAED C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1193049208 KRCUSDZEUBGGPA-KLHDSHLOSA-N 386.456 -1.045 30 20 GAED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1196819180 CZFRIJSFUAYZPO-KCYZZUKISA-N 377.445 -1.248 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)CC1 1588485241 JQIDLIADDAILQD-QWRGUYRKSA-N 389.434 -2.241 30 20 GAED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1cnnn1 1782606992 NUVYLPSQESQONN-OGHNNQOOSA-N 390.400 -1.164 30 20 GAED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1)C(=O)C(=O)O 1786697905 FMZUFQBUSFAJTO-AVGNSLFASA-N 392.412 -1.187 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141838 AMPHEADQCQRHPC-PBHICJAKSA-N 394.432 -1.279 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837515619 XTDVMHLNCQCPME-AEFFLSMTSA-N 396.444 -1.603 30 20 GAED Nc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840042046 XMQQHNFQIULQMN-MRXNPFEDSA-N 394.409 -1.117 30 20 GAED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840158117 FRVXECYLWAKHEK-SMDDNHRTSA-N 380.488 -1.194 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN2CCOCC2)CC(=O)OC)C1=O 264822421 ZEULPMSVADOSSG-UHFFFAOYSA-N 396.400 -1.703 30 20 GAED COC(=O)CN(CC#N)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 609992471 CPZOBFZUEWAOCC-UHFFFAOYSA-N 382.354 -1.233 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 749253661 USYDEIHLOVHLPE-ZDUSSCGKSA-N 376.394 -1.026 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)CC(=O)NC(C)C 1110767361 PAKGQLZSEFVMTP-OAGGEKHMSA-N 377.489 -1.086 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCO1 1340447075 UCWRYRVKWNFYTB-ZDUSSCGKSA-N 376.373 -1.569 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)c(-c3nn[nH]n3)cn2)CC1 1588353917 LMKPKMVSOKTFFT-UHFFFAOYSA-N 390.429 -1.204 30 20 GAED C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588500969 HGAJGNQFJBGOMR-XHBSWPGZSA-N 375.389 -1.177 30 20 GAED NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818447 NMYCCRJKNHZVTO-IVWATFPQSA-N 397.432 -1.227 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832326719 LYQNEZYRVXQMKF-KRWDZBQOSA-N 393.400 -1.702 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832331917 ABUWRKIIJQWNBD-GOSISDBHSA-N 392.412 -1.592 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 468657439 FXLIGVGOXIAQFJ-ZDUSSCGKSA-N 379.394 -1.027 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850773 SQPWMYVWHHVOAU-MRXNPFEDSA-N 383.412 -1.206 30 20 GAED CN(C)C(=O)CN/C(=N\CCNS(C)(=O)=O)N1CCN2C(=O)CC[C@@H]2C1 262244050 APAJHFGGXDADFT-GFCCVEGCSA-N 388.494 -2.124 30 20 GAED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 275866640 DHFXJXFJCLJQHV-AWEZNQCLSA-N 399.407 -1.290 30 20 GAED N#Cc1c(NS(=O)(=O)CCCS(=O)(=O)NCCO)nc2n1CCS2 349607118 UEOSKXMACADQAJ-UHFFFAOYSA-N 395.488 -1.096 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 368224425 JUOIRLXVBNXBLZ-ZIAGYGMSSA-N 378.410 -1.048 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)CC2)c1C#N 581209630 HBDULESLFKJOSG-LLVKDONJSA-N 396.473 -1.202 30 20 GAED C=C(CNC(=O)[C@@H]1CN2CCCN1CC2)CNC(=O)[C@H]1CN2CCCN1CC2 620748804 ZLMGPNLSYMSTHO-HDICACEKSA-N 390.532 -1.445 30 20 GAED C#CCN1CCN(C(=O)CN(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 748809790 KJYSBBNSNUQXAN-OAHLLOKOSA-N 384.502 -1.611 30 20 GAED N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 834517022 PBURBUFYXNDWAB-GXTWGEPZSA-N 377.426 -1.352 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)O1 1119140826 JUGAFRWCUXPERQ-KFWWJZLASA-N 377.445 -1.063 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1783527987 DXMYSECALZLWEC-VMPYYGSESA-N 392.456 -1.039 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786734062 RBKGKVCHNDXXOC-IHRRRGAJSA-N 377.397 -1.324 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(S(C)(=O)=O)C1 349467879 SYDCWGJSXOUGFA-JTQLQIEISA-N 387.505 -1.391 30 20 GAED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 540454707 VVDIKJRISQFGEN-UHFFFAOYSA-N 383.478 -1.168 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]21 1083198753 PFCXQMYGFQWGEU-FXUDXRNXSA-N 392.456 -1.553 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1220046077 PIPCAQWSDOXOOC-RNGZQALNSA-N 394.472 -1.039 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 1261193621 AWLUHRBLPODBPV-UHFFFAOYSA-N 376.457 -1.045 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041954 RRLJTYMWUFISOR-SJCJKPOMSA-N 396.400 -2.876 30 20 GAED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 330454970 NUTGABCBUBGROM-HNNXBMFYSA-N 379.461 -1.002 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)nc1 595988667 QBTQTYMOIGWFQR-CABCVRRESA-N 397.439 -1.628 30 20 GAED C=C(CNC(=O)Cc1n[nH]c(=NC)s1)CNC(=O)Cc1n[nH]c(=NC)s1 620747637 DGZIIYONQXHFRR-UHFFFAOYSA-N 396.502 -1.109 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 735380418 GSOVGHCAFHKTQZ-UHFFFAOYSA-N 396.455 -1.150 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1O 1023939621 IUWWWVNGBOWCGU-XNDJQWLSSA-N 379.373 -1.435 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1327975454 ZXUGQVCRXNLSRK-AWEZNQCLSA-N 385.490 -1.168 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)NCc1cnn[nH]1 1575053159 DIRQGTDLOQKIQR-YCPHGPKFSA-N 380.449 -1.189 30 20 GAED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588351580 ZTFCKETZTNLOGF-UHFFFAOYSA-N 389.441 -1.078 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)CC1 1588351766 JBPCZSONHBYSOL-CABCVRRESA-N 397.443 -1.332 30 20 GAED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1C 1780435847 HGDFSRUEGDFSNY-QGZVFWFLSA-N 376.369 -1.040 30 20 GAED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565391 SKBJJHYOMSNPBA-GOSISDBHSA-N 378.429 -1.848 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)N1CCN(C)CC1 1834765313 DCTBNWHSKAGXHM-QFBILLFUSA-N 393.488 -1.008 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839080009 XRAOGRGEUFOETK-GDZNZVCISA-N 381.385 -2.746 30 20 GAED CC(C)C/N=C(/O)NC(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 330957875 WGNJUAZNRCBZPM-UHFFFAOYSA-N 381.437 -1.365 30 20 GAED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 349478846 IEASBIQGFAATLI-NWDGAFQWSA-N 389.455 -1.196 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 468636232 YOCUTJWSOLEVAN-CYBMUJFWSA-N 394.409 -1.321 30 20 GAED N#Cc1cncc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 583901288 WKZBBVNVDBORQL-KGLIPLIRSA-N 386.455 -1.271 30 20 GAED C#CCN=c1nc(N2C[C@H](CO)OC[C@@H]2C)[nH]c(N2C[C@H](CO)OC[C@H]2C)n1 804557477 PZSPTEUZKVYXON-LXTVHRRPSA-N 392.460 -1.489 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CCN2C(=O)CCNC2=S)CC1 847446565 PWJUDAVFXFAQND-UHFFFAOYSA-N 379.486 -1.233 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1O 964192782 FCOAEGJVYAFHFB-FQLMCAECSA-N 393.444 -1.359 30 20 GAED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793568391 VFIBGIPPRQKFOE-WCXIOVBPSA-N 381.473 -1.051 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796141178 NIZYOKGXFAXCFK-CULMDFNYSA-N 375.337 -1.216 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835750725 ZMMFAODCMMTFGE-HWWQOWPSSA-N 388.490 -1.646 30 20 GAED COCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041602 WXYKVCVTWKPIEZ-QGZVFWFLSA-N 384.385 -1.806 30 20 GAED NS(=O)(=O)[C@@H]1CCCN(CC#CCN2CCC[C@@H](S(N)(=O)=O)C2)C1 367464282 RGZSDNRQCRLZLG-ZIAGYGMSSA-N 378.520 -1.504 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)S(N)(=O)=O 551429552 VOOHQBMKNWPDGW-JQWIXIFHSA-N 381.414 -1.274 30 20 GAED C#Cc1cncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 990961091 SSQRJDCTZODISA-QXSJWSMHSA-N 393.407 -1.042 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1109971824 LGFQGZDVFBEBFC-MQYQWHSLSA-N 375.429 -1.260 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1117219751 KQLXIJXUHVFRMS-AWEZNQCLSA-N 390.444 -1.051 30 20 GAED C#CC1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 1118184083 UNWRKZWCIVDVFG-UHFFFAOYSA-N 390.440 -1.612 30 20 GAED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1220347079 HDVXNSWFCYTZQB-CBBWQLFWSA-N 382.461 -1.395 30 20 GAED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCOC[C@H]1CCCO1 1322678410 JWDOCRARGZYUEQ-DKASORFFSA-N 380.401 -1.059 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575005074 UFCQQIQDILEVSW-HZPDHXFCSA-N 389.460 -2.073 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602721658 RQPSLBQMXFTWFP-STQMWFEESA-N 385.432 -1.593 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784485902 SSZKVLCHTRNYAK-UYLCUJDWSA-N 379.457 -1.273 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)CC1 1790908237 HVSUDDLBHCSWFV-JYJNAYRXSA-N 394.472 -1.444 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264648 YBQDBPXYACCELG-KDOFPFPSSA-N 381.429 -1.383 30 20 GAED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n[nH]1 1840042360 PYYYYWGBSWCEIW-SFHVURJKSA-N 390.396 -1.195 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CSCC(=O)N2CCOCC2)CC1 264206434 UYDUVUWSRGXYSO-UHFFFAOYSA-N 396.513 -1.138 30 20 GAED COC(=O)CN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 523133450 CGTBYTMLXYIULE-UHFFFAOYSA-N 394.409 -1.054 30 20 GAED CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600767455 ABBKUFWAAKKBDD-AVGNSLFASA-N 397.475 -2.312 30 20 GAED Cn1c(N2CCS(=O)(=NS(C)(=O)=O)CC2)c(C#N)c(=O)n(C)c1=O 820591945 SQFLKHZOXBPNEQ-UHFFFAOYSA-N 375.432 -1.797 30 20 GAED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 1219821527 PITFMSJIGPKTIS-CBZIJGRNSA-N 389.456 -1.202 30 20 GAED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 1318372946 BGQRGIIVUMZZJC-UHFFFAOYSA-N 399.432 -1.848 30 20 GAED N#Cc1ccc(S(=O)(=O)CCN2CCN(CCS(N)(=O)=O)CC2)nc1 1324133678 PMXPHMDZMADHJL-UHFFFAOYSA-N 387.487 -1.367 30 20 GAED N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 834517023 PBURBUFYXNDWAB-JSGCOSHPSA-N 377.426 -1.352 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1O 1023942497 ZKRMTQANYUWCLL-NHIYQJMISA-N 393.444 -1.359 30 20 GAED C=CCn1cc(CNC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)nn1 1328081045 NREDDRNZXHUDDH-ZDUSSCGKSA-N 377.449 -1.216 30 20 GAED C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354034 DPVHIMCGSXIQTL-SNVBAGLBSA-N 384.400 -1.089 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1783558345 XGIYHDYCHCKGEL-MRXNPFEDSA-N 378.341 -2.544 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1791265087 AHHBKNJLFBBSES-QPSCCSFWSA-N 389.518 -1.429 30 20 GAED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793764758 ZXBSVZDAZRKTIG-FVCICTRLSA-N 376.413 -1.069 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829959896 KWJQJXOENAHNCP-FZKQIMNGSA-N 393.396 -1.943 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837396367 BLFQKPAGEIPHRP-ACJLOTCBSA-N 397.476 -1.501 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839811267 PLSXDEXEPHVAHA-GOSISDBHSA-N 390.396 -1.653 30 20 GAED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 287052045 SSEHYMFSDQYAQQ-INIZCTEOSA-N 385.472 -1.036 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 409594264 APVXNHNUVCHKMY-JHJVBQTASA-N 380.492 -1.590 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 728589918 MZJXXIRAEGAKEJ-UHFFFAOYSA-N 389.441 -1.282 30 20 GAED C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)CCC#N 728920163 BUIYAPCFUWTANI-SNVBAGLBSA-N 376.373 -1.263 30 20 GAED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c[nH]1 990864756 CEDAGKIBBGEJJH-RQJABVFESA-N 382.384 -1.219 30 20 GAED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1319804239 FUZAPAKGIUQULF-CYBMUJFWSA-N 379.417 -1.019 30 20 GAED C#CCOCCC(=O)N1CCOC2(C1)CN([C@H](C)C(=O)NCc1cnn[nH]1)C2 1575014255 ZIASDQLTASMJNX-CQSZACIVSA-N 390.444 -1.238 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1792490263 KLSWSOQTOLCYIS-REWMNQOOSA-N 392.456 -1.041 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)CC1 1795407962 JPXLVVQBJXADGE-GNXNZQSNSA-N 375.385 -1.568 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1800777495 UUUWFTQLDJLCGI-DPIQGUFMSA-N 388.380 -1.043 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800779036 MNKBKSKKQIAOHF-FVCICTRLSA-N 383.401 -3.049 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)CCC1 1840922165 BINVFRLSZDZDIK-QGZVFWFLSA-N 379.417 -1.195 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(C(C)=O)CC2)c1=O 67768850 CVHZRTNSINKYED-UHFFFAOYSA-N 377.401 -1.766 30 20 GAED C=CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 823919294 BOSPSRYGQKGFIP-JTQLQIEISA-N 393.429 -1.048 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1110734860 JVZRELIGAUWFQQ-NGFQHRJXSA-N 377.445 -1.902 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1196820171 VZFYMNXLJKPAOG-KCYZZUKISA-N 375.429 -1.801 30 20 GAED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1326845715 KKKRNTDEDKMCGS-ZIAGYGMSSA-N 390.444 -1.143 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797801607 VLCPFVALMNQFIG-KSPMYQCISA-N 395.456 -1.735 30 20 GAED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800985605 KXUDKSMJZNVGGN-UOKLYIGXSA-N 393.429 -1.666 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831398741 KCYNMMRBMWHYRL-MAUKXSAKSA-N 391.428 -1.227 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426532 BNWHJDIYUMEAPN-RDTXWAMCSA-N 381.429 -1.431 30 20 GAED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839880903 FWLFMIUDMDFUKK-PXAZEXFGSA-N 381.385 -1.945 30 20 GAED N#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 66474054 XTIIQORUCRIFCB-UHFFFAOYSA-N 378.414 -1.198 30 20 GAED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@@H](O)C1 349466205 QFCBAURSYLYJCE-LBPRGKRZSA-N 380.448 -1.922 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 468652288 HJUKOCHRWSFWOQ-ZDUSSCGKSA-N 394.409 -1.008 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785654511 FTUICWNDZOZLNX-CYBMUJFWSA-N 382.417 -1.278 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1=O 1324373108 KMRXTVJBWPUOJB-LBPRGKRZSA-N 376.373 -1.089 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1328816033 ORRCPCZVQAAAEJ-OLZOCXBDSA-N 377.463 -1.092 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)C(=O)CC(=O)NCc2cnn[nH]2)C1 1575013831 UUORSGWKWQCFGJ-JSGCOSHPSA-N 376.417 -1.091 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112211 LDJPWZJFPCYHMK-LIRRHRJNSA-N 389.408 -1.220 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793343031 GZDPQYWOMHZFRW-VXIBKDFQSA-N 392.500 -1.138 30 20 GAED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1834402923 FOMWESWMTWDJSI-UHFFFAOYSA-N 395.504 -1.242 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1834756048 KNTNGGCFNIOEGS-BDJLRTHQSA-N 379.373 -2.045 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132174 NCGKNDUZKPZQKR-MAUKXSAKSA-N 391.428 -1.227 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840041614 XNYMQAMVUWMLGD-YVEFUNNKSA-N 379.369 -2.191 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c1=O 298794702 RHXTYPRWKRMWMJ-UHFFFAOYSA-N 392.412 -1.091 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCC(=O)NCC#N 820444804 LXXRWCQSGAQGKN-VIFPVBQESA-N 393.385 -1.284 30 20 GAED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(CCO)CCN1CCOCC1 1323178175 SQZFMSREVLVSEW-NXVVXOECSA-N 381.433 -1.151 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1=O 1325907081 PZXGVDVNHBHGFZ-STQMWFEESA-N 386.474 -1.228 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C)C(=O)[C@H]3C)CC2)c1C#N 1348241349 ZNQGWYLUZQLZIL-CYBMUJFWSA-N 387.444 -1.062 30 20 GAED C[C@@]1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CN(CC(=O)NCC#N)CCO1 1575783064 QUNMBNMECQASSH-MRXNPFEDSA-N 387.404 -1.345 30 20 GAED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790636988 FITPJDARXKYPLY-IHRRRGAJSA-N 379.413 -1.078 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833278756 SOJIFETZUDTLQA-SFHVURJKSA-N 389.364 -1.522 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838503333 OZKFNAFXDMGPDB-LJQANCHMSA-N 397.391 -1.207 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264087 ICWFTLKARMQLLB-SJCJKPOMSA-N 397.453 -1.314 30 20 GAED C=CCSCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 419146929 IWGAVMNHVWGPMA-UHFFFAOYSA-N 376.504 -1.532 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 609196559 ZAXBVMBEAGRNLJ-UHFFFAOYSA-N 391.409 -1.065 30 20 GAED C[C@H](C(=O)O)n1cccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 833405069 BWEVVWCKUNXFBX-SECBINFHSA-N 383.386 -1.157 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2OC)CC1 942128382 LKGARLMLKNWNRO-QKPAOTATSA-N 376.457 -1.205 30 20 GAED C#CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573285765 NBKXNANTNSSDFT-FZMZJTMJSA-N 386.416 -1.237 30 20 GAED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O 1602863360 VGXNUMXUGFHKQP-MCIONIFRSA-N 386.416 -1.243 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1793354749 OLXLEHJUKVMMJR-AIUMHDJVSA-N 394.428 -1.235 30 20 GAED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CC1 1797303649 FUOJDLOJKVKMMU-JLVBRIDZSA-N 377.445 -1.346 30 20 GAED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349534527 HAKIFCNADLSPEM-ZDUSSCGKSA-N 378.476 -1.250 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1111131058 WBUXAALUKXJMNF-NLXVHPKQSA-N 375.429 -1.002 30 20 GAED CN(CC(=O)NCC#CCNC(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O 1254655815 UBEAGWBTLIKHQL-UHFFFAOYSA-N 382.464 -2.995 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1323712954 MUOLFUPJHHXSOO-NSHDSACASA-N 381.476 -1.756 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 1327249736 CVLOMQLQCOWLAK-UHFFFAOYSA-N 386.459 -1.398 30 20 GAED CCN1C(=O)[C@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CCN2C1=O 1328685177 NGJGVPRURSQPEX-CYBMUJFWSA-N 376.417 -1.415 30 20 GAED O=C(NCCn1cc(-c2nn[nH]n2)c(O)nc1=O)c1cccc(C#CCO)c1 1582528297 NWBMJHHUHUMWKX-UHFFFAOYSA-N 381.352 -1.097 30 20 GAED C#CCO[C@H](C)C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588356046 RVHGRFGVBCGBJS-LLVKDONJSA-N 387.400 -1.074 30 20 GAED NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787426131 RAAPCQMPWNJIKW-UYRAHUEXSA-N 377.445 -1.036 30 20 GAED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1840159637 JHPOSQGITPOQDR-MKBNYLNASA-N 388.490 -1.646 30 20 GAED N#Cc1cncc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 583901290 WKZBBVNVDBORQL-ZIAGYGMSSA-N 386.455 -1.271 30 20 GAED CN1C(=O)CN(CC(=O)NCC#CCNC(=O)CN2CC(=O)N(C)C2=O)C1=O 1335171491 FVJFNGBMWSVBRG-UHFFFAOYSA-N 392.372 -2.990 30 20 GAED C=C(C)COCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1347096236 ZTQXIWAFWNEGNB-UHFFFAOYSA-N 394.428 -1.485 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C)C(=O)[C@@H]3C)CC2)c1C#N 1348241367 ZNQGWYLUZQLZIL-ZDUSSCGKSA-N 387.444 -1.062 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)CCO1 1561648816 UEOWOWILIJTMPI-ZDUSSCGKSA-N 378.476 -1.045 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2occc2C(=O)O)CC1 1602726831 USMUBHOOTPVUKG-UHFFFAOYSA-N 377.400 -1.248 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1792489787 SJLNQNSAVCDLKI-ZPLBFSLTSA-N 378.429 -1.431 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835566660 NSIJQZOLCGHRNL-KSSFIOAISA-N 380.445 -1.551 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839807641 IPRFGAWTWKQWEX-KRWDZBQOSA-N 399.469 -1.498 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)n1cnnn1 1840475941 PEFSVNXSYVNXCH-CZUORRHYSA-N 377.405 -1.006 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCOCCS(C)(=O)=O)c1cc[nH]n1 277983891 MOTWVRRYLMOHGT-QGOAFFKASA-N 390.418 -1.129 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846966653 GSNJCPFZLLOMNV-NSHDSACASA-N 395.507 -1.023 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1109701767 DUPBFQBHCWEJHD-MIMYLULJSA-N 381.418 -1.968 30 20 GAED C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219649752 KRCUSDZEUBGGPA-FPCVCCKLSA-N 386.456 -1.045 30 20 GAED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329455488 SUNKNSMHXDJESR-UONOGXRCSA-N 383.474 -1.275 30 20 GAED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCCNc3ncccc3C#N)CCN2C1=O 1340480595 YYUYUWIFALJTTD-ZDUSSCGKSA-N 399.411 -1.024 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 1341183024 RONLMCKQPZXVCS-JKSUJKDBSA-N 376.457 -1.046 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)CC1 1348264326 OIMAVYLEWFXWJQ-HUUCEWRRSA-N 386.522 -1.585 30 20 GAED C=CCOCC(=O)NC[C@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)CCO1 1575110567 UCTBJINVIVGXMF-ZDUSSCGKSA-N 380.405 -1.643 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797439260 NUCIOOOYLRWVCQ-DPIQGUFMSA-N 388.380 -1.043 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1=O 377744512 RSSMZCKGZIXKKU-AWEZNQCLSA-N 393.444 -1.514 30 20 GAED O=C(N[C@@H]1CCN(O)C1=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1O 820175477 YQNFGAMBPKEUKR-GHMZBOCLSA-N 378.341 -1.168 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@H]1C 848959916 VRACEIUPXZUHPF-GFCCVEGCSA-N 376.460 -1.685 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)C1=O 854718791 CJCYMHQPSCOAOL-SNVBAGLBSA-N 384.389 -1.035 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC(=O)N3CCOCC3)CC2)nc1 1342035419 JGJBFMMDFDUBBH-UHFFFAOYSA-N 386.412 -1.423 30 20 GAED Cn1c(N2CCC(NC(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O 1559216734 LDBUEQPVEDDEGT-UHFFFAOYSA-N 376.417 -1.034 30 20 GAED C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1588330829 KUMBQOVTUVHWKY-ZDUSSCGKSA-N 396.411 -1.229 30 20 GAED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076639 BOVQIOLQJUDQGD-XUXIUFHCSA-N 377.397 -1.255 30 20 GAED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1791259730 DZIOKSQLNQIMPG-NGDQXYMTSA-N 384.458 -1.118 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1800773595 PRYZISSDQHFSHH-CULMDFNYSA-N 375.337 -1.623 30 20 GAED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830396691 BTYWUSFCHRCDFU-LJQANCHMSA-N 396.440 -1.548 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132176 NCGKNDUZKPZQKR-YJBOKZPZSA-N 391.428 -1.227 30 20 GAED C=CCN1CC[C@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1=O 329524765 QOUYKWYXVVTONN-LBPRGKRZSA-N 380.492 -1.473 30 20 GAED N#Cc1cccc(CCNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c1 424498723 JUCUUVSXFRURMB-ZDUSSCGKSA-N 379.394 -1.073 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(C)nn(C)c2OC)CC1 480153556 NTNNHBVTZZPAPW-UHFFFAOYSA-N 392.460 -1.200 30 20 GAED COC(=O)Cn1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nn1 576750015 RTSZHXBXQZMEEW-UHFFFAOYSA-N 392.397 -1.083 30 20 GAED C#CCN(C)CCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 815860629 UOWKBLNJRPEAQW-UHFFFAOYSA-N 390.444 -1.248 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1O 1023942200 PTKVBXBBKLIRFD-CFAJVAMVSA-N 381.429 -1.486 30 20 GAED N#Cc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c[nH]1 1320721887 VZIZOZNHQAZYRK-CYBMUJFWSA-N 379.442 -1.053 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 1322621039 FSCAQHNAQGPBMX-UHFFFAOYSA-N 399.455 -1.067 30 20 GAED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCOC[C@@H]1CCCO1 1322678411 JWDOCRARGZYUEQ-TZFAWSOVSA-N 380.401 -1.059 30 20 GAED C#CCNC(=O)[C@H](C)N1CCN(CCNC(=O)CCCc2cnn[nH]2)CC1 1574986310 ZDUHGKWWHLRNSR-HNNXBMFYSA-N 375.477 -1.001 30 20 GAED CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783565394 SKBJJHYOMSNPBA-SFHVURJKSA-N 378.429 -1.848 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)CC1 1795410951 AOCGLAFVZPNKSV-LXTVHRRPSA-N 378.429 -1.470 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1835354000 JQDAOKBUPPHIST-GUYCJALGSA-N 381.433 -1.661 30 20 GAED C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349499673 FTHJHFVLPXHCJC-GFCCVEGCSA-N 391.475 -1.404 30 20 GAED N#Cc1ncn(CCNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 367574103 GMWOCFIOUGBLJB-ZDUSSCGKSA-N 397.461 -1.014 30 20 GAED Cn1c(N)c(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c(=O)n(C)c1=O 727011762 AQRYUSJMABDVNR-UHFFFAOYSA-N 399.363 -1.306 30 20 GAED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cn1ccc(=O)n(C)c1=O 766979759 KJIIFRGPCRMBMJ-UHFFFAOYSA-N 378.366 -1.068 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)Cn1cncn1 1110148022 DHKYTSFRUWNWKL-RDBSUJKOSA-N 375.433 -1.582 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1110909434 DMZYRYZMVSUTMC-KKOKHZNYSA-N 376.421 -1.055 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCN1C1CC1 1119014613 OKRQRCYKEKVGJG-GFCCVEGCSA-N 390.473 -1.032 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778789820 GOYMZPJEUZCRBI-XJKSGUPXSA-N 383.357 -2.031 30 20 GAED C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779226722 YNQKHKLABYYCKT-GUYCJALGSA-N 375.385 -1.168 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1783561931 QQSSZVGDUBCHEL-QGZVFWFLSA-N 379.369 -1.253 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788138445 SXLLFWSFVMMYDJ-IHRRRGAJSA-N 393.396 -1.104 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnn1 1840044756 VSNBILXIAIGLNM-GUYCJALGSA-N 391.384 -1.617 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841890496 MXTRDNALMDUWPA-PLNGDYQASA-N 389.412 -1.400 30 20 GAED CN(c1cnccn1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349463758 VIDQVRAUGWBISC-UHFFFAOYSA-N 389.459 -1.077 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC)C1=O 460496938 ZZCRLRPWZXYRQA-SECBINFHSA-N 387.370 -2.238 30 20 GAED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600765393 AHZMGMOCQDQDRH-RYUDHWBXSA-N 390.443 -1.548 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 848959155 CHBRFMBPBBGOEF-UHFFFAOYSA-N 386.459 -1.398 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2O)O1 1025677261 WJYYKPAYCFTBSD-TUVASFSCSA-N 389.412 -1.176 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 1588621097 VKLVYUBNVSBMMG-PWSUYJOCSA-N 397.403 -1.196 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(=O)O)n2)CC1 1609162116 FRWJIOQJPADPHQ-UHFFFAOYSA-N 381.414 -1.197 30 20 GAED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783891165 ZRXDUQBTTJRSLH-ZWNOBZJWSA-N 381.391 -1.141 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC)nc2)CC1 274491685 FMBQXKZPXUGYFY-UHFFFAOYSA-N 393.469 -1.113 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 567916015 GCNMPODGLJMONL-TZMCWYRMSA-N 377.426 -1.393 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 1219660854 LQDPKFIZFNKXKA-YJNKXOJESA-N 381.477 -1.110 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564830 NJIYXRUBDMCRPU-SJCJKPOMSA-N 380.401 -1.388 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839810040 ARYALUWQYUNFDH-QGZVFWFLSA-N 376.369 -1.349 30 20 GAED Cc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC2 349572513 UWPMJNQDVAUSEC-LBPRGKRZSA-N 390.491 -1.004 30 20 GAED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1CCCO1 773562312 WRTGXYGZOLFEDK-HOTGVXAUSA-N 399.517 -1.013 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(=O)OC)C1=O 833375865 IEPZGUROFOSNDA-ZJUUUORDSA-N 381.341 -1.172 30 20 GAED CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1348535642 PGEOCQHVZZBVLG-MRXNPFEDSA-N 390.488 -1.146 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(-c3nn[nH]n3)cs2)C1=O 1588654221 BQWCDQNCUMFJKA-UHFFFAOYSA-N 376.358 -1.084 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 1757198660 HOUASDLDAJVBNO-XFMPKHEZSA-N 389.474 -1.453 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780124934 JLQUBNNZCCJPKZ-FZKQIMNGSA-N 388.380 -1.015 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796959177 XMKAASRGMQVXKB-GNXNZQSNSA-N 384.352 -1.585 30 20 GAED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1799304209 YETOXTCJOLUWGV-DRXBFXEBSA-N 392.412 -1.039 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840595574 ARLYBLDVHPDJCW-GOSISDBHSA-N 380.397 -1.164 30 20 GAED C=CCSCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 286438775 HWZIKKYHAWGRCD-UHFFFAOYSA-N 396.473 -1.489 30 20 GAED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 510037142 ASLYHSYWSPKNPA-LBPRGKRZSA-N 385.446 -1.242 30 20 GAED CN(CC(=O)NCCN1CCNC(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 510938621 LMQRIEUDIGXORX-UHFFFAOYSA-N 379.442 -1.273 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)CC1 761032408 HHFSSJLTUDHTNV-UKRRQHHQSA-N 388.490 -1.225 30 20 GAED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 1116236976 NHECQNFIRRKIII-UHFFFAOYSA-N 391.432 -1.358 30 20 GAED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@H]1O 1196185095 ORWPKJFEDIXIQO-YYIAUSFCSA-N 384.436 -1.563 30 20 GAED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 1325845375 JBGNIZHPAQLDDO-UHFFFAOYSA-N 386.437 -1.781 30 20 GAED C#CCNC(=O)CN1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1329869501 YBQQDDGYYIHCFV-UHFFFAOYSA-N 387.444 -2.199 30 20 GAED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1812877528 KDRDPEKBRJGLMH-LLDVTBCESA-N 386.408 -1.102 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1835354001 JQDAOKBUPPHIST-SUMWQHHRSA-N 381.433 -1.661 30 20 GAED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041428 LWXNRAKRFMVTPC-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1840844144 GFOURLUKGJNPQB-GOSISDBHSA-N 395.412 -1.601 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](NC(N)=O)C1 349461450 JTCFZAGJYVYNHC-GHMZBOCLSA-N 381.480 -1.377 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C(=O)OCC)cnn2C)CC1 731446057 QOSXLFDUOWPPME-UHFFFAOYSA-N 390.444 -1.098 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2scnc2C(=O)OC)CC1 765112284 PSJIFWFAZVMICI-UHFFFAOYSA-N 386.455 -1.015 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1CCS(=O)(=O)CC1 862733559 GJOBLIQUPCYGOT-LLVKDONJSA-N 386.455 -1.013 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(nnn3CCOC)C2)C1=O 1117734415 WLAMHQDNFYGMQW-UHFFFAOYSA-N 376.373 -1.214 30 20 GAED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 1129898194 PTFLNVHRFRYNBS-FQLMCAECSA-N 378.433 -1.274 30 20 GAED C#CCN1CCN(c2nnc(-c3cn(C)c(=O)n(C)c3=O)n2CCOC)CC1 1341934332 MESVPFLIJYPKSZ-UHFFFAOYSA-N 387.444 -1.256 30 20 GAED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CCO1 1577706817 VNUORYWCTMFNHS-GJZGRUSLSA-N 390.448 -1.774 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1783557386 GJYKUYIJYRSPLS-SFHVURJKSA-N 389.364 -1.781 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1793344093 HTOGHXRZEUXOSL-JHZZJYKESA-N 397.428 -1.321 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831388538 URMJHNODIZBYJY-KDOFPFPSSA-N 381.429 -1.383 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)CC1 1839870014 PAZZGJQXKOJGMG-SCLBCKFNSA-N 376.413 -1.117 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847261867 HFHBMHOYFNQPHU-AQOMGGLKSA-N 392.456 -1.303 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)nn1 424538679 DHXLGISGFNCQTO-CQSZACIVSA-N 375.433 -1.497 30 20 GAED N#C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)CCO1 436130302 IKGXWRXWGWAKGD-HZPDHXFCSA-N 390.444 -1.894 30 20 GAED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CCC1=O 595961811 UKRKALHJDJCXSJ-UHFFFAOYSA-N 391.475 -1.451 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 761022755 DGTREPCGBMNLNT-OAHLLOKOSA-N 385.490 -1.801 30 20 GAED CC#CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 798202623 ILQULJMXXKNEMF-UHFFFAOYSA-N 399.450 -1.110 30 20 GAED CN(C)c1c(C=NNc2ccc(S(N)(=O)=O)cn2)c(=O)n(C)c(=O)n1C 807962843 QBNLZYQZQWLHGL-UHFFFAOYSA-N 381.418 -1.362 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2O)nn1 1023770921 HDYNOZIQVHKIGY-QHSBEEBCSA-N 378.433 -1.515 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1783566601 FKBGBTRQSBGUFX-QGZVFWFLSA-N 388.336 -1.294 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1793348035 XMCUQYOXPUJQKI-XLMAVXFVSA-N 397.472 -2.099 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800773056 DIMBBHZWAJAIEU-CULMDFNYSA-N 391.340 -1.531 30 20 GAED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830631163 AKUUSVDVOLXCNM-YJBOKZPZSA-N 382.413 -1.062 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834196894 BHSWVNTZZACFGJ-GOSISDBHSA-N 389.364 -1.055 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 265637206 URJVDTSFAPIJNK-UHFFFAOYSA-N 381.458 -1.430 30 20 GAED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(CC(N)=O)C(=O)C1 593605568 HQVMHHRXODDZEA-UHFFFAOYSA-N 380.382 -1.337 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)c2c(O)nc(=O)n(CC)c2N)CC1 728573242 MEKNKBNTKYLKKF-UHFFFAOYSA-N 376.417 -1.899 30 20 GAED O=C1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCN(O)C3=O)c2)CCN1 816754023 UUWTYNVHUQOSLZ-ZDUSSCGKSA-N 396.425 -1.083 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1O 964615339 NJFYWMKPPMAUOX-MQYQWHSLSA-N 379.417 -1.749 30 20 GAED C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H](n3ccnn3)[C@H](NCC(=O)NCC#N)C2)O1 1129912730 XMDAOSHMXSHWCN-APIJFGDWSA-N 390.448 -2.022 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1=O 1251653822 PAMOBKJQHZIAEW-UHFFFAOYSA-N 393.400 -1.440 30 20 GAED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C1 1345991310 SZFOOLVXRYKEDX-RYUDHWBXSA-N 381.385 -1.326 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CC1 1588354769 YYSSABUPFLNRIU-UHFFFAOYSA-N 395.470 -1.016 30 20 GAED C[C@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777183 KAMCDVQUOBZYBB-JRATXPSKSA-N 387.396 -1.045 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800777320 PUYYSQJHGHNMFJ-YFKFIEJBSA-N 392.286 -1.231 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cc3c(cc2O)OCO3)c(=O)n(C)c1=O 771892313 PTRTUVLADXFKJG-UHFFFAOYSA-N 382.354 -1.169 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1OC 1082149960 XZRUDHXAQPCFCP-APIJFGDWSA-N 380.445 -1.649 30 20 GAED N#CCNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1108555763 YGGFKOXNMVBMOI-ODRUYCQJSA-N 387.440 -1.549 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257542 ZFIJAVUBRYMJEW-VQIMIIECSA-N 399.488 -1.306 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784282451 ARVRSABMKPWZPN-AVGNSLFASA-N 379.369 -1.494 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)CC1 1786696323 UVCDZKZFMCYXRS-VGWMRTNUSA-N 392.456 -1.080 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1792490247 RAJOWLAORHHBCF-SVECEJSWSA-N 389.412 -1.690 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800777434 STUJEQHWQIJNLF-DRXBFXEBSA-N 386.364 -1.302 30 20 GAED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836150600 VAPCNKQTEUMOEL-KRWDZBQOSA-N 376.417 -1.067 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)CC1 777817224 COSNCCMRHCXSDN-UHFFFAOYSA-N 393.535 -1.024 30 20 GAED C#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668355 QOSODECKSGKHKU-UHFFFAOYSA-N 379.394 -1.287 30 20 GAED C#CCNC(=O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1068383299 LDBFAMLTSXLBBT-JSEZXORMSA-N 387.436 -1.011 30 20 GAED C=CCOCC(=O)NC[C@H]1CCC2(CN(CC(=O)NCc3cnn[nH]3)C2)O1 1575110496 RJWBHHARQSNYAL-CQSZACIVSA-N 378.433 -1.027 30 20 GAED COC(=O)C[C@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@@H]1CC(=O)O 1606447263 WQISRXKJXGYELA-STQMWFEESA-N 380.401 -2.372 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793942009 RFSBUQCNOYTPJB-ZHZXCYKASA-N 394.428 -1.235 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCOCCS(N)(=O)=O)cc1 584413028 RATNPBMCHLHOEM-UHFFFAOYSA-N 390.443 -1.742 30 20 GAED C=C(CNC(=O)CNS(=O)(=O)CC)CNC(=O)CNS(=O)(=O)CC 620748250 OGHVWDHXESQVFE-UHFFFAOYSA-N 384.480 -2.346 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](OC)C1 943806503 BQDJMKPSSMWBCV-CHWFTXMASA-N 379.373 -1.171 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1O 1023960695 SUNBJXGTOWSYKL-LPWJVIDDSA-N 389.412 -1.142 30 20 GAED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cn1 1340838387 OYTKNBFRMYGIEU-UHFFFAOYSA-N 389.416 -1.652 30 20 GAED N#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)[nH]1 1577712743 XKNYLIMIDUYSNL-ZFWWWQNUSA-N 386.416 -1.124 30 20 GAED N=C(N)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1786807749 AZPUKOPLGJANAH-UOIIZVASSA-N 393.492 -1.079 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089294 LWADBQRYZOAIEE-AJNGGQMLSA-N 376.417 -1.309 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1795600931 KNLVZOYRUIYLPR-AYDFFVQHSA-N 391.472 -1.006 30 20 GAED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564104 HJSXVOLSPZWXIH-HNAYVOBHSA-N 394.472 -1.161 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837270422 BNTBIENMCAJLMY-MRXNPFEDSA-N 377.405 -1.310 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)NS(C)(=O)=O)c1 277835262 ZPBSUYSALDDCLN-UHFFFAOYSA-N 387.439 -1.206 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)C1=O 424501485 FLEVKNXFERCRRZ-MNOVXSKESA-N 387.414 -2.058 30 20 GAED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 584802855 PBCALPYMLDRASP-OLZOCXBDSA-N 395.507 -1.294 30 20 GAED C#CC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CC#C)C(=O)OC)O1)C(=O)OC 854910569 XOKPZVFOWMZWJX-SYQHCUMBSA-N 378.381 -1.104 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 1326078360 JRYZDFVJLKHVHD-KRWDZBQOSA-N 376.417 -1.236 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793942003 RFSBUQCNOYTPJB-AIUMHDJVSA-N 394.428 -1.235 30 20 GAED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840039937 DPZHVCWHAAYVEV-IBGZPJMESA-N 393.440 -1.127 30 20 GAED O=C1CS(=O)(=O)C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 999262398 ZZNMFUCVEPWYFR-RFGFWPKPSA-N 379.438 -1.439 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)N(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1094662281 KMYFPPPZBZWAQF-BARDWOONSA-N 385.486 -1.025 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1326804342 QVXQASFDEKIBOC-UHFFFAOYSA-N 380.401 -2.718 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 1332840641 IBUPOWMDWAKOCZ-UHFFFAOYSA-N 387.506 -2.249 30 20 GAED C#CCNC(=O)[C@H](C)N1CC2(CN(C(=O)CCOCc3cnn[nH]3)CCO2)C1 1574985873 NUWKZKHKNKPTPI-AWEZNQCLSA-N 390.444 -1.238 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 1588621098 VKLVYUBNVSBMMG-ZYHUDNBSSA-N 397.403 -1.196 30 20 GAED N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065203 VPWKGYGNQDHUMJ-LJQANCHMSA-N 391.472 -1.002 30 20 GAED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1783049464 ZPJKPSIBPKHXDH-INIZCTEOSA-N 378.410 -1.085 30 20 GAED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@H](O)N1CCOCC1 1797801008 OYOOGDFCNCHRPC-HIRMHNASSA-N 377.441 -1.360 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856686 DUWALDLPQCUPII-KDOFPFPSSA-N 381.429 -1.383 30 20 GAED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839880906 FWLFMIUDMDFUKK-YVEFUNNKSA-N 381.385 -1.945 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839919778 BPNAMMXGOKMPCC-SFHVURJKSA-N 385.461 -1.695 30 20 GAED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CCCc1[nH]nc(N)c1C#N 583039570 LFDZDIGQFLGFBG-VIFPVBQESA-N 388.432 -1.021 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1117392350 ZHOFLEHGGCOPDH-UHFFFAOYSA-N 389.474 -1.349 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 1261178031 HBMGOWLZRIPMAE-LLVKDONJSA-N 385.446 -1.428 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783564502 KNKUVPZGAAPGEB-NVXWUHKLSA-N 381.385 -2.445 30 20 GAED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077704 SBPOPXWEFSGTGW-AVGNSLFASA-N 396.469 -1.462 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1835354908 JSQORNFDXUWRND-KRWDZBQOSA-N 393.400 -1.702 30 20 GAED C[C@@H](C(=O)N1CCOCC1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 443900917 WZIODHCIWOKGNZ-ZDUSSCGKSA-N 390.444 -1.675 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)C1=O 582602380 CQAUOFXOJALPJJ-ZDUSSCGKSA-N 391.428 -1.226 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)n(C)c1=O 754804135 WVUXFBJHTWVCMD-QGZVFWFLSA-N 388.384 -1.215 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1109466911 DPGUPCCIJYDKEZ-WCVJEAGWSA-N 375.473 -1.380 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](C(=O)O)C2=O)CC1 1588485455 PPMIVBWSOPDLSR-GFCCVEGCSA-N 386.430 -2.079 30 20 GAED C=CCNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588656914 BWAKEJVYJNXUGB-JQWIXIFHSA-N 376.421 -1.092 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1782010288 IMRBDQGWJKGATF-VEVIJQCQSA-N 377.397 -1.133 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793355711 MJHIYZQMWKWAEL-USRAEIGSSA-N 382.461 -1.240 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)O 1835342454 CQJXJIGGXVUYGM-FZKQIMNGSA-N 394.428 -1.191 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835741228 KPHUBVIGRPJYKK-DYVFJYSZSA-N 381.433 -1.661 30 20 GAED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968410 UULVZVLWXMIZHV-UHFFFAOYSA-N 390.400 -1.240 30 20 GAED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)COC1 1840044763 WCEQVHFOZDXARP-SFHVURJKSA-N 380.397 -1.043 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840178332 CWNACNFRUZEKFJ-IAGOWNOFSA-N 383.401 -1.028 30 20 GAED C=CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 272003641 WSJRFXDPEGKGTD-UHFFFAOYSA-N 380.426 -1.161 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H](NC(C)=O)C2)c1=O 298811970 ZNBRDJZAMNYPTR-CQSZACIVSA-N 391.428 -1.329 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC(=O)NCCC)c1=O 299279807 UBGJCNUGWUHQLU-UHFFFAOYSA-N 379.417 -1.472 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1n1ccnn1 990963641 RHYWHKOVUBNDKS-NDBYEHHHSA-N 387.404 -1.425 30 20 GAED CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)N(C(C)=O)C1 1110859955 QFSMCVLWZQKRBR-DGADGQDISA-N 377.445 -1.017 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 1117363578 LTRGMCDTMJTWNO-OLZOCXBDSA-N 388.446 -1.658 30 20 GAED C[C@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1cccn1 1515158204 JFTXTQXBTVRGLH-CHWSQXEVSA-N 395.441 -1.132 30 20 GAED CC(C)NS(=O)(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1574296855 NCNCZVUEPACKPY-UHFFFAOYSA-N 378.422 -1.107 30 20 GAED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793371741 UBZMQRNFSSDREG-OHTBPHCPSA-N 386.426 -1.655 30 20 GAED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793568390 VFIBGIPPRQKFOE-NXOAAHMSSA-N 381.473 -1.051 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1809827445 WZWNTSYPRVCNQL-ZDUSSCGKSA-N 378.429 -1.102 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839103043 CIHSQSCLNJZLQB-QFBILLFUSA-N 378.473 -1.288 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2)C(=O)O 1840159781 NKZRKFYXLOSDPW-HWWQOWPSSA-N 389.474 -1.176 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1=O 590315192 ZVCDZBSOIGDGLP-GFCCVEGCSA-N 379.417 -1.333 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2cnn(C)c2)C1=O 726042638 KREVNNJZERUOQX-UHFFFAOYSA-N 377.357 -1.102 30 20 GAED N#Cc1nc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)[nH]c1-c1nn[nH]n1 822815263 NRSDWAFABDJOKT-OYBPUVFXSA-N 397.355 -1.048 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 942566504 JZYKLUWXLBGHBN-YIYPIFLZSA-N 379.417 -1.485 30 20 GAED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1061515523 NDKWATDXGQPCGV-LNORHHCFSA-N 375.425 -1.107 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1109925876 HZCWEYJIHCNLOF-AGIUHOORSA-N 375.429 -1.212 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H](C)COC 1347002687 FDLUWODAZGGWFQ-CYBMUJFWSA-N 380.445 -1.015 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)nn1 1588620785 HAQJPAYMISNTER-YPMHNXCESA-N 397.403 -1.196 30 20 GAED CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787528142 KXBHYFZXCMBJER-IHRRRGAJSA-N 379.413 -1.174 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1792484398 GBSWGVGJSANYQM-OXNWAGCZSA-N 392.456 -1.054 30 20 GAED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1801987273 VFCQOEKWVKROIS-BTTYYORXSA-N 397.453 -1.557 30 20 GAED NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664509 HVJJIPIAKVXQDJ-BDAKNGLRSA-N 393.425 -1.264 30 20 GAED NC(=O)CC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664522 HVJJIPIAKVXQDJ-IUCAKERBSA-N 393.425 -1.264 30 20 GAED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835252500 RAJSKVXFKBLHPO-MRXNPFEDSA-N 385.442 -1.209 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837404664 ASGLVCMOEKHQSF-UGSOOPFHSA-N 398.460 -1.316 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839808428 ZUAMTTUVDGYDNZ-PLQHRBFRSA-N 394.453 -1.122 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cncn1 1840044210 PZXBASBCMPZNHS-CXAGYDPISA-N 391.384 -1.617 30 20 GAED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 791329442 FCVAOPUGKCJETE-GXTWGEPZSA-N 380.488 -1.025 30 20 GAED C#CCN=c1nc(N2CC[C@@H](CO)[C@H](O)C2)[nH]c(N2CC[C@H](CO)[C@H](O)C2)n1 811838172 XQLMQLAZDVGGFV-LXTVHRRPSA-N 392.460 -2.302 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 1023764094 PZQXMHDXNRNEGF-ZRJCITRHSA-N 387.396 -1.085 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1109459386 JVZRELIGAUWFQQ-RZFFKMDDSA-N 377.445 -1.902 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)CCC1 1795533735 PQUWTJJROBHXDF-XFMPKHEZSA-N 377.445 -1.137 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)CC1 1831568802 QJDZNTUUWFSUAL-YVEFUNNKSA-N 378.385 -1.145 30 20 GAED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C(N)=O)CC1 349555218 TZCMZSRCDMVCAQ-JTQLQIEISA-N 396.516 -1.415 30 20 GAED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)nc1 550651349 HQJPDIVZSBXCNW-UHFFFAOYSA-N 386.412 -1.105 30 20 GAED COCCN1CC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 561439909 ABKJOBNOGZXKRW-LBPRGKRZSA-N 377.449 -0.909 30 20 GAED N#Cc1cncc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 583901289 WKZBBVNVDBORQL-UONOGXRCSA-N 386.455 -1.271 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H]1CCCO1 809307114 YTPRFFDPNIDIJQ-QWHCGFSZSA-N 375.389 -2.359 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)O)C1=O 833376335 SJFRZOZFJONHDS-XPXLGCRWSA-N 393.352 -1.174 30 20 GAED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1 968411004 NTDHOQPUPMFPHV-NRSFXHEJSA-N 392.500 -1.261 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)nn1 1325985840 BPXOLRQLJCVAQO-UHFFFAOYSA-N 377.449 -1.251 30 20 GAED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588505787 XLGIPOTUTKZUFY-HNNXBMFYSA-N 375.389 -1.175 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1781270913 OYIXUHIFFWFHAR-QGZVFWFLSA-N 382.417 -1.006 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040228 SBMZRNDTEKSOBZ-KDOFPFPSSA-N 378.381 -1.431 30 20 GAED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1840839069 HJEGCNDGGZQIBN-SAYIFAPPSA-N 380.353 -1.438 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 761035606 BFOIQURZDBFRKB-UHFFFAOYSA-N 379.442 -1.191 30 20 GAED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(=O)NCc1cnn[nH]1)C2 1575110441 PTVFWEMSSIGVBB-GFCCVEGCSA-N 392.416 -1.500 30 20 GAED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n(C)n1 1794348671 YREHMMDUDGPGKT-CULMDFNYSA-N 376.369 -1.280 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426530 BNWHJDIYUMEAPN-KDOFPFPSSA-N 381.429 -1.431 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840039875 JUKFGUMSPHVLND-GOSISDBHSA-N 388.380 -1.437 30 20 GAED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1 349494109 NNVWCKBBIMTCCQ-LBPRGKRZSA-N 376.460 -1.158 30 20 GAED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 410421437 MPZDFRIBVRFTSB-NSHDSACASA-N 385.450 -1.715 30 20 GAED COC(CNS(=O)(=O)N(C)CCC#N)CNS(=O)(=O)N(C)CCC#N 542243598 OUCGIHPECOWXET-UHFFFAOYSA-N 396.495 -1.639 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 761036146 DRIJRORGNVWEEH-SNVBAGLBSA-N 399.395 -1.152 30 20 GAED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1 1092898820 VIEQDQDIAATCSA-AGIUHOORSA-N 379.446 -1.064 30 20 GAED C#CCOCCC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573288487 UTHCHOPMVVHFDM-NSHDSACASA-N 375.389 -1.216 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 1588353865 ABODXHLKGNFULO-GFCCVEGCSA-N 386.420 -1.697 30 20 GAED C#CCOCCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588359999 FKBQFJWVYVVBDB-LBPRGKRZSA-N 375.389 -1.216 30 20 GAED C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1)C1CCN(C)CC1 1588457922 JRGZERQROLMLDK-UONOGXRCSA-N 379.413 -1.125 30 20 GAED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282021 PMEKEQQQPJHDFL-IHRRRGAJSA-N 394.476 -1.084 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)CC1 1797801409 ISUBMRGLJXBFSW-FQLMCAECSA-N 378.429 -1.470 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834588945 SUPMZRXMFKJCID-OAHLLOKOSA-N 390.440 -1.075 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761162 RPCSDUZRRSWKDM-RHSMWYFYSA-N 382.417 -1.492 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1023659235 QRARYYCPGSAQDW-SYQHCUMBSA-N 379.413 -1.196 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 1025002892 KNRZPLPTFOWTFD-CFAJVAMVSA-N 380.445 -1.913 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 1025677119 GZHLRUSGEJVXPH-FOUMNBMASA-N 378.389 -2.202 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1193056559 FEYJNFIAWOMQKN-KBUPBQIOSA-N 379.461 -1.175 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)C1=O 1323157746 GDKKNURBAOXVBF-DYZYQPBXSA-N 391.384 -1.058 30 20 GAED C=CCNC(=O)NC(=O)CNCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658511 NZNZCKNUDKYPQT-UHFFFAOYSA-N 375.393 -1.132 30 20 GAED CN1C[C@H](C(=O)O)N(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1=O 1598564924 MOUOBNNTXXQXQN-GFCCVEGCSA-N 380.382 -1.410 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839159544 ZZPYGFCLOQSNLH-HDMKZQKVSA-N 381.429 -1.384 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1840420943 CBLCIZUPYIEYIP-GUYCJALGSA-N 391.384 -1.617 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 509354393 JLQJBGBABPAYSD-UPJWGTAASA-N 380.492 -1.447 30 20 GAED COCCN(C)CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 560940666 TVJSDIVUAWWMGX-UHFFFAOYSA-N 391.476 -1.057 30 20 GAED CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1=O 1109786006 BFJVQWHMPWCRHX-VWYCJHECSA-N 376.373 -2.232 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC(N)=O)C1 1130038259 VDTBWOUALWAPDU-XFMPKHEZSA-N 391.432 -1.204 30 20 GAED C=CCn1cnnc1S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O 1322600510 ICJLPSPSQBYANV-UHFFFAOYSA-N 379.464 -1.365 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 1324405869 ZDGKTNKGYYAEHX-GFCCVEGCSA-N 375.447 -1.543 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588723299 KOPGCRQITHFSOQ-LOWVWBTDSA-N 375.389 -1.007 30 20 GAED N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104511 KOESTMCENFLIGA-FFEBISOMSA-N 396.448 -1.172 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1783562919 SFSZMDRODSUZLB-INIZCTEOSA-N 376.325 -1.581 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838654617 CXTXGNKBNIYZEQ-GOSISDBHSA-N 389.364 -1.055 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041435 MDZNTGUVFWTXPA-SJCJKPOMSA-N 396.400 -2.876 30 20 GAED CNC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349494111 NNWURXTZNMORLV-NSHDSACASA-N 393.491 -1.315 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCCC[C@H]2C(N)=O)c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c1cc(O)ncn1)CCO2 1831736547 HONWOLMCGVDLBI-KRWDZBQOSA-N 390.352 -1.660 30 20 GAED CN(C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)[C@H]1CNC[C@@H]1O 423675200 IDPFZWJWQYEEIL-MBIOBJJBSA-N 383.408 -1.350 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN(C)CCCOC)CC1 893223914 QFMPTEGNBUAEBE-UHFFFAOYSA-N 375.495 -1.251 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2O)O1 1025676968 SFLDHRMESKZANZ-TUVASFSCSA-N 389.412 -1.176 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1CCCC1=O 1110465648 MOHRIYMUSZIZGT-FPCVCCKLSA-N 376.457 -1.169 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1783530725 WTRNCDQSJAPEJJ-PVPAMPSESA-N 392.456 -1.039 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)CCC1 1801977756 VYSGOEBJFGQIIS-GFQSEFKGSA-N 389.412 -1.132 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833170430 GGPOAKKAQBROMF-SFHVURJKSA-N 388.380 -1.437 30 20 GAED N=C(N)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098245 DAPMTYQZCKCFOW-FQEVSTJZSA-N 399.451 -1.022 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)O 1840041894 NUBNPENSVQWGRX-SJCJKPOMSA-N 397.384 -2.407 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840043383 VDIVZXSEFGFCMT-QGZVFWFLSA-N 390.352 -1.660 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1 263706233 LQVNDFATLYDPIG-UHFFFAOYSA-N 386.455 -1.441 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 349455091 HESUVEHRIIBNNT-QJPTWQEYSA-N 378.476 -1.265 30 20 GAED C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 784848019 CNOOIBCEIVWAJG-LLVKDONJSA-N 378.410 -1.117 30 20 GAED COc1nc(Cl)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1C 1347634609 UKIZGGDDAZCTBH-UHFFFAOYSA-N 390.809 -1.208 30 20 GAED Cn1cc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cn1 1356131993 UINMDCZNTNUZSO-DGCLKSJQSA-N 393.425 -1.261 30 20 GAED C#CCNC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575005172 WNPZTUMLNJRMBI-CVEARBPZSA-N 389.460 -1.665 30 20 GAED C#CCNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353621 YWONZKMYXIKYGB-PIGZYNQJSA-N 386.416 -1.501 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1793346609 WSFLMPATFIBNFF-XPCVCDNBSA-N 395.412 -1.843 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831390975 BPPLCZIUPVEUNK-KSSFIOAISA-N 391.428 -1.077 30 20 GAED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839216282 LGBILECZLDJSSK-SCLBCKFNSA-N 393.396 -1.848 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 349461030 JCYLVZINHJCAFK-LBPRGKRZSA-N 378.476 -1.154 30 20 GAED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CC(=O)N1 349502746 OTOGWTWIRZLCKO-LLVKDONJSA-N 377.448 -1.794 30 20 GAED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1065065040 JEWTXWKVNXERBZ-LNORHHCFSA-N 375.425 -1.107 30 20 GAED N#Cc1ncn(CC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)n1 1116306802 JEGSRXJGFNOYPU-AWEZNQCLSA-N 396.473 -1.112 30 20 GAED N#C[C@@]12CN(S(=O)(=O)c3cccnc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1592681220 MEVQCCBVSHGYFF-ZANVPECISA-N 395.426 -1.179 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1829766074 JZIKDLXPNVKQSR-YDHBITPNSA-N 395.460 -2.413 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 468636233 YOCUTJWSOLEVAN-ZDUSSCGKSA-N 394.409 -1.321 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1118216913 MBWAIUCSVPLWIX-CQSZACIVSA-N 390.487 -1.642 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)CC1 1118249769 KGIMKCBDPBZJAN-UHFFFAOYSA-N 377.445 -1.200 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1606884524 GAOJAKGNMGOYTL-HNNXBMFYSA-N 390.462 -1.045 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1783556681 BXDJESNLLQQERZ-MRXNPFEDSA-N 378.341 -2.544 30 20 GAED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1)C(=O)C(=O)O 1786706395 UUVZSBGLSFDDNU-AVGNSLFASA-N 380.401 -1.187 30 20 GAED CN(C[C@H](O)CN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291182244 BZNIODGZVHEDRM-HNNXBMFYSA-N 396.469 -1.012 30 20 GAED Cn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(=O)n(C)c1=O 299084391 ZBANIPAJMNFTHO-UHFFFAOYSA-N 390.425 -1.138 30 20 GAED CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCNc2ncccc2C#N)C1 787789386 AIRURXPSHCVWBS-UHFFFAOYSA-N 380.430 -1.511 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1109849447 SFTQYOJHNWLQRI-KBXIAJHMSA-N 377.445 -1.773 30 20 GAED COCCNC(=O)CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318846475 TXUNWNMQHUFQDX-ISLYRVAYSA-N 393.444 -1.190 30 20 GAED C=CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)CC1 1346152667 MNZODTKDXWUFDG-UHFFFAOYSA-N 375.495 -1.298 30 20 GAED Cn1c(N2CCN(c3ncccc3-c3nn[nH]n3)CC2)c(C#N)c(=O)n(C)c1=O 1606217506 LJRHYRCZSVFKQW-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830401570 VTAICTXUDVTECW-QGZVFWFLSA-N 386.401 -1.737 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839173668 FTECMAMZAGSNPD-KBXCAEBGSA-N 398.460 -1.762 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839808429 ZUAMTTUVDGYDNZ-XTQGRXLLSA-N 394.453 -1.122 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCNC(=O)C2)CC1 26848346 QVEPSOYDUUMIGS-UHFFFAOYSA-N 391.453 -1.177 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 564494076 BLVKHSNVARNOKA-GFCCVEGCSA-N 377.382 -1.401 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCOC)CC2)C1=O 1318268459 LYGIYDMNCKAACC-UHFFFAOYSA-N 380.401 -1.036 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1327424353 DJHCDKNWPBNXDS-UHFFFAOYSA-N 399.473 -1.120 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086345 GHCUNURDHJQCEI-SUMDDJOVSA-N 395.456 -1.495 30 20 GAED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 524282671 DQBQNSXRLUIELP-UHFFFAOYSA-N 392.462 -1.278 30 20 GAED C#CCNS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 761038781 YWLSWLXYVMYORO-UHFFFAOYSA-N 390.491 -2.216 30 20 GAED COC(=O)c1[nH]c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C 799883270 WCYGQLJESLZUDQ-UHFFFAOYSA-N 383.386 -1.180 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)[C@H]1CCCO1 842164156 RSLSYKUDLUCSAT-OWCLPIDISA-N 376.457 -1.046 30 20 GAED Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1193866459 HMSWXOWENHEEBV-IXYNUQLISA-N 390.444 -1.311 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 1261484962 ODILPLIGEAKATI-SFHVURJKSA-N 377.445 -1.370 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 1326127147 LTEOPQNVTTWTQS-SFHVURJKSA-N 380.445 -1.139 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835741227 KPHUBVIGRPJYKK-CXAGYDPISA-N 381.433 -1.661 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC(C(N)=O)=NO1 281983195 VESASJUMUMVDPP-MWLCHTKSSA-N 379.398 -1.029 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 598767446 KDCJTIMOKPUOLQ-QWHCGFSZSA-N 387.439 -1.235 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 892605444 SAEFNWDPWOHNNA-UHFFFAOYSA-N 387.506 -1.108 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 969716795 WIYUSRSQRDCQCS-OXIQGZBJSA-N 380.401 -1.793 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1588351253 LKPPYUSXMNRBKJ-RDBSUJKOSA-N 383.416 -1.580 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1793360674 YAQMYVHRPDGUKS-XLMAVXFVSA-N 399.488 -1.546 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1812877530 KDRDPEKBRJGLMH-XSWJXKHESA-N 386.408 -1.102 30 20 GAED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815691479 KXCQBCUBKSWFLJ-QMMMGPOBSA-N 375.370 -1.170 30 20 GAED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043810 VGPCTRLSZVRPNR-SCLBCKFNSA-N 393.396 -1.848 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCCn2nc3n(c2=O)CCCC3)C1=O 299547098 PYZMTVAXOXLNNH-UHFFFAOYSA-N 390.400 -1.136 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H](C)C1 848959519 KHKDLINNDGGZTM-GFCCVEGCSA-N 376.460 -1.685 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 966916138 QQKMLUXNZZDIEU-MQYQWHSLSA-N 387.458 -1.699 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1110765516 BNVVMPFPDWJWKJ-MXWKQRLJSA-N 381.414 -1.098 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCCC[C@@H]2S(C)(=O)=O)c(=O)n(C)c1=O 1319402423 APHLHHSESAFFAO-JTQLQIEISA-N 392.459 -1.295 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CCC(=O)O)C[C@H]1C 1588879255 XXPDZAPZNFUKKE-GFCCVEGCSA-N 375.447 -1.289 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1783558538 ZMKFGALWRNUWQC-KRWDZBQOSA-N 388.336 -1.294 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795283887 IJRXXWRGIYXFIV-CWRMDDNRSA-N 390.440 -1.287 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564403 MEDSIQJISLTXMA-MQIPJXDCSA-N 388.490 -1.646 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(NS(C)(=O)=O)C1 600324052 BNIZUCAEPUNTEW-JTQLQIEISA-N 386.455 -1.015 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1=O 726042045 CMIPWEJNDOMWMP-WDEREUQCSA-N 394.384 -1.381 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 810344043 CSSCGGOSHLUUSU-UHFFFAOYSA-N 396.444 -1.002 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1OC 946820213 SKMHBCUEEGBIEY-APIJFGDWSA-N 393.444 -1.095 30 20 GAED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1196138272 LZQKRFXJHHLMRW-APIJFGDWSA-N 393.444 -2.043 30 20 GAED COCCN(C(=O)CN(CC#N)S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1261200156 OASMFVHWDHPAAV-GFCCVEGCSA-N 396.491 -1.720 30 20 GAED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O 1588362196 YANWVXPUONINJY-BXUZGUMPSA-N 387.400 -1.074 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799140478 FTEJMRGOZSFWRX-OHQCYIMMSA-N 381.473 -1.128 30 20 GAED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1CCN(C)CC1 1799186498 LTRMNZDJCHPMKO-ZXFNITATSA-N 392.456 -1.700 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)CC1 1835346853 XJYFMOUFVULDRK-FZKQIMNGSA-N 376.413 -1.117 30 20 GAED CCN1CCN(/C(=N\CC(=O)N(C)C)NC[C@@H]2CCS(=O)(=O)C2)CC1=O 262406366 OPYXFQVPZPLCQF-ZDUSSCGKSA-N 387.506 -1.381 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276082093 BBHMHLWFDAMOMA-LLVKDONJSA-N 379.421 -1.651 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](S(N)(=O)=O)C3)CC2)o1 538962382 DKGIWMCWOBIOHC-LBPRGKRZSA-N 382.446 -1.134 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 733149581 LUPNZWCUOGUAAH-UHFFFAOYSA-N 396.473 -2.018 30 20 GAED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326263859 OABFMALDJDLYLF-KSSFIOAISA-N 377.445 -1.372 30 20 GAED N#CCN1CCC(NC(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 1592677481 MWGAZYMILCGYIV-UHFFFAOYSA-N 398.431 -1.106 30 20 GAED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1829866911 REUIYCJHZOQGME-RDTXWAMCSA-N 395.412 -1.555 30 20 GAED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349457446 KBDSHBBCVRJADV-NSHDSACASA-N 399.516 -1.199 30 20 GAED COCCN1CC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 561439908 ABKJOBNOGZXKRW-GFCCVEGCSA-N 377.449 -0.909 30 20 GAED NC(=O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 729345635 VCQVKPVFHAGAOI-UHFFFAOYSA-N 379.442 -1.255 30 20 GAED N#Cc1ccc([C@H](C(N)=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1319638231 VNZMPUXCKNRCAF-BZUAXINKSA-N 378.454 -1.140 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1323085588 XLNYFGGNCRGFQG-CHWSQXEVSA-N 392.503 -2.237 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1323712899 MFISOKQRNPOGHI-NSHDSACASA-N 386.430 -1.802 30 20 GAED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075600 BZTLRBOCRDGSCP-MXAVVETBSA-N 379.413 -1.079 30 20 GAED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(=O)C(=O)O 1800262001 HHTSSSHOXUIFOJ-WDAIWFPHSA-N 381.341 -2.793 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O 268893514 DPEYHHCTAAKTHY-ZDUSSCGKSA-N 391.428 -1.272 30 20 GAED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)no1 409537454 SGSHCMZMZBHLGI-CYBMUJFWSA-N 398.445 -0.992 30 20 GAED Cc1cc(NC[C@@H](O)Cn2ccnn2)c(C#N)c(NC[C@@H](O)Cn2ccnn2)n1 596269943 IDFFDGIIGJCGEO-ZIAGYGMSSA-N 398.431 -0.609 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCC[C@H]1CS(N)(=O)=O)c1cc[nH]n1 772278116 OYCVCFVACVAMOG-JTQLQIEISA-N 387.418 -1.027 30 20 GAED Cn1cnc2c1c(=O)n(CC(=O)NS(=O)(=O)CC1(C#N)CC1)c(=O)n2C 793195547 NSBCTGKZCXRZLB-UHFFFAOYSA-N 380.386 -1.817 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H]3CCOC3)CC2)c1=O 853552688 IOWZNBMXZBIADV-HNNXBMFYSA-N 377.445 -1.092 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1220347322 MDGUCUABPPVTTA-ZOBORPQBSA-N 381.433 -2.057 30 20 GAED C[C@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575371253 RANSVKMTZPXJDS-GXFFZTMASA-N 387.404 -1.346 30 20 GAED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1 1780333257 VKXIAEDKVIULND-UGSOOPFHSA-N 388.428 -1.077 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783566334 UGEUEHQMWRPECS-LRDDRELGSA-N 384.410 -1.519 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)CC1 1784950097 HRCACTLIERBYNJ-AVGNSLFASA-N 389.412 -1.178 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)CC1 1795410372 VMPBMBHCKYKGQH-DDFAGTSDSA-N 398.383 -1.680 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631404 HAUHSMOZLCRZQZ-JAAXMTQOSA-N 380.445 -1.793 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575706 ZLDRAHIRIWWPBG-UGSOOPFHSA-N 397.476 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840040956 HQFSNSRXHMWQRR-SFHVURJKSA-N 390.396 -1.113 30 20 GAED Cn1c(NCCC(=O)N2CCN(c3ncccn3)CC2)c(C#N)c(=O)n(C)c1=O 263782434 IQPALUJMCMIHBL-UHFFFAOYSA-N 398.427 -1.104 30 20 GAED CNS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 561945766 BVYLRGOTEYLSBB-HNNXBMFYSA-N 386.522 -1.239 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc(O)nc(O)c1OC 1111272585 XIHDOKSBDSMKDO-MXWKQRLJSA-N 375.385 -1.019 30 20 GAED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cn(C)cn2)C1 1130610355 KCHMJSBWVOSORA-LBEHMCEESA-N 390.444 -1.252 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 1193875145 FJUFPQAPMKEHIV-GZOSKZMVSA-N 389.456 -1.109 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1196251344 JGLRYXXLJVTKII-RGCMKSIDSA-N 390.444 -1.303 30 20 GAED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)CC(=O)NCc3cnn[nH]3)C2)CC1 1575176314 FQKAFSDOFRHAQC-LBPRGKRZSA-N 388.432 -1.674 30 20 GAED C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354650 UEBKCZAZDLFTRC-QGZVFWFLSA-N 386.416 -1.499 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCC(O)(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588357504 KKYUKJAZZAXNGL-LBPRGKRZSA-N 386.416 -1.118 30 20 GAED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793364888 KIRNSQLUWADUSB-CULMDFNYSA-N 384.410 -1.430 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795531165 FPDZQFHGSFSTHC-HAFSJTIUSA-N 382.461 -1.240 30 20 GAED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831517919 KCOJNMLVCNHNMW-QANKJYHBSA-N 382.413 -1.062 30 20 GAED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1834176197 FPFSZCJRZGXMSP-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839080250 KVWZZTFXNQOCQK-BXWFABGCSA-N 379.457 -1.031 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)N(C)C)CC1)c1cc[nH]n1 770822259 AEWXXGUGJOECQF-UHFFFAOYSA-N 394.432 -1.074 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(=O)OC)C1=O 833375858 IEPZGUROFOSNDA-NXEZZACHSA-N 381.341 -1.172 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1023977485 HCYWGIDBOTYBMS-KKOKHZNYSA-N 378.389 -2.344 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1117634372 RVBMCBKPVADMCE-UHFFFAOYSA-N 383.430 -1.688 30 20 GAED Cn1c(C#N)ccc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1586759105 JOKYXAMGJLHVDW-CYBMUJFWSA-N 393.469 -1.042 30 20 GAED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 1588359445 ONBXLUOZVBHPIB-TZMCWYRMSA-N 387.400 -1.074 30 20 GAED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564895 ONNMGZSIFBSHKX-INIZCTEOSA-N 382.442 -1.612 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774806 PFEGAHMLXNWKBB-SDKSXECNSA-N 375.381 -1.478 30 20 GAED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N1CCN(C)CC1 1800778738 OWFUPTKGCJXJMW-AFIMGQEJSA-N 392.456 -1.700 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831392084 BHJQHFREDFUVIO-DYVFJYSZSA-N 381.433 -2.036 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)CNCP(=O)(O)O)CC2)CC1 1834665456 CDBRTPVQWKXFDA-UHFFFAOYSA-N 386.389 -1.084 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835736269 PPQZLUBXINARMS-BEFAXECRSA-N 392.456 -1.551 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840043606 JLZQCQBUHMFVGJ-INIZCTEOSA-N 377.357 -2.178 30 20 GAED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840043973 GETLYURNZCGOFP-SFHVURJKSA-N 390.396 -1.493 30 20 GAED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349499674 FTHJHFVLPXHCJC-LBPRGKRZSA-N 391.475 -1.404 30 20 GAED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cnc(C#N)n2)c2ccccc2O1 508351366 VTIPEXWWABALRM-ZDUSSCGKSA-N 383.368 -1.194 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 575002551 OQXPYZSEMISRHZ-ZWKOPEQDSA-N 375.428 -1.085 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCC[C@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O 1116853394 HRGRXJYAQZYYFV-JTQLQIEISA-N 392.459 -1.295 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 1318500141 XYEIIGYFZGOVFF-UHFFFAOYSA-N 385.490 -1.814 30 20 GAED C#CCNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353618 YWONZKMYXIKYGB-APPDUMDISA-N 386.416 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1783562627 MYCGZPYOLPNCIR-GOSISDBHSA-N 389.364 -1.073 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1791077642 BUVZWAQPJVXCMQ-SRVKXCTJSA-N 393.425 -1.036 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349513942 YIGZDIXXWMJXKJ-LLVKDONJSA-N 376.464 -1.013 30 20 GAED CC(C)(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349540790 UNPOFICQCLNCRH-NSHDSACASA-N 380.492 -1.004 30 20 GAED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(O)C2=O)O1 854649174 RLKPAKOWSWMUBM-IWDIQUIJSA-N 384.389 -1.473 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1024134501 CTMAOJZCVGMDFK-WFFHOREQSA-N 378.389 -2.344 30 20 GAED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C 1360714600 QSFIUNBKHHFMNT-GHMZBOCLSA-N 385.450 -1.295 30 20 GAED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1791260873 YYSAFCVAZRZWMW-BJDJZHNGSA-N 384.458 -1.164 30 20 GAED NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840341 JWXZXQWBFDGJFB-ITJPFAJOSA-N 377.401 -1.044 30 20 GAED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 275770329 VYXNHNFSKHPXGV-WOVJWYHUSA-N 398.441 -1.093 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 845432241 JZKYFDZSVKBMHR-AWEZNQCLSA-N 391.403 -1.795 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nnc(O)nc1O 1109481540 FMOAELDFVZKACV-USWWRNFRSA-N 375.389 -1.423 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c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c1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cs1 1840041798 ISPSAKCOSNMAPP-MRXNPFEDSA-N 394.409 -1.117 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2c(O)nnc2C1 349493566 MRXIAYLFSMDZBU-UHFFFAOYSA-N 378.436 -1.696 30 20 GAED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 436587682 ZGAJTCWREDHHFU-YPMHNXCESA-N 397.395 -0.513 30 20 GAED N#CCNC(=O)CNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 508942804 QBQDCDLVZKJXQP-CHWSQXEVSA-N 399.407 -1.222 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1=O 520514719 WRRLPRUTZIUOPN-LLVKDONJSA-N 386.430 -1.249 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 749253058 YAGPOPXJQCEDIY-CYBMUJFWSA-N 376.394 -1.026 30 20 GAED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC3(CNC(=O)O3)C2)c1 848955270 SGMJHANUDLLDON-UHFFFAOYSA-N 386.411 -1.029 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1024658781 LKCLAZIYXVDPRO-SYQHCUMBSA-N 379.413 -1.292 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092918227 SIJCTFNDORPFCS-AGIUHOORSA-N 379.446 -1.030 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 1342176658 ZUAZCDXYVXHQAD-UHFFFAOYSA-N 399.473 -1.129 30 20 GAED N#CCNC(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1609496109 MDVXBLNONQZCIJ-UHFFFAOYSA-N 378.370 -1.036 30 20 GAED Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n1 1787053459 CUHSQMLSNQMFDL-AVGNSLFASA-N 376.369 -1.012 30 20 GAED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799286617 UTSXZVMVHVUKNR-APIJFGDWSA-N 379.461 -1.008 30 20 GAED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)C(=O)C(=O)O 1800259092 LNVMVXAECNJSGN-YWVIFJGQSA-N 377.397 -1.468 30 20 GAED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041937 QRQMQAZARGDURV-GOSISDBHSA-N 395.412 -1.697 30 20 GAED CC(C)(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349540789 UNPOFICQCLNCRH-LLVKDONJSA-N 380.492 -1.004 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)CCCOC)CC1 431771564 IUZZRXULHDZUSU-UHFFFAOYSA-N 376.479 -1.611 30 20 GAED CS(=O)(=O)CCOCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 741620294 YFDIAQVGLLXBCE-UHFFFAOYSA-N 389.455 -1.098 30 20 GAED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076716 FSJNIELMYZFZOC-AJNGGQMLSA-N 389.412 -1.018 30 20 GAED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 272793949 BHNQYKWZRSJDKI-UHFFFAOYSA-N 388.490 -1.227 30 20 GAED CN(CC(=O)N[C@H](CO)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 508336893 ASXGVKQZYCXYNN-HNNXBMFYSA-N 396.469 -1.012 30 20 GAED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ncc1C#N 583094850 XHHWPIXUPDEJOU-UHFFFAOYSA-N 383.372 -1.442 30 20 GAED COC(=O)c1cn(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn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c1cccc(C#N)c1)C(=O)N1CC(NS(C)(=O)=O)C1 600325838 MOBRNWHIRMFYAV-JTQLQIEISA-N 386.455 -1.015 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H]1CCCO1 809307112 YTPRFFDPNIDIJQ-CHWSQXEVSA-N 375.389 -2.359 30 20 GAED COCCCNC(=O)[C@@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 916870711 MVLGSIVAABVHRI-NSHDSACASA-N 390.400 -1.315 30 20 GAED CN(C)C(=O)N1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1332108821 LYNRAYKUUVLCRM-BUHFOSPRSA-N 392.416 -1.545 30 20 GAED C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1588965902 OCFFSMMUMMYEQO-VYUIOLGVSA-N 377.390 -1.584 30 20 GAED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1780332950 KZMPZNRCZLBPSE-SCLBCKFNSA-N 388.428 -1.077 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784480239 SRTBDVUTWOVHGZ-VGWMRTNUSA-N 391.472 -1.156 30 20 GAED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834526 ZAJRRINDEICOHY-FVCICTRLSA-N 376.413 -1.069 30 20 GAED CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1835400843 JCCLSNSAPOUHNP-IBGZPJMESA-N 393.488 -1.006 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](NC(N)=O)C1 349461453 JTCFZAGJYVYNHC-MNOVXSKESA-N 381.480 -1.377 30 20 GAED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@@H]1C 349526937 UPWYSZHNWTWHBH-NWDGAFQWSA-N 380.492 -1.006 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCCN(O)C1=O 816754813 MBROFQXPECYYMV-SKDRFNHKSA-N 384.414 -1.051 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCOCC2)CC1 872515287 KZRAHHYOQQAUEJ-UHFFFAOYSA-N 380.492 -1.573 30 20 GAED CNC(=O)[C@@H]1CN(c2ccc(C#N)c(N3CCO[C@H](C(=O)NC)C3)n2)CCO1 1320781074 AQJXAAJRGKETLG-KBPBESRZSA-N 388.428 -1.144 30 20 GAED N#Cc1ccc(NCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nc1 1584464934 IUJPOCLBSYEWLS-ZIAGYGMSSA-N 379.442 -1.021 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577730 CQYQIECNUBNESS-AYDFFVQHSA-N 377.445 -1.546 30 20 GAED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cnn1C 1834428460 HWJCQOAGGBJSDM-GOSISDBHSA-N 390.396 -1.113 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1834758007 FLPMNBVUTMHOSN-MRXNPFEDSA-N 377.357 -1.129 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1834767466 RHBGHIMBDHFKQR-QGZVFWFLSA-N 391.384 -1.069 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)N[C@H](C)COC)c1=O 25522007 CPBKBJJPOKUTEI-LLVKDONJSA-N 381.389 -1.596 30 20 GAED C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349457443 KBDSHBBCVRJADV-LLVKDONJSA-N 399.516 -1.199 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 490883844 CELICVWYFVYOKL-GWCFXTLKSA-N 391.409 -1.012 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCN2CCOCC2)CC1 766051081 SIYXVUMSPKNMMD-UHFFFAOYSA-N 386.518 -1.204 30 20 GAED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)O1 854649175 RLKPAKOWSWMUBM-KKOKHZNYSA-N 384.389 -1.473 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1O 1025711046 BJBUOCOOUXEGET-SYQHCUMBSA-N 379.417 -1.749 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nn1 1118178834 VZGJPAYZZATSKV-QGZVFWFLSA-N 389.416 -1.083 30 20 GAED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1196820221 YKHWPDGAGJZXKU-IXYNUQLISA-N 376.417 -1.911 30 20 GAED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1211937163 WHPUNUPZDMSIFY-LBPRGKRZSA-N 381.480 -1.684 30 20 GAED CC1(C)CN(CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1324576440 JTYFKGPJWAILFL-CCEZHUSRSA-N 393.444 -1.144 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 1346141916 IVOKPYBVEBYAAT-NSHDSACASA-N 376.460 -1.768 30 20 GAED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784956714 PFDUWNGBTUXKIZ-IHRRRGAJSA-N 376.413 -1.069 30 20 GAED NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527599 QSSNXLNEJWJGEN-GRPSYMLLSA-N 384.433 -1.070 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840042043 XJXZEURCOOODQF-KRWDZBQOSA-N 376.369 -1.573 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840159770 NBMFYMHYLDSEQA-MLGOLLRUSA-N 385.490 -1.399 30 20 GAED C/N=C(/NCCS(=O)(=O)NC(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 261843969 WQNXBFZJWARZIQ-UHFFFAOYSA-N 385.494 -1.028 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)N(CCOC)CCOC)CC1 365810241 IZWMNCJVXGVJOX-UHFFFAOYSA-N 390.506 -1.417 30 20 GAED N#CCNC(=O)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 508942805 QBQDCDLVZKJXQP-OLZOCXBDSA-N 399.407 -1.222 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCOCCOC)CC2)C1=O 653000640 NHFHNJQUELXUHB-UHFFFAOYSA-N 382.417 -1.230 30 20 GAED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1330318734 NEWNXFQXCDSXQI-KBPBESRZSA-N 383.474 -1.275 30 20 GAED C#CCNS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1588353892 KUYBYPYXGAOJEO-UHFFFAOYSA-N 393.389 -1.241 30 20 GAED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558836 ZXEHKIIDIJSUSN-BLLLJJGKSA-N 386.426 -1.415 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793342833 VBXSPMPOKMMEHP-HGTKMLMNSA-N 377.445 -1.546 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1834758006 FLPMNBVUTMHOSN-INIZCTEOSA-N 377.357 -1.129 30 20 GAED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040147 QPEFZUDTAUHGMH-UGSOOPFHSA-N 395.412 -1.555 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1840420942 CBLCIZUPYIEYIP-DYVFJYSZSA-N 391.384 -1.617 30 20 GAED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)N2CCO[C@H](C#N)C2)(C(N)=O)C1 805077995 NUCITLKNTAYXDC-SNVBAGLBSA-N 389.434 -1.480 30 20 GAED CCOC(=O)c1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[nH]n1 842529342 WRMQYSCHUMCDAG-UHFFFAOYSA-N 384.374 -1.704 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](OC)C1 944251788 ARXFXEFBBPUMOG-WISYIIOYSA-N 381.389 -1.378 30 20 GAED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1129261744 IQHMDMSMUNAMTP-RQJABVFESA-N 388.432 -1.839 30 20 GAED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1839068389 TWLWUMBWVFWFOS-DNVCBOLYSA-N 393.440 -1.127 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839806744 CRLUBFQZFBZDOW-MRXNPFEDSA-N 377.357 -1.119 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840044486 JPHDLZJMCKIOCW-KRWDZBQOSA-N 376.369 -1.503 30 20 GAED CC/N=C(/O)N1CC[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 329901526 GZYQDBXBAARTPG-NSHDSACASA-N 383.496 -1.594 30 20 GAED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n(C)[nH]1 349469495 AWJHGLZFUOXRJL-UHFFFAOYSA-N 376.464 -1.148 30 20 GAED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 349515994 CGQHOLVWKNKXFV-NWDGAFQWSA-N 380.492 -1.006 30 20 GAED Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CCC1 349540578 JPKMZKXSLNSLBR-UHFFFAOYSA-N 376.464 -1.018 30 20 GAED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 409593217 HFJIFUKPSBPQHM-LBPRGKRZSA-N 396.491 -1.672 30 20 GAED C=CC[C@@H](CC)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1323101011 NSKOVSUQAKONHQ-GFCCVEGCSA-N 378.433 -1.054 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 1325680015 RTEXXPCAVNQCLK-MELADBBJSA-N 380.445 -1.016 30 20 GAED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354950 BFASUIJDWFNLNX-ZYHUDNBSSA-N 375.389 -1.218 30 20 GAED C#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1602682523 PSKPQHJRIWDLQU-UHFFFAOYSA-N 388.423 -1.085 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781779880 GQPBYPOHENUTDP-SNUQEOBHSA-N 377.397 -1.276 30 20 GAED NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783385 ONLXICVVNJLAPT-IVSAIRAKSA-N 378.473 -1.439 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833836885 GTMKTJQTAXQTIW-KRWDZBQOSA-N 390.352 -1.660 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C)n(C)c2C(=O)NCCO)C1=O 683370191 XYUVGJLWZXXWQX-UHFFFAOYSA-N 392.372 -1.634 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1O 964615538 XWSBWIDPQHYLOC-NDBYEHHHSA-N 392.416 -1.954 30 20 GAED N#Cc1cn(CC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c(=O)nc1O 1303052760 MNCBENGONYGKIU-OAHLLOKOSA-N 390.444 -1.267 30 20 GAED Cn1c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C#N)c(=O)n(C)c1=O 1319650595 DPUMYDZKMPJEKW-NWDGAFQWSA-N 383.430 -2.764 30 20 GAED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1325725935 MJQWBAZCONKLSS-SNVBAGLBSA-N 392.459 -1.021 30 20 GAED COC(=O)C[C@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@H]1CC(=O)O 1606447261 WQISRXKJXGYELA-OLZOCXBDSA-N 380.401 -2.372 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789760269 GVOZOYLLNWOODW-UYLCUJDWSA-N 379.457 -1.273 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1791077810 XECITYKGJCXKIT-XUXIUFHCSA-N 398.437 -1.369 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1792632300 PXZLECZZFNNRDT-XGUBFFRZSA-N 380.445 -1.224 30 20 GAED C[C@@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(F)(F)F 1793694259 FVDLOGFAWSFSFJ-XSPYEYLBSA-N 378.303 -1.023 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840040974 JARAUCAFOJAZNE-SFHVURJKSA-N 388.380 -1.437 30 20 GAED C#CCNC(=O)CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735381013 JZSVZQGCBUVXDJ-INIZCTEOSA-N 382.428 -1.240 30 20 GAED N#CCCN(CCN1CCOCC1)C(=O)c1nc(N)nc(N2CCOCC2)n1 1326763759 YKWJVZRKWDLYDG-UHFFFAOYSA-N 390.448 -1.022 30 20 GAED C#CCN1CCC(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[nH]n3)cn2)CC1 1588351618 AYKDXGRETHWRJU-ZDUSSCGKSA-N 385.432 -1.109 30 20 GAED C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588352987 CQHRXCBMHBCALY-LLVKDONJSA-N 386.416 -1.501 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354226 IWKAFGSEUIDLOW-IFUGULHKSA-N 382.384 -1.337 30 20 GAED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1797741041 UEMXBKATMINDMF-QQAVUUHUSA-N 390.448 -1.266 30 20 GAED O=C1NC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)O1 1831209553 WTNLNEXMQCZEOF-KBXCAEBGSA-N 377.397 -1.035 30 20 GAED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)[nH]1 1831862515 ZCOJIRIPRKAKLT-QGZVFWFLSA-N 376.369 -1.124 30 20 GAED CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835356853 QISRPMOZUFXBFO-LJQANCHMSA-N 393.488 -1.006 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1835751878 JWEMRDVZGJUNIV-HNAYVOBHSA-N 393.440 -1.081 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccn1 1840043932 CISHPQNYPJJNOK-KSSFIOAISA-N 390.396 -1.012 30 20 GAED Cn1c(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(=O)n(C)c1=O 11207226 NBFLLXKJWSHYTC-UHFFFAOYSA-N 392.393 -1.023 30 20 GAED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)CC(=O)N1 349600607 MRQTVAKUVOREEW-LLVKDONJSA-N 378.476 -1.108 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)O)CC2)C1=O 736106812 MGYCQMUPRZFASC-UHFFFAOYSA-N 381.341 -1.170 30 20 GAED C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[C@@H]1CCCO1 773561775 RNEIIJKWRAZCJM-GJZGRUSLSA-N 378.429 -1.120 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 968510531 FEOGOPGRNGXTNV-FQLMCAECSA-N 393.444 -1.359 30 20 GAED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCC2(C1)OCCO2 1117317993 LSOONKIYRLXEKO-BUHFOSPRSA-N 378.385 -1.006 30 20 GAED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1194110071 VUBHKQWHFMHASL-WFFHOREQSA-N 381.351 -1.204 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1260309242 ICFUMXXKJRAQFR-UHFFFAOYSA-N 378.389 -2.759 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1783557297 KAFOURWFGAGXIS-MRXNPFEDSA-N 391.340 -1.291 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793342308 CKIHJOQTGAIWQI-XYFZXANASA-N 381.429 -1.323 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831402208 QLQZQWGRXHTYLT-RDTXWAMCSA-N 381.429 -1.253 30 20 GAED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 329147990 BDRUJBTUHBYDBW-LSDHHAIUSA-N 376.461 -1.679 30 20 GAED CCN(CCC#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 409598373 NYHDLIYBFJGZOM-QWHCGFSZSA-N 380.492 -1.446 30 20 GAED C#CCN1CCN(C(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 1320402176 AWVVGPZXBWASRE-CVEARBPZSA-N 384.502 -2.461 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 1324830599 OKLAPIUJBZELJT-OAHLLOKOSA-N 396.407 -1.031 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778161810 OACQEJMVBDNXCO-QGZVFWFLSA-N 379.369 -1.253 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793947608 WDDTZIXWQRJIRO-JIXVBMEVSA-N 378.341 -2.738 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800777324 QAHQGVONLJYRTJ-YFKFIEJBSA-N 377.313 -1.391 30 20 GAED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831614975 AKJPWTDNFRVLDK-YVEFUNNKSA-N 381.385 -1.958 30 20 GAED CCOC(=O)c1c(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c(C#N)cn1CCOC 600007435 QVROANJXIRNOGQ-RYUDHWBXSA-N 394.384 -1.315 30 20 GAED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 839252963 TVCFJBQQDZBHJC-ZIAGYGMSSA-N 386.474 -1.424 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H]3CCOC3)CC2)c1=O 853552689 IOWZNBMXZBIADV-OAHLLOKOSA-N 377.445 -1.092 30 20 GAED N#Cc1ccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 1322215620 HEERUJDFPAESGP-UHFFFAOYSA-N 380.426 -1.047 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 1323084887 JKOUYTFMHGVSGN-CYBMUJFWSA-N 385.490 -1.816 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 1349760782 QILMAJYVQORWRK-UHFFFAOYSA-N 393.469 -1.361 30 20 GAED C#CC1(O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1588333413 PPJPMJIGHJHUJG-SNVBAGLBSA-N 376.398 -1.260 30 20 GAED C#CCNC(=O)CC(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354606 RKIDPOPARJHXBO-UHFFFAOYSA-N 384.400 -1.041 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784485858 RRJKJTLYJKCKHK-ABHRYQDASA-N 376.413 -1.120 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800984943 MQRVBMOACIAZCO-JPYZYGQNSA-N 375.447 -1.041 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831397563 SKEHUJQNUVZEGF-IUVQAAGXSA-N 395.456 -1.796 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833278754 SOJIFETZUDTLQA-GOSISDBHSA-N 389.364 -1.522 30 20 GAED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1836202590 PKELALJGTLRJIR-GOSISDBHSA-N 390.396 -1.264 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)CCN1Cc1ccccc1 410591490 NODYIWWMTKEMBN-HRCADAONSA-N 395.419 -1.046 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)C1=O 500486372 NSMRZVXZIPTYNG-SNVBAGLBSA-N 380.357 -1.757 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1093052778 JOPIVVPJRDJYGA-UPJWGTAASA-N 379.446 -1.030 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257540 ZFIJAVUBRYMJEW-QFBILLFUSA-N 399.488 -1.306 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834209 JHZWPOMBEOZYLI-KEODLESXSA-N 378.341 -2.784 30 20 GAED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800992780 ZYGWHZZLUCOGIE-DRXBFXEBSA-N 399.411 -1.181 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840041255 AIGBJWDCIVVAJM-GOSISDBHSA-N 389.364 -1.055 30 20 GAED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044551 LMIIEVPSEULHNU-FUNAXGEOSA-N 393.396 -1.429 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349481406 ZWKGXPZWJNXDRJ-RYUDHWBXSA-N 378.476 -1.156 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2nn[nH]n2)C1 731880532 PCXMCTWRXCMYSO-SNVBAGLBSA-N 377.386 -1.162 30 20 GAED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 787780443 YRPDAEJXVLLSHH-UHFFFAOYSA-N 399.455 -1.096 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1318936526 WUIPXHHLNCYIMD-CYBMUJFWSA-N 379.442 -1.053 30 20 GAED N#CCCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1319375134 AIRPLDLRAGTFAH-LBPRGKRZSA-N 378.476 -1.849 30 20 GAED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(=O)[nH]c1C 1783557497 MTPYLEFSGXVEII-GOSISDBHSA-N 388.380 -1.082 30 20 GAED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1795418502 APBRFTBUHUOOKK-WDAIWFPHSA-N 386.372 -1.680 30 20 GAED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838622808 MMHBNFGGCDBICB-BBRMVZONSA-N 393.440 -1.204 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921337 RVCWFDKHQYNGAX-GUYCJALGSA-N 399.448 -1.088 30 20 GAED CNC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 517588998 XDOPEIPPNQKXIR-NSHDSACASA-N 395.507 -1.069 30 20 GAED C#CCN1CCN(C(=O)CS(=O)(=O)CC(=O)N2CCN(CC#C)CC2)CC1 847490070 YJNSDKMCEHDZJI-UHFFFAOYSA-N 394.497 -2.044 30 20 GAED CC(C)C#CC(=O)N1CC(n2cc(CNCC(=O)NCc3cnn[nH]3)nn2)C1 1575318626 NQKLJGGYIUADPG-UHFFFAOYSA-N 385.432 -1.155 30 20 GAED C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[n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c3cn[nH]c3)C2)C1 1840041239 ZLSBMKRFJBCIMC-GOSISDBHSA-N 390.396 -1.113 30 20 GAED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 443487435 HFHQGFFJADKUTH-VIFPVBQESA-N 379.354 -1.202 30 20 GAED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1C1CC1 746247173 JYRDMJQBUADHFD-NSHDSACASA-N 380.430 -1.409 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1 761032406 HHFSSJLTUDHTNV-HIFRSBDPSA-N 388.490 -1.225 30 20 GAED CCOC(=O)CON=C(C(=O)NC1CCN(CC(N)=O)CC1)c1cc[nH]n1 770820474 BBTGMLTXRXYYTH-UHFFFAOYSA-N 380.405 -1.241 30 20 GAED C=CCS(=O)(=O)CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 783544829 FNFJBXCMQVUOIC-UHFFFAOYSA-N 383.430 -1.459 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1O 1025711435 SWDNGUQGHVSJTE-LPWJVIDDSA-N 380.401 -1.841 30 20 GAED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329962756 URIRYLBBMYYOTQ-OCCSQVGLSA-N 383.474 -1.417 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nn[nH]n3)n2)CC1 1588354193 SSHUAVJXNWRJKW-UHFFFAOYSA-N 376.402 -1.513 30 20 GAED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)nc1 1602735694 OXICQGZDRJKRPW-LBPRGKRZSA-N 379.384 -1.000 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1791075662 KBSORMDHRADPNB-NHCYSSNCSA-N 390.352 -1.431 30 20 GAED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797697451 JEMFMGGZNBKKNB-MCYUEQNJSA-N 380.401 -1.628 30 20 GAED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800995728 UAMQKCUHQUKGHS-HGKCTWBKSA-N 381.473 -1.334 30 20 GAED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830396728 DABMFDGXQVYJJP-DKFVHQPUSA-N 384.433 -1.775 30 20 GAED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831614969 AKJPWTDNFRVLDK-PXAZEXFGSA-N 381.385 -1.958 30 20 GAED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)COC1 1839778754 OYLFGZBLHRBNKR-GOSISDBHSA-N 380.397 -1.043 30 20 GAED C/N=C(/NCCN1CCCS1(=O)=O)N1CCN(c2cnn(C)c2)C(=O)C1 261611376 ACALPURFKVZZFY-UHFFFAOYSA-N 383.478 -1.320 30 20 GAED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349490802 GSIXOMKZASCPJI-RYUDHWBXSA-N 393.491 -1.363 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3nn[nH]n3)cc2)c(=O)n(C)c1=O 822684715 FTZWOKPKQABVGK-UHFFFAOYSA-N 390.385 -1.424 30 20 GAED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCNC(=O)C2)cc1 919315614 KNZJXPJDMFLOHP-UHFFFAOYSA-N 379.394 -1.025 30 20 GAED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920408869 JQKYMYIWWOCRPV-OLZOCXBDSA-N 377.488 -1.741 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2O)nn1 1023771354 RXNAKBRBMOGZHJ-HKUMRIAESA-N 376.417 -1.320 30 20 GAED CC/N=C(/NCCN1C(=O)CNC1=O)N1CCN(c2cnn(C)c2)C(=O)C1 261859429 YHNUMNXWOWVSBB-UHFFFAOYSA-N 376.421 -1.414 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1cc[nH]n1 276586391 MIXLJVTYTKKZLR-VFDYIDLISA-N 387.418 -1.156 30 20 GAED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C 348375847 GSWZEJXLDRXBEU-MNOVXSKESA-N 379.464 -1.368 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCc2nnnn2CC1 349540457 TYNUIDKDQYMTPB-LLVKDONJSA-N 391.479 -1.527 30 20 GAED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 409535492 LLZJOBGLYZUBHB-UHFFFAOYSA-N 387.462 -1.530 30 20 GAED Cc1nn(CC(=O)NCC#CCNC(=O)Cn2nc(C)n(C)c2=O)c(=O)n1C 654992012 XTNOZBPQOJZASO-UHFFFAOYSA-N 390.404 -2.970 30 20 GAED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1S(C)(=O)=O 1329383013 NDVTVVULLADJMG-GXTWGEPZSA-N 383.474 -1.323 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836490888 OYIFJDABXNMFHX-SUNYJGFJSA-N 384.477 -1.698 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CO)CC1 497440710 NJTOLCORHMWAKN-GFCCVEGCSA-N 380.426 -1.112 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 729533844 TUHJMGOFBJYTCB-UHFFFAOYSA-N 378.454 -1.230 30 20 GAED NC(=O)C1=NO[C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 793900474 AHPKIMGGUJPZAH-SECBINFHSA-N 379.398 -1.138 30 20 GAED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 813981395 ODXKCMPJYYXBDW-HBJVGIJOSA-N 390.377 -1.079 30 20 GAED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CS(=O)(=O)C[C@@H]21 1108483319 BDAMZQAMPHNITC-QMIVOQANSA-N 396.469 -1.497 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1324422879 LHATVESXJVYQPQ-LBPRGKRZSA-N 376.431 -1.524 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[nH]n2)nn1 1588710815 CWWFCQFZZSHUNF-JTQLQIEISA-N 385.392 -1.021 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786725620 JYXCWPCDUQWNMA-KKUMJFAQSA-N 379.413 -1.614 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793358196 VTZGBCWLWRHANC-XLKGFZLASA-N 397.472 -1.182 30 20 GAED CNS(=O)(=O)[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 366719421 MMCPJFKGDNGURN-JTQLQIEISA-N 386.455 -1.125 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2O)nn1 1023771627 XRYYZYPYLVUKBW-GFQSEFKGSA-N 376.417 -1.333 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1O 1023960477 NJFYWMKPPMAUOX-SYQHCUMBSA-N 379.417 -1.749 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1110890677 CVRNBZSERFRXQU-NDBYEHHHSA-N 378.433 -1.257 30 20 GAED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1348120447 VUBUNYAOMPHDQI-UHFFFAOYSA-N 393.444 -1.476 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783155328 JLBAEHWDCMXOOD-DRPUOCJCSA-N 390.440 -1.189 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1834758766 WQXAEZWZXSLYLJ-INIZCTEOSA-N 377.357 -1.129 30 20 GAED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342424 BMWGBSDUZIDQQR-MRXNPFEDSA-N 385.442 -1.209 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1 562182680 VYFCUAFTGPLQFM-GFCCVEGCSA-N 387.439 -1.234 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)O1 1023435925 MLUNZGNAPPKUNR-APIJFGDWSA-N 389.412 -1.176 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)cc1 1602725608 CZKQPYMGRNVMPK-ZDUSSCGKSA-N 379.394 -1.035 30 20 GAED N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075949 HUBGNWHYZJTFAA-AVGNSLFASA-N 377.401 -2.106 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793342304 CKIHJOQTGAIWQI-USRAEIGSSA-N 381.429 -1.323 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(S(C)(=O)=O)C1 349467899 SYDCWGJSXOUGFA-SNVBAGLBSA-N 387.505 -1.391 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)CC1 426469874 JAZWTNVDGMAONZ-UHFFFAOYSA-N 382.450 -2.214 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1193069173 ZIWPSINISVLDMX-FDYHWXHSSA-N 381.433 -1.926 30 20 GAED O=C1NC(=O)C2(CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)N1 1322450454 PSUSFDCQXWEUIQ-UHFFFAOYSA-N 391.409 -1.074 30 20 GAED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1349760345 KMLCSDZIXJHEQH-JKSUJKDBSA-N 398.529 -1.223 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1783566510 WEQLVPSPHPYBKN-KRWDZBQOSA-N 383.401 -2.809 30 20 GAED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040397 XWCGIRHJZFYOSU-OWQGQXMQSA-N 382.413 -1.062 30 20 GAED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 51768514 KFOGPUQSCGWSIN-HNNXBMFYSA-N 386.522 -1.143 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 410142284 KPQHCWQRCRNEKN-UHFFFAOYSA-N 383.496 -2.001 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1111353177 MAOMJTARHYDVLK-UPJWGTAASA-N 375.429 -1.212 30 20 GAED C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2n2ccnn2)C1 1128993690 MGNDRNLFUIPBQO-SYQHCUMBSA-N 388.432 -1.826 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078016 PZHJPWXSWARBFS-PAKFGRKTSA-N 396.396 -1.330 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793343030 GZDPQYWOMHZFRW-BMFAXAFESA-N 392.500 -1.138 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794360139 BEMPLLLQWLUSKS-CULMDFNYSA-N 375.337 -1.623 30 20 GAED CNC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C1 349489401 GRVNOXFGZXQCBB-NEPJUHHUSA-N 395.507 -1.117 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)CC1 728589900 MFSBHZJXABPPMW-UHFFFAOYSA-N 394.453 -1.150 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1O 1023918975 FCOAEGJVYAFHFB-NHIYQJMISA-N 393.444 -1.359 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1323998119 UZTGTBFHXIUVCH-NSHDSACASA-N 381.476 -1.756 30 20 GAED CC1(C#N)CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 1327857004 WDLKHJYMCDVTHD-UHFFFAOYSA-N 383.474 -1.416 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NCc2cnn[nH]2)CCO1 1574986328 ZEYAJJOCRDAJAA-CVEARBPZSA-N 389.460 -1.665 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778789819 GOYMZPJEUZCRBI-CZUORRHYSA-N 383.357 -2.031 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840040909 DYKWCTRWWZNHJD-GOSISDBHSA-N 388.380 -1.437 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1=O 478870533 QEQSFXJYBIDBJB-CQSZACIVSA-N 394.428 -1.087 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCO1 603417577 JEDRIQZUCLNUTI-JKSUJKDBSA-N 387.506 -1.158 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CC2)CC1 894452434 ZOXBSOJHXTVXCZ-UHFFFAOYSA-N 385.490 -1.354 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@@H]1CCCO1 1323586341 ATYYHQSHIYDGKI-GJZGRUSLSA-N 390.440 -1.423 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)CCO1 1326716943 ZILGPFQUXJFCHE-WCQYABFASA-N 386.430 -1.147 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)CC1 1786694874 APGNCRDMDRICFY-AVGNSLFASA-N 389.412 -1.178 30 20 GAED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1790788664 AOCAWQUBZBLCLB-KKUMJFAQSA-N 383.470 -1.670 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1791076198 YZZDSNTWZGRPLT-IHRRRGAJSA-N 377.397 -1.324 30 20 GAED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1815067829 HUGCXEMQHZEICP-DTWKUNHWSA-N 393.425 -1.264 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839866651 HHLLEAGQNSSKTE-SPYBWZPUSA-N 393.440 -1.383 30 20 GAED Cn1cc(N2CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC2)cn1 349510246 PVQCKEBCDSJZLN-UHFFFAOYSA-N 390.491 -1.295 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 517897824 CUTVYDFJCSOJLI-GFCCVEGCSA-N 379.417 -1.320 30 20 GAED C#CCOCCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 755566468 LSYRECPOAFLUKP-CYBMUJFWSA-N 378.472 -1.313 30 20 GAED C#CCNC(=O)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1061515533 NDKWATDXGQPCGV-YQBONMRBSA-N 375.425 -1.107 30 20 GAED C[C@H]1CN2CCN1C[C@H]2C(=O)NCC#CCNC(=O)[C@H]1CN2CCN1C[C@H]2C 1346531735 MZXBUZHDPCKWNG-USTZCAOPSA-N 388.516 -2.001 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)ccn2)CC1 1573285432 IAJZJRWSSJNWME-UHFFFAOYSA-N 376.402 -1.513 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCN(O)C1=O 1589974479 QFAHGYOLIMBNID-KCJUWKMLSA-N 395.401 -1.360 30 20 GAED N#Cc1nc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cnc1-c1nn[nH]n1 1606388845 BDCSQOBREYSVQO-UHFFFAOYSA-N 398.387 -1.964 30 20 GAED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1783582154 IIOPNUXFCMAGBP-XQLPTFJDSA-N 379.413 -1.031 30 20 GAED N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795539100 KIAWWGYXXPVOJL-RMFOBOGVSA-N 396.448 -1.412 30 20 GAED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041503 QHWAIOCWXLNSAT-QANKJYHBSA-N 381.429 -1.096 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846032569 MGNBICKOLZTRRD-PLNGDYQASA-N 394.472 -1.665 30 20 GAED Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)cn1 1352334464 HXKKSGMXPOYZBZ-UKRRQHHQSA-N 385.428 -1.160 30 20 GAED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354588 QTFVGQKJFWGZEK-UHFFFAOYSA-N 386.372 -2.363 30 20 GAED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567447 FFTBCSPMKVGOTH-XJKSGUPXSA-N 387.506 -1.120 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349531962 ALUQMHOOGXNZTM-VXGBXAGGSA-N 381.476 -1.237 30 20 GAED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3cc(F)ccc32)c(=O)n(C)c1=O 771897425 MGTAVLLAAIETEE-UHFFFAOYSA-N 381.345 -1.142 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)N1CCOCC1 1111361902 DDYFUFKTXSSEEB-KFWWJZLASA-N 377.445 -1.013 30 20 GAED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1577874431 UJKCMQYGULBRCY-SNVBAGLBSA-N 390.404 -1.501 30 20 GAED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588500784 DCWVHEKHMRXDHR-WQGACYEGSA-N 375.389 -1.177 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797808080 GGWBTWLHDWOGAK-DJZPMSPPSA-N 381.385 -2.685 30 20 GAED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)cc1 1830385732 RDSKUFVMZDTUDD-IBGZPJMESA-N 389.408 -1.132 30 20 GAED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835248568 QYIKEWKUYXYGOI-QGZVFWFLSA-N 384.385 -1.806 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839159546 ZZPYGFCLOQSNLH-IIDMSEBBSA-N 381.429 -1.384 30 20 GAED Cc1cc(NC[C@H](O)Cn2ccnn2)c(C#N)c(NC[C@H](O)Cn2ccnn2)n1 596269940 IDFFDGIIGJCGEO-KBPBESRZSA-N 398.431 -0.609 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 601418142 JTSLJSJBXOEZQK-OAHLLOKOSA-N 377.445 -1.106 30 20 GAED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCNC(=O)C1 781412207 NBUAKNZMQNQJIC-UHFFFAOYSA-N 379.442 -1.337 30 20 GAED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1119142341 XUFLCMRRPRTFCL-CYBMUJFWSA-N 386.478 -1.866 30 20 GAED C#CCN1CCC[C@H]1c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C 1345059857 OYEJVKHDLVXORJ-AWEZNQCLSA-N 384.448 -1.080 30 20 GAED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C2)nn1 1577715077 IOELPDWIGHLFPY-QLFBSQMISA-N 383.416 -1.203 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O 1588351406 SPGJFSJPRAPSKK-ILXRZTDVSA-N 397.443 -1.272 30 20 GAED Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1835847132 PJCFBUNJYQAKLU-INIZCTEOSA-N 394.409 -1.117 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1839388376 PFXJJFWZMMWDFN-KBXCAEBGSA-N 397.428 -1.081 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1840041256 AIGBJWDCIVVAJM-SFHVURJKSA-N 389.364 -1.055 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)Cc3ccon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c2cnn[nH]2)C1 1575013830 UUORSGWKWQCFGJ-GXTWGEPZSA-N 376.417 -1.091 30 20 GAED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1 1780333256 VKXIAEDKVIULND-SCLBCKFNSA-N 388.428 -1.077 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567479 RHYFAJZRKQKVHI-SJORKVTESA-N 382.369 -1.480 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795531396 SHXNOINRPJYXOC-USRAEIGSSA-N 380.445 -1.793 30 20 GAED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n1 1796599382 HBBHPHAXQLWAGQ-FVCICTRLSA-N 390.396 -1.179 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829833379 XRIJTXDSSKIXJZ-AEFFLSMTSA-N 392.364 -1.143 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264647 YBQDBPXYACCELG-KBXCAEBGSA-N 381.429 -1.383 30 20 GAED COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041601 WXYKVCVTWKPIEZ-KRWDZBQOSA-N 384.385 -1.806 30 20 GAED Nc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840042045 XMQQHNFQIULQMN-INIZCTEOSA-N 394.409 -1.117 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840042262 JPRXYBZIKXDXPP-MRXNPFEDSA-N 378.341 -1.727 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2c(O)nnc2C1 516194885 ZKNMOZYZORUZFJ-UHFFFAOYSA-N 392.463 -1.259 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@]1(O)CCOC1 582735551 JHCMGBWHDPYCTQ-ZDUSSCGKSA-N 375.428 -1.082 30 20 GAED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC(=O)NCC#N 807403338 ZASRHYRXNIFMQN-UHFFFAOYSA-N 393.425 -1.418 30 20 GAED C/N=C(/NCCN1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 849099059 DQCHXVBMMRLUMQ-HNNXBMFYSA-N 391.538 -1.028 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1O 1025711264 LXSRONIEBQAHLQ-JHEVNIALSA-N 378.385 -1.622 30 20 GAED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCNC(=O)C2)C1=O 1095865787 RXBRZRBVZWGTEK-FXUDXRNXSA-N 375.473 -1.073 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1109786922 QWDKWJFVDZHMJO-WOPDTQHZSA-N 375.385 -2.122 30 20 GAED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)n(CCC#N)n1 1118385080 WMBLYKHSIGEJDE-UHFFFAOYSA-N 397.461 -1.006 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)CC1 1162120921 WEAVNZVLUCPSSI-UHFFFAOYSA-N 397.461 -2.441 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCN(S(C)(=O)=O)CC2)c(=O)n(C)c1=O 1319403922 QWGFNNLWOMSSBQ-UHFFFAOYSA-N 393.447 -2.226 30 20 GAED C[C@H]1[C@@H](C)N(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[S@@]1=O 1322693389 JXXCWGHKRIKRNA-BCJKBZBJSA-N 382.442 -1.003 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 1328247271 CKIMWVWHLJUWNT-MRXNPFEDSA-N 376.457 -1.093 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800041 GEQDCYZFRMYUQJ-YXMSTPNBSA-N 394.472 -1.403 30 20 GAED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840044727 UHEJVCFZZVZXDM-QGZVFWFLSA-N 394.380 -1.516 30 20 GAED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)CC2)cc1 459868525 OTZOAGWOZNFTQK-IYBDPMFKSA-N 395.419 -1.067 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 728531111 CCVDSBYXWKFFFY-OAHLLOKOSA-N 384.502 -1.058 30 20 GAED NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 862683136 SDVNTTJVTNLDCS-PWSUYJOCSA-N 380.426 -1.048 30 20 GAED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575005198 XBJBFYFRUDGCNZ-GXTWGEPZSA-N 376.417 -1.091 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795461135 YYERKOHXBRZSML-AIYSSGPMSA-N 378.429 -1.477 30 20 GAED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833440055 LJHGQXIQIYAHHX-UHFFFAOYSA-N 378.429 -1.218 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840043361 TYOWDKKMWWKNQJ-SFHVURJKSA-N 389.364 -1.522 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(c2cnccn2)CC1 349516048 IMJHXZWABLMZDO-UHFFFAOYSA-N 388.475 -1.239 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1 567179791 UZYCWTVVCMLSLL-VIFPVBQESA-N 385.431 -1.121 30 20 GAED NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786884278 DGLDTYUYBPFEHZ-VGWMRTNUSA-N 376.457 -1.028 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)CC1 1795407885 BLGWPCQYBGVCMG-PTEHBNRSSA-N 386.345 -1.395 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831394171 YNGPHRHWQOXSDX-MAUKXSAKSA-N 391.428 -1.227 30 20 GAED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840042903 VGAXSFCGWNQRTJ-GOSISDBHSA-N 388.380 -1.057 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(N)=O)C(=O)C1 458045785 KYQDDDDNAUZUBW-NSHDSACASA-N 393.425 -1.619 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1110567867 ITHFEULBYCASCJ-LOWDOPEQSA-N 376.421 -1.205 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285821 OFNHRSWJHBLZSN-OCCSQVGLSA-N 386.416 -1.501 30 20 GAED C#CCN(C(=O)CNS(=O)(=O)NC)C1CCN(CCc2cnn[nH]2)CC1 1574895620 WLRORGKJRQCEGM-UHFFFAOYSA-N 383.478 -1.673 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)O)CC[C@H]2C(=O)OC)C1=O 1602894447 CSOUVBCYHAGCSB-UWVGGRQHSA-N 381.341 -1.172 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800259110 LVZCBHXTIPNDGG-XPCVCDNBSA-N 395.412 -1.843 30 20 GAED N=C1NCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835640051 ICRGLWBTQOHELT-KRWDZBQOSA-N 393.400 -2.629 30 20 GAED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844333591 QUMAQVWIIINUPD-LBPRGKRZSA-N 385.380 -1.114 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 409595429 PUULVONAFBRIJD-VXGBXAGGSA-N 380.492 -1.052 30 20 GAED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 597640734 LXNVYYBDEGRJQN-ZDUSSCGKSA-N 375.385 -0.728 30 20 GAED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 610358256 WDSRVSPWTCVCTO-UHFFFAOYSA-N 385.405 -1.113 30 20 GAED NC(=O)CN(CC(N)=O)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733257776 YINVUWPXWWMZBC-UHFFFAOYSA-N 381.414 -1.696 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 749253659 USYDEIHLOVHLPE-CYBMUJFWSA-N 376.394 -1.026 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1220389853 YMXGCKPEHJUPOV-YJNKXOJESA-N 390.444 -1.303 30 20 GAED C[C@H](C#N)C(=O)NCCCN1CCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575175557 BKHIWGXZPJOGPF-CYBMUJFWSA-N 390.448 -1.379 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103902 DMBSAEYNVGXWKB-BYHCKVSSSA-N 383.449 -1.369 30 20 GAED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)C(O)O 1783866540 UZEPDQMFNNVDHP-SOMZGVGESA-N 385.417 -1.194 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793941925 PDNWDISWWMLEFQ-DGMCESFYSA-N 392.412 -1.788 30 20 GAED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1801988719 JPURUGPQDOEWNU-JGPRNRPPSA-N 384.352 -1.243 30 20 GAED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039646 BQRLIKQPJRSECU-PXAZEXFGSA-N 381.385 -1.958 30 20 GAED C#CCN(C)CCCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 296730508 CUGCWGZZCPEJIO-UHFFFAOYSA-N 379.461 -1.346 30 20 GAED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 330454974 NUTGABCBUBGROM-OAHLLOKOSA-N 379.461 -1.002 30 20 GAED CNC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 529735973 YRHOQAUCWQCQAJ-CYBMUJFWSA-N 395.441 -1.007 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)c1 737494206 VVIZUNUIHNBAEY-UHFFFAOYSA-N 379.394 -1.033 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CCCN(O)C1=O 816754811 MBROFQXPECYYMV-CABZTGNLSA-N 384.414 -1.051 30 20 GAED CN1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)CC1 1219649573 FPFUAKMSPIIHFY-CBZIJGRNSA-N 393.488 -1.466 30 20 GAED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(N)=O 1318531917 RPZSWTLWCKTEJE-UHFFFAOYSA-N 386.437 -1.583 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 1322595422 AOUFQELMVFXPGE-UHFFFAOYSA-N 379.442 -1.128 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1323085593 XLNYFGGNCRGFQG-QWHCGFSZSA-N 392.503 -2.237 30 20 GAED CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 1327503432 QTUQFXXTFNOBFC-UHFFFAOYSA-N 387.444 -1.286 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCOCc2cnn[n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c1ccc2c(c1)nnn2O 862909502 MXGBLMJXHMAZTD-VIFPVBQESA-N 381.370 -1.372 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1O 1025711265 LXXQFBZFYXJBMI-KKOKHZNYSA-N 378.389 -2.344 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1110615485 UKXOKIJDLMLPIV-FPCVCCKLSA-N 376.457 -1.048 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)O1 1111019726 LRWBJIYWPPNKFP-QMIVOQANSA-N 377.445 -1.017 30 20 GAED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1321663388 VHUJCWQJKCEROZ-AWEZNQCLSA-N 377.401 -1.429 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840175999 QSVIVXWDNMMBLC-GOSISDBHSA-N 377.397 -1.056 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(CCC(=O)N(C)CCC#N)CC2)CC1 535664698 BUSUXYOGYDTCAY-UHFFFAOYSA-N 386.522 -1.142 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 598024992 CFXLPHGBMKHVNZ-OLZOCXBDSA-N 387.439 -1.235 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1575005062 TVSRFNGVNJIJSG-CABCVRRESA-N 397.395 -1.692 30 20 GAED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1)C(=O)C(=O)O 1793261814 CXTDOVXPJPDBNL-YWVIFJGQSA-N 377.397 -1.468 30 20 GAED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795728596 PQSUBZXRTQQIIA-QHBPRCKVSA-N 385.384 -1.075 30 20 GAED N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811926 UPWBRQMLTPLKNY-XEQVHGKFSA-N 396.448 -1.412 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1839704785 FWGYTXRNRVBLHA-SFHVURJKSA-N 395.412 -1.601 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319007 LZLNGBQTRNAHOS-RDTXWAMCSA-N 397.428 -1.163 30 20 GAED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)CNC1=O 733270778 LKOJJYJLPULECI-UHFFFAOYSA-N 379.398 -1.217 30 20 GAED C=CCn1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nn1 1345780880 ILHIEDJEAPKOAC-ZDUSSCGKSA-N 397.457 -1.048 30 20 GAED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795084893 ZDSOFOZEBYWMEG-IARIHHJXSA-N 388.428 -1.040 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831394071 VOQZFODMHHILQM-QAPCUYQASA-N 391.428 -1.227 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1834756101 QMJUVUPCZGZNAQ-SFHVURJKSA-N 390.396 -1.328 30 20 GAED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835619627 HQJNJRXEDAUNHO-SFHVURJKSA-N 381.429 -1.081 30 20 GAED CN(C)CCn1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 446519821 BGKRBWYARBTNHT-UHFFFAOYSA-N 391.476 -0.542 30 20 GAED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2=O)cc1 599943212 JRKJQJTZVKWIEY-HOTGVXAUSA-N 385.424 -1.120 30 20 GAED N#Cc1nccc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 1054788431 XTGXKAOVVCITKD-NOOOWODRSA-N 390.425 -1.716 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108481688 BMNWBWQYNYXJPL-LXTVHRRPSA-N 383.470 -1.387 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1120386874 HQNWRXRRHKFOAY-NEPJUHHUSA-N 392.441 -1.311 30 20 GAED N#Cc1ccc(NCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nc1 1584464930 IUJPOCLBSYEWLS-KGLIPLIRSA-N 379.442 -1.021 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1800776004 PYXVTHWDBQBYMP-ZSBFGKGUSA-N 379.413 -1.614 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)N1CCN(C)CC1 1834765312 DCTBNWHSKAGXHM-LPHOPBHVSA-N 393.488 -1.008 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359802 IYJUHSJAYVJHIZ-MAUKXSAKSA-N 396.444 -1.102 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1CCCO1 809012032 PZJYMOHEDKQTFN-CHWSQXEVSA-N 384.414 -1.493 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1O 964615441 RWHUISQEJKUXTL-KBXIAJHMSA-N 393.444 -1.359 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1O 1023939971 VOXHZWJYVNBAEH-YFCNSXCBSA-N 380.401 -1.793 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1261177883 DKFFKQIMQSDIGB-NWDGAFQWSA-N 375.447 -1.545 30 20 GAED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1324820832 ABQFKHITALFBGM-UONOGXRCSA-N 389.474 -1.138 30 20 GAED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(-c2cnn[nH]2)cn1 1577027458 CCTRBZZMWZKQQK-HUUCEWRRSA-N 384.400 -1.065 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797680991 HQEQRCBTXBBIBP-JJLQDPRZSA-N 390.444 -1.266 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358025 NTAVLPADOHHPIB-ACJLOTCBSA-N 394.428 -1.090 30 20 GAED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039677 CWTGYFXPOHIZJO-KSSFIOAISA-N 379.413 -1.375 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C1=O 297938146 SSZACXFGXUTKGU-AWEZNQCLSA-N 388.428 -1.159 30 20 GAED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 349516402 CVINKYHOIZVORK-UHFFFAOYSA-N 377.452 -1.593 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)CC1 474787483 JYGFOAGBAVLKLH-UHFFFAOYSA-N 381.462 -1.458 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CCO1 1321748006 QDIZYDSOXWRIMY-CQSZACIVSA-N 380.426 -1.027 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1795597745 YRRDVTVGBWYRRE-CRWXNKLISA-N 393.444 -1.034 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C(O)O)CCO2)C1 1830392645 NDYQSSLXZJHJOY-QGZVFWFLSA-N 384.433 -1.965 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225732 VPHHDLPSWRMEQE-RDTXWAMCSA-N 391.428 -1.077 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1834760680 GWIMAIPMHFHHKR-MRXNPFEDSA-N 377.405 -1.310 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761329 XKOSRPRHSBTPBV-XJKSGUPXSA-N 384.389 -1.579 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1835353944 HQPLWSIXCAZHKG-SUMWQHHRSA-N 381.433 -1.661 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840041607 XFPFLKNXYGTLKX-GOSISDBHSA-N 389.364 -1.055 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1840041858 LCNJOZWMTHLXDG-OAHLLOKOSA-N 378.345 -2.783 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 374447479 UDYSBFNQPZNRNB-AWEZNQCLSA-N 394.519 -1.102 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(N)=O)C(=O)C1 458055205 VJJYDUOJABVOFT-LLVKDONJSA-N 393.425 -1.619 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1O 970711532 HEXXOPOASVDBGX-AAXDQBDMSA-N 378.389 -2.344 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C 1602722150 CWIMKRDAFARATB-MFKMUULPSA-N 384.400 -1.089 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1782013797 KWTCCBVIZCRPFD-UYAYXHRUSA-N 379.413 -1.689 30 20 GAED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073319 ZMYHIYCYTCIBSS-AJNGGQMLSA-N 379.413 -1.031 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293330 CWUZARZEXPXMPH-VGOKWCNXSA-N 392.456 -1.301 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 771160425 VTEOPWFJPHTKPP-UHFFFAOYSA-N 393.469 -1.161 30 20 GAED CCNC(=O)CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787788477 ZEDKJWWLUDJNAP-UHFFFAOYSA-N 387.444 -1.238 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)NCCNc2ncccc2C#N)n(C)c1=O 917155610 PRSQZCBIPBROCI-UHFFFAOYSA-N 382.384 -1.071 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1O 1023942633 HNYHRIWBOVGTKV-ASEORRQLSA-N 392.412 -1.231 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O 1326568993 ZHNMLFKOHHHYHT-GFCCVEGCSA-N 398.441 -1.706 30 20 GAED C=CCn1cc(C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)nn1 1588710844 FASOMZCKWUPVGD-UHFFFAOYSA-N 385.392 -1.019 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588723273 JVBGRWFIYGVFHR-WZRBSPASSA-N 375.389 -1.007 30 20 GAED N#CCSCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592679489 RUEDQAXHGLOGBW-MNOVXSKESA-N 376.402 -1.247 30 20 GAED N#C[C@]12CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cn3)C[C@H]1CS(=O)(=O)C2 1606354923 XWDFHAGSLBCUFC-GXFFZTMASA-N 395.426 -1.179 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778960959 HYHVFJGYGAGGJV-YVEFUNNKSA-N 380.401 -1.388 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839808169 UDJIAQLFFALTAP-MRXNPFEDSA-N 387.356 -2.484 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839809998 YBMXHTRMQBXSMI-LPHOPBHVSA-N 378.473 -1.288 30 20 GAED C/N=C(/NCCN1CCCS1(=O)=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262598486 XUPBZZSUJRFUIZ-AWEZNQCLSA-N 387.506 -1.080 30 20 GAED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 264707938 VNRGQEFUEZLVEQ-UHFFFAOYSA-N 386.455 -1.179 30 20 GAED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1 349496628 PRTDQBMRKYZBTE-GFCCVEGCSA-N 380.492 -1.052 30 20 GAED CC(C)NS(=O)(=O)CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 598983326 FYMHRDPBLFPIHZ-UHFFFAOYSA-N 384.418 -1.285 30 20 GAED CN1CCN(C(=O)CCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 787607837 FAUHBRPNUXMULW-UHFFFAOYSA-N 387.444 -1.238 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326398851 ZGOZPBYDPWWORD-OAHLLOKOSA-N 387.462 -2.443 30 20 GAED Cn1c(N2CCN(c3cccc(C#N)n3)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553205 FONPYDSRLHMKBM-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1831397232 PSWIQYIPVUZSBW-IIDMSEBBSA-N 381.429 -1.384 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c1 1835575055 WKZVOUYEPSDKKH-KRWDZBQOSA-N 389.416 -1.561 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575729 UKVZJLFVDNJHNU-CXAGYDPISA-N 398.464 -1.273 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)NC(C)C)C1=O 277661278 VIOSXUXVXHRNCZ-UHFFFAOYSA-N 375.407 -2.088 30 20 GAED CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n[nH]1 348342124 JEGKEZOFAKWKIC-UHFFFAOYSA-N 392.463 -1.211 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 563431288 YGNRDHIECOGAJP-LLVKDONJSA-N 393.491 -1.363 30 20 GAED CCOC(=O)CON=C(C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)c1cc[nH]n1 855472654 DMKDURRTEOLPCD-QWRGUYRKSA-N 388.402 -1.378 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1110629158 HUJZDOOWFBLHCB-TUVASFSCSA-N 382.486 -1.119 30 20 GAED C[C@@H](C#N)C(=O)N1C[C@@H](NCC(=O)NCc2cnn[nH]2)[C@H](c2cnn(C)c2)C1 1575176686 HANABUYJSKAIFW-TUKIKUTGSA-N 385.432 -1.102 30 20 GAED NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787426195 XHAQHAREQJAHLJ-SFAFVFCJSA-N 397.476 -1.219 30 20 GAED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788726884 LKJDGJKLMGHLPK-AJNGGQMLSA-N 389.412 -1.018 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795410994 FWXJMSZJAKFNBN-RNJOBUHISA-N 380.401 -1.056 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840043913 BCICOLVLEREUQU-SFHVURJKSA-N 390.396 -1.113 30 20 GAED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 584802857 PBCALPYMLDRASP-STQMWFEESA-N 395.507 -1.294 30 20 GAED C=Cn1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cn1 772316759 SXZKADATZCTPII-UHFFFAOYSA-N 390.450 -1.217 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCS(=O)(=O)N3)CC2)o1 845369792 PUKLLJURAVNSJT-LLVKDONJSA-N 397.413 -1.262 30 20 GAED C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 918816965 DOUWOCGCBAVYHU-LLVKDONJSA-N 396.425 -1.027 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)nn1 1118116253 QYIBJEVRGNXNFR-LBPRGKRZSA-N 384.462 -1.132 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1352343701 DLWVKPRPFBZMSS-CYBMUJFWSA-N 387.458 -1.401 30 20 GAED C=CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@@H](C)OCc3cnn[nH]3)CO2)C1 1575103526 FNWLYSBXIDVCCN-OLZOCXBDSA-N 378.433 -1.029 30 20 GAED Cn1c(C#N)ccc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)n1C 1592546236 MLQGNWGYUBRBKI-JTQLQIEISA-N 397.399 -1.064 30 20 GAED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)n1ccnn1 1790643604 PLAMXMVQESISFS-XUXIUFHCSA-N 375.385 -1.093 30 20 GAED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1802018011 XRFOPKHULHXLFR-JLVBRIDZSA-N 397.497 -1.280 30 20 GAED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835569381 QOLNKNQXABPOCD-INIZCTEOSA-N 385.490 -1.155 30 20 GAED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840042047 XPNLLXMEOJVMOG-GOSISDBHSA-N 390.396 -1.493 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cnnn1 1840043984 GVIOIMYXKJRRCR-BLLLJJGKSA-N 392.372 -2.222 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1840841755 ULPXFDAGVFMVCV-KSSFIOAISA-N 380.445 -1.551 30 20 GAED CCC(CC)(NC(=O)C1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1)C(N)=O 519125864 DZTJTCJCZHBKPO-UHFFFAOYSA-N 376.417 -1.448 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 728531999 WLYJCIQZVYNLGA-UHFFFAOYSA-N 393.469 -1.356 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1800777375 RJKVJEQSPIZKDV-HBKVCCEDSA-N 375.381 -1.501 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800984942 MQRVBMOACIAZCO-HMUNZLOLSA-N 375.447 -1.041 30 20 GAED NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527600 QSSNXLNEJWJGEN-VAGOZBQTSA-N 384.433 -1.070 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837730338 WJGSBPSOUMSXHP-MAUKXSAKSA-N 396.444 -1.102 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839809913 SPWGFJVBBUDUBR-IBGZPJMESA-N 390.484 -1.144 30 20 GAED C=CCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 298663667 XEHRLPARPBDLDP-UHFFFAOYSA-N 387.506 -1.343 30 20 GAED COC(=O)CNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600606548 UVYZXQWIPWSGRQ-UHFFFAOYSA-N 380.357 -1.487 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 736167875 UNTBPEFNCXCTNW-CVEARBPZSA-N 396.513 -1.469 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1322638388 QOWQMFMRAXUSKU-QWRGUYRKSA-N 387.414 -1.423 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233710 NYYDTYNFSHBAMS-FZKQIMNGSA-N 393.396 -1.943 30 20 GAED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846195516 ZHGDDDQYQXCDHT-UHFFFAOYSA-N 392.393 -1.257 30 20 GAED C[C@H](CS(C)(=O)=O)/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 330754129 FAIOZIGFZUBXEI-CYBMUJFWSA-N 376.479 -1.190 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](NC(N)=O)C1 349461456 JTCFZAGJYVYNHC-WDEREUQCSA-N 381.480 -1.377 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 748814248 XFJDLYRLLAPNJW-UHFFFAOYSA-N 375.473 -1.470 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H]1CCCO1 809307115 YTPRFFDPNIDIJQ-STQMWFEESA-N 375.389 -2.359 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCC=C 1110461622 AQBOFHZIYGRPTJ-MCIONIFRSA-N 375.429 -1.141 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCn1c(O)nnc1O 1110747434 QFFXRWHJVGCAEO-UTUOFQBUSA-N 377.405 -1.169 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1327776306 JZDJQJZCTICSKN-CQSZACIVSA-N 375.426 -1.856 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3C(=O)CNC3=O)CC2)c1 1346339317 PZRJZOFTSWMZMZ-UHFFFAOYSA-N 385.384 -1.730 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1783557099 HCWMBCVGMWBYGE-QFYYESIMSA-N 378.341 -2.498 30 20 GAED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1783685352 PJPVIZGMXKCRAF-JYJNAYRXSA-N 396.488 -1.198 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837356033 MKAOZZDUQGYOQF-KRWDZBQOSA-N 377.401 -1.132 30 20 GAED C#CCNC(=O)COC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 7087683 NQKPBCQLUOQMSL-UHFFFAOYSA-N 381.410 -1.041 30 20 GAED CNC(=O)CN1CCC(/N=C(/O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 330377177 ILDYFSPPOIJNOR-UHFFFAOYSA-N 396.492 -1.220 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)C1=O 500486361 NSMRZVXZIPTYNG-JTQLQIEISA-N 380.357 -1.757 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nnnn2C)cc1 594628722 DJBVOQGLGIZILE-JTQLQIEISA-N 399.458 -1.079 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)C1=O 726042767 MCSBCWRKZFYOFL-GFCCVEGCSA-N 394.384 -1.367 30 20 GAED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1110152659 AGWZSJGACPZPQO-NMKXLXIOSA-N 375.433 -1.211 30 20 GAED C#CCN(C(=O)Cc1nc[nH]n1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574928127 HRYHKWYXSYFRGZ-UHFFFAOYSA-N 385.432 -1.292 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781267866 ZYFAKHIRLCPBID-QGZVFWFLSA-N 381.433 -1.191 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 349511757 QQHWYMZLCLPLIX-OUCADQQQSA-N 395.503 -1.397 30 20 GAED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 732216621 XAQFGKHKXBCDKS-LBPRGKRZSA-N 399.516 -1.246 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1110040562 VACRCMNBGSTTCH-XJIUQZFPSA-N 382.486 -1.071 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@H]1CCCO1 1117580096 AXUOYFOJIPYZJO-UONOGXRCSA-N 380.426 -1.227 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1323766270 PJPKLVDICHAFCT-ZDUSSCGKSA-N 387.458 -1.447 30 20 GAED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329455477 SUNKNSMHXDJESR-KBPBESRZSA-N 383.474 -1.275 30 20 GAED C#CCN(C(=O)c1cn(C)nn1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574928377 LAIHCFUQKNRUDO-UHFFFAOYSA-N 385.432 -1.211 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349523484 OIFBTOQYXJGYBB-NWDGAFQWSA-N 378.476 -1.156 30 20 GAED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOC 914564982 OQIZFFGMKRBSJL-UHFFFAOYSA-N 391.453 -1.445 30 20 GAED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)n1 1328228390 MXWTYZRUXRAHFS-KGLIPLIRSA-N 382.442 -1.207 30 20 GAED C#CCO[C@H](C)C(=O)N1CCC(NC(=O)CC(=O)NCc2cnn[nH]2)CC1 1575012665 FTBRTDHSPKXCLV-GFCCVEGCSA-N 376.417 -1.044 30 20 GAED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588331631 UVTBVOXISSYOPZ-CQSZACIVSA-N 396.411 -1.229 30 20 GAED N#CCn1cc(NC(=O)C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)cn1 1601079165 QBWCWAMTAJEJLT-MRXNPFEDSA-N 376.373 -1.267 30 20 GAED C#CCN1CCC(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[nH]n3)n2)CC1 1602717876 FXLMBTFCUKIMBJ-ZDUSSCGKSA-N 385.432 -1.109 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831396321 JJZCORSIHQWARB-ACJLOTCBSA-N 392.412 -1.643 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCO2 1835768515 ANAUSQZSQFUVHU-KBXCAEBGSA-N 381.429 -1.081 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838376253 AFOZVNWUFFPNHQ-QGZVFWFLSA-N 390.352 -1.660 30 20 GAED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 441991474 MEKCFIJTMHAZCT-LLVKDONJSA-N 387.400 -1.383 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 595988055 NQUAXLCJUXTBJE-CVEARBPZSA-N 396.451 -1.023 30 20 GAED C#CCN=c1nc(N2C[C@H](C)O[C@H](CO)C2)[nH]c(N2C[C@@H](CO)O[C@H](C)C2)n1 804646016 KMIHVXVTVNYYET-XGUBFFRZSA-N 392.460 -1.489 30 20 GAED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1129261787 KBJLVLGHHHLOGK-ZOBORPQBSA-N 391.432 -2.045 30 20 GAED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cncn1C 1131070094 FOKVFPZPHLONEH-TXCZRRACSA-N 389.456 -1.013 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)CC1 1258165282 LYEQCPWJJRCWHU-UHFFFAOYSA-N 384.458 -1.829 30 20 GAED C#CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1329184759 ZUSFTRJIZUMHRI-UHFFFAOYSA-N 391.515 -1.021 30 20 GAED C=CCN1CC[C@H](N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O 1588654579 KFLWBEAPAPATPC-ZDUSSCGKSA-N 386.416 -1.242 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832475914 FKEYJPVPWPRWOJ-QGZVFWFLSA-N 393.400 -1.702 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1835519310 UFSFYENBUSGXGA-WIXIHDJSSA-N 394.472 -1.104 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840039741 GMTQYQFLMHSPOV-ZBEGNZNMSA-N 381.341 -2.361 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 728572215 ZEDILPPNECCNIB-UHFFFAOYSA-N 385.472 -1.508 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1220357133 BYHPDBPUFYITBN-YJNKXOJESA-N 379.461 -1.366 30 20 GAED C[C@@H](C(=O)NCC#CCNC(=O)[C@@H](C)N1C(=O)CCC1=O)N1C(=O)CCC1=O 1321362005 VKEIGRXDEWEPMY-TXEJJXNPSA-N 390.396 -1.703 30 20 GAED COCCOCCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1331995530 HOAPCZKMTPFYMS-QGZVFWFLSA-N 393.488 -1.008 30 20 GAED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1588505658 UJWXKRCLRVEQHJ-WQGACYEGSA-N 375.389 -1.177 30 20 GAED O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN1 1831221634 VCYRKLOHRJUXTJ-KXBFYZLASA-N 375.425 -1.008 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)CCC1 1839081235 YNOOPGWHDIFJHW-YZVOILCLSA-N 392.456 -1.141 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1=O 297856395 NIWDJWKFMSOEAS-OAHLLOKOSA-N 391.472 -1.346 30 20 GAED COCCCS(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409498694 HWQRGMGXYVJPNO-ZDUSSCGKSA-N 396.491 -1.561 30 20 GAED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 524281001 AJJMKMGSTIRSLO-UHFFFAOYSA-N 392.462 -1.278 30 20 GAED CCN1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC)[C@H](C#N)C1 602358235 SCYDWUHCSDLFBB-BRWVUGGUSA-N 393.488 -1.009 30 20 GAED Cn1cc(/C=C\C(=O)NS(=O)(=O)c2cncc(C#N)c2)c(=O)n(C)c1=O 813980458 AZVLBFCRXLXPRK-ARJAWSKDSA-N 375.366 -1.131 30 20 GAED O=C1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)CCN1 816756830 GATDUUQGMPDCMD-ZDUSSCGKSA-N 396.425 -1.083 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1O 964615102 GDNRIYMAENYTID-ZZVYKPCYSA-N 392.412 -1.231 30 20 GAED C#CCN(C(=O)CNC(=O)CC)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574894589 CRZWILTYQZQJPE-UHFFFAOYSA-N 389.460 -1.127 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)C1=O 1602722820 SDMBMADMHROFGU-SNVBAGLBSA-N 380.357 -1.455 30 20 GAED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(=O)C(=O)O 1791077557 IHDVLNYSJMWINM-SRVKXCTJSA-N 395.368 -2.403 30 20 GAED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840041119 RLVIXCKYLKLAOA-GOSISDBHSA-N 388.380 -1.057 30 20 GAED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1840167196 CFKZOAALEVMAJN-HNAYVOBHSA-N 394.472 -1.161 30 20 GAED CC(=O)N1CCN(C(=O)CCN/C(O)=N/CCC(=O)N2CCN(C)CC2)CC1 329334743 XMQCHDRDMOHJLH-UHFFFAOYSA-N 396.492 -1.265 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1024443221 KNBCBPPUEKEEBO-JLNYLFASSA-N 379.417 -1.749 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1O 1083470770 MQKHTBUHAGOFPH-KBXIAJHMSA-N 380.445 -1.913 30 20 GAED N#Cc1ncn(CC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)n1 1116306806 JEGSRXJGFNOYPU-CQSZACIVSA-N 396.473 -1.112 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1783558546 ZMKFGALWRNUWQC-QGZVFWFLSA-N 388.336 -1.294 30 20 GAED C#CCNC(=O)C1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 747822844 HCLBTRCAMMUAFF-NSHDSACASA-N 375.429 -1.301 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@@H]1O 970702443 RLFVKLBYQRRDAW-XEZLXBQYSA-N 388.384 -1.690 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCN(CC#N)[C@H]3CS(=O)(=O)C[C@H]32)O1 1094659686 KUUQSLWQDHKZDM-RFQIPJPRSA-N 384.458 -1.544 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1=O 1325601262 UQQXSPQFOFKBMN-OLZOCXBDSA-N 386.474 -1.371 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 1346303784 DQKXEFYAIZCQTL-CQSZACIVSA-N 386.518 -1.012 30 20 GAED C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354383 LPNWXRGZSIEXDO-QGZVFWFLSA-N 386.416 -1.499 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1797708389 VBYMKXQNNVDPTD-QKDZRIPBSA-N 396.488 -1.258 30 20 GAED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835261097 FVHPDVDSSZPMCX-HNNXBMFYSA-N 388.398 -2.425 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)CC1 1835338731 RCILWYZYKAGEMI-YVEFUNNKSA-N 378.385 -1.145 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836150408 PZBBHBUCAVOLRB-HNNXBMFYSA-N 378.345 -2.783 30 20 GAED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCN1 1840043734 QZAZBXXKILOTNN-MSOLQXFVSA-N 379.413 -1.327 30 20 GAED N#Cc1ncn(CCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 553165902 DGFMQKDXNAUQEX-AWEZNQCLSA-N 375.433 -1.021 30 20 GAED C#CCN=c1nc(N2C[C@H](CO)OC[C@@H]2C)[nH]c(N2C[C@@H](CO)OC[C@H]2C)n1 804557478 PZSPTEUZKVYXON-PYHGIMPFSA-N 392.460 -1.489 30 20 GAED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)NC(=O)NC3=O)cc2)CC1 814221337 XGTBJBZRQJEMBQ-UHFFFAOYSA-N 394.413 -1.243 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)OC)CC1 912543650 GABJKGQOAUQVTF-UHFFFAOYSA-N 383.430 -1.358 30 20 GAED CCOCCCNC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916868429 MXOAKKFAVKCZCN-LLVKDONJSA-N 390.400 -1.315 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1109934250 WOMISJUZLOJZHW-MQYQWHSLSA-N 375.429 -1.212 30 20 GAED C#CCNC(=O)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1131383662 UDGMOGSLCHCKTE-OAGGEKHMSA-N 376.457 -1.046 30 20 GAED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1220522126 CZFRIJSFUAYZPO-PNBKFKSVSA-N 377.445 -1.248 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573285406 HLPGYOIRKPCEAP-RISCZKNCSA-N 386.416 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840041529 SAOHSYYQGPVRQS-KRWDZBQOSA-N 390.352 -1.660 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)CC1 410751209 VRFDDZHMTZMNRN-GFISCPRKSA-N 376.457 -1.340 30 20 GAED C#CCN1CCN(C(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 748816152 CXHZURHLYYOHPY-HZPDHXFCSA-N 384.502 -2.149 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@H]1CCCO1 842163664 NXRHEYCTVYBNGZ-ZIAGYGMSSA-N 384.458 -2.271 30 20 GAED C#CCOCCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588360504 REFQQMIEFWZBGL-UHFFFAOYSA-N 387.400 -1.072 30 20 GAED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786884277 DGLDTYUYBPFEHZ-JONQDZQNSA-N 376.457 -1.028 30 20 GAED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)C(=O)C(=O)O 1790634836 POOXZLIXONJFJQ-KKUMJFAQSA-N 391.424 -1.078 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1792632298 PXZLECZZFNNRDT-LXTVHRRPSA-N 380.445 -1.224 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829701 LITJCDCIZPSDOZ-JFILPPLUSA-N 392.412 -1.834 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(=O)O 1835354039 LCXIAOPFTCWKQP-GUYCJALGSA-N 382.417 -1.191 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840039870 BXXYRMUVFFMEAU-SCLBCKFNSA-N 393.396 -1.943 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CCN1Cc1ccccc1 298566406 FBXIIMLRHIAAEH-HOTGVXAUSA-N 385.424 -1.064 30 20 GAED C=CCN(CCOC)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 410914602 ZKWIXTLAQZXQIS-UHFFFAOYSA-N 382.461 -1.350 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)oc(=O)n3C)c(=O)n(C)c1=O 754963365 AJVIKEUTPJPEAZ-UHFFFAOYSA-N 393.381 -1.159 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)nn1 1118178560 QPFDVEBXNBUDNB-HIFRSBDPSA-N 381.433 -1.047 30 20 GAED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1349760341 KMLCSDZIXJHEQH-HOTGVXAUSA-N 398.529 -1.223 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983373 ZUXJLTFXYGDRRE-AWEZNQCLSA-N 391.302 -1.417 30 20 GAED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1O 1840041066 NVSKCWDPCQMNIN-QGZVFWFLSA-N 392.368 -1.716 30 20 GAED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 469072626 UKWCNZFCMHZHGJ-ZDUSSCGKSA-N 379.504 -1.235 30 20 GAED CCOC(=O)CN(CC(N)=O)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 576162513 IYODNVMLPIVIEP-UHFFFAOYSA-N 382.398 -1.286 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 742634940 ZEGHYCBCAPJHKM-OMNBBPDLSA-N 388.424 -1.958 30 20 GAED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1118205128 WBRNMYUDHMGFHD-ZDUSSCGKSA-N 377.401 -1.429 30 20 GAED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCO1 1324665588 CGGWZCNXVLXJTE-IXDOHACOSA-N 378.473 -1.194 30 20 GAED C=C(CC)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1325658087 BQRUOLMFAAVZDM-UHFFFAOYSA-N 387.506 -1.295 30 20 GAED N#C[C@]12CN(CC(=O)N3CCN(Cc4cnn[nH]4)CC3)C[C@H]1CS(=O)(=O)C2 1577709856 GDNCEYQWZWASDE-XJKSGUPXSA-N 393.473 -1.681 30 20 GAED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1588353433 SAQJWBGXZVXIMY-LERXQTSPSA-N 386.416 -1.238 30 20 GAED CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778925 WHLFJSOSQCXMHQ-LOUJCGABSA-N 379.413 -1.031 30 20 GAED CNC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C1 349504863 SQJBWJBFEYFDBY-WCQYABFASA-N 380.492 -1.004 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1O 970707010 MPOCPMYFHDIARO-ZZVYKPCYSA-N 392.412 -2.023 30 20 GAED CS(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 1341849781 JZLLGCXZQUKZFY-NWDGAFQWSA-N 391.471 -1.376 30 20 GAED O=C(O)C[C@H]1C(=O)NCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1601941246 WKVWCYFZGGJWEG-NSHDSACASA-N 394.409 -1.083 30 20 GAED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795522516 QHEXKSSECWNZAS-MWGHHZFTSA-N 381.391 -1.381 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1O 1025712078 FEMDXFKGUPSVCP-SYQHCUMBSA-N 392.412 -2.174 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1OC 1082151061 ZKWAIZZNIREIHL-LVQVYYBASA-N 392.456 -1.010 30 20 GAED C[C@H](C#N)C(=O)NCc1cn(C2CN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575180000 YJNIJPPWVSOELL-GHMZBOCLSA-N 386.420 -1.266 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1834760806 KXGRDDOEAAAWFS-NVXWUHKLSA-N 382.417 -1.993 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840041174 WLOYPSAHGFQSCJ-OAHLLOKOSA-N 380.382 -1.304 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1847262915 MEUZSXLJTYJQRV-LDIIPZEWSA-N 389.412 -1.402 30 20 GAED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc3ncccn3n2)C1 349604232 SRJNUSJQOGQHIP-UHFFFAOYSA-N 399.458 -0.569 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 374447480 UDYSBFNQPZNRNB-CQSZACIVSA-N 394.519 -1.102 30 20 GAED CS(=O)(=O)N1CC[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 528038339 MJSJCNAGAYUMEE-JTQLQIEISA-N 382.402 -1.579 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 542877031 JYTPKBIMYORPSW-WDEREUQCSA-N 395.445 -1.821 30 20 GAED N#Cc1ncn(CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 558159811 RWTJOGSZQRDXIV-GFCCVEGCSA-N 385.450 -1.063 30 20 GAED N#CCC1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 576268566 JPBCPOCJZKXFBE-UHFFFAOYSA-N 383.474 -1.416 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)NCCCCC#N)C2 1322764915 QCUTVRHPZDSBHY-UHFFFAOYSA-N 377.405 -1.715 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761166 RPCSDUZRRSWKDM-YOEHRIQHSA-N 382.417 -1.492 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839103041 CIHSQSCLNJZLQB-APWZRJJASA-N 378.473 -1.288 30 20 GAED C[C@@](C#N)(NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CC1 11508478 SCISYDJHOPSXGJ-SFHVURJKSA-N 377.445 -1.202 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(NS(C)(=O)=O)C1 600324057 BNIZUCAEPUNTEW-SNVBAGLBSA-N 386.455 -1.015 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@@H]2O)CC1 966004391 LDMVBQZKTFTVLF-DZUCGIPZSA-N 390.484 -1.066 30 20 GAED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566245 RYVFFIRYUMWYNO-INIZCTEOSA-N 382.442 -1.612 30 20 GAED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831487790 RVHUVUPKPZWVBB-CJNGLKHVSA-N 387.506 -1.120 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cn1 275468217 IALVYVRETRMGEA-UONOGXRCSA-N 386.455 -1.271 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H](C)O[C@@H](CO)C3)CC2)c1C#N 410834948 MARHUGHTLSFEMK-GXTWGEPZSA-N 390.444 -1.143 30 20 GAED N#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734038351 FKOJFMXLGFXPCF-SNVBAGLBSA-N 380.382 -1.130 30 20 GAED N#Cc1cnc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 1054787927 HBOJDHTWAKQWOV-MROQNXINSA-N 390.425 -1.716 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1109787203 XPCGTIQPLJWKKI-WOPDTQHZSA-N 377.401 -1.569 30 20 GAED CN1CCC(CNS(=O)(=O)N2CCO[C@H](C#N)C2)(N2CCOCC2)CC1 1212158018 IHWSZNHXDVNEKX-OAHLLOKOSA-N 387.506 -1.158 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1347038051 CTTGVZYOUNYLTI-CYBMUJFWSA-N 399.473 -1.121 30 20 GAED N#CCSCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1577710033 MQEWRRIGSFMXMK-HZSPNIEDSA-N 393.473 -1.286 30 20 GAED C#CC1(O)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1588333412 PPJPMJIGHJHUJG-JTQLQIEISA-N 376.398 -1.260 30 20 GAED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CC1 1795081978 VHQPTRLMBRHAOY-JLVBRIDZSA-N 377.445 -1.346 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(N)(=O)=O 541960381 RUNUWUNBJPYMSY-NSHDSACASA-N 380.430 -1.605 30 20 GAED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834512041 REXVEKKEGWVYOQ-GXTWGEPZSA-N 379.442 -1.106 30 20 GAED CN(C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1)S(C)(=O)=O 1326242060 UWPZORSUFBDWNV-XJKSGUPXSA-N 386.474 -1.007 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 1327975496 ZXUGQVCRXNLSRK-CQSZACIVSA-N 385.490 -1.168 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=N)N)C2 1795598708 YONUTGHBUOHTLF-DABQJJPHSA-N 379.465 -1.659 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 263659018 BXXBQGKKWFWBHZ-UHFFFAOYSA-N 386.455 -1.441 30 20 GAED CC(C)C/N=C(/O)NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 330652262 MSRQUIVHKOTIPG-UHFFFAOYSA-N 383.449 -1.324 30 20 GAED CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349467454 SPOVTBKNZUUFFJ-VXGBXAGGSA-N 383.492 -1.038 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 349476798 PUEWERLNXCMYNW-WCQYABFASA-N 380.492 -1.711 30 20 GAED C[C@@]1(C(N)=O)CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349507215 VGGVYLQAGCGVSV-GFCCVEGCSA-N 378.476 -1.121 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)C1=O 726042318 HMKPFVWOOHYKOJ-JTQLQIEISA-N 380.357 -1.627 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCNC(=O)C1 767678072 CCICXYZFBMEVBI-LLVKDONJSA-N 394.409 -1.273 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 850710045 QNZKDFGNLSGMCV-UHFFFAOYSA-N 377.405 -2.158 30 20 GAED N#Cc1cn(CCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c(=O)nc1O 1565702052 SNLQLBYOOSJXOK-HNNXBMFYSA-N 390.444 -1.267 30 20 GAED CCN(CCC#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 409598374 NYHDLIYBFJGZOM-STQMWFEESA-N 380.492 -1.446 30 20 GAED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)NCCO)n2)c(Cl)c1 439260466 SFGSEEGVTZUSLL-UHFFFAOYSA-N 390.787 -0.439 30 20 GAED Cc1cc(NC[C@H](O)Cn2ccnn2)c(C#N)c(NC[C@@H](O)Cn2ccnn2)n1 596269942 IDFFDGIIGJCGEO-UONOGXRCSA-N 398.431 -0.609 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)NC(C)(C)C)C1=O 726043749 XZIYTKIUIOKPEP-UHFFFAOYSA-N 382.373 -1.463 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 848960575 JYLJHXIGPYCABU-GASCZTMLSA-N 388.515 -1.012 30 20 GAED C#CCOCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1257784986 NVBNXGPRYRAPSU-UHFFFAOYSA-N 388.428 -1.603 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1323766250 PJPKLVDICHAFCT-CYBMUJFWSA-N 387.458 -1.447 30 20 GAED CN(C)S(=O)(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1334460217 ZUZBMPAPZBTYPO-PFONDFGASA-N 385.446 -1.147 30 20 GAED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 1346577125 KSJOGDGFQGGTSK-LLVKDONJSA-N 380.448 -1.324 30 20 GAED Cn1cc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cn1 1356131992 UINMDCZNTNUZSO-AAEUAGOBSA-N 393.425 -1.261 30 20 GAED C#CCNC(=O)CN1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354714 WYVVAVDBUCBKQL-KRWDZBQOSA-N 386.416 -1.499 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1782010285 IHVPDIUOXXZYLM-MLGOLLRUSA-N 376.373 -1.725 30 20 GAED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800778250 JADNBDPNNWUDCJ-ZSBFGKGUSA-N 378.429 -2.089 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839866652 HHLLEAGQNSSKTE-VCBZYWHSSA-N 393.440 -1.383 30 20 GAED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n(C)n1 1840041516 RKKQDDPRGIKQPX-SFHVURJKSA-N 390.396 -1.113 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840178333 CWNACNFRUZEKFJ-IRXDYDNUSA-N 383.401 -1.028 30 20 GAED Cc1nc(C)n(C2CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C2)n1 349477699 JIBPRNKJRDBZMP-UHFFFAOYSA-N 376.464 -1.085 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NS(=O)(=O)NC)CC2)C1=O 555530139 MCACCEUZUZXLBT-UHFFFAOYSA-N 387.418 -1.992 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)c1 595988083 NZHNQGKVALJWRM-CABCVRRESA-N 397.439 -1.628 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCN(c3cnccn3)CC2)c(=O)n(C)c1=O 771896580 DAJCPEQGTITFQV-UHFFFAOYSA-N 393.429 -1.191 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 1324433863 HLTJUIUDNXSPHB-UHFFFAOYSA-N 376.461 -1.487 30 20 GAED C#CCCCC(=O)N[C@H]1CC(=O)N(C2CN(CC(=O)NCc3cnn[nH]3)C2)C1 1574866711 JJTFXGYBIJHLFR-ZDUSSCGKSA-N 387.444 -1.374 30 20 GAED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579008436 VNUUWHLMYMTCTI-QMMMGPOBSA-N 377.390 -1.732 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787018165 MEZIFYUVINSTGB-KKUMJFAQSA-N 387.392 -1.084 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426531 BNWHJDIYUMEAPN-KSSFIOAISA-N 381.429 -1.431 30 20 GAED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)COC1 1839778755 OYLFGZBLHRBNKR-SFHVURJKSA-N 380.397 -1.043 30 20 GAED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)no1 349517725 GJOLMMBVYSTSCV-UHFFFAOYSA-N 392.463 -1.019 30 20 GAED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](O)[C@@H](O)C3)cc2)CC1 600764831 UMGOOQOFNQCZJS-STQMWFEESA-N 387.439 -1.253 30 20 GAED C#CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 819702428 ZEJPBWWYWPCDNG-JTQLQIEISA-N 392.397 -1.174 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@@H]1n1ccnn1 1070031419 XLBRLILDYQWRJP-MQYQWHSLSA-N 388.432 -1.167 30 20 GAED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1129055165 WEFBZCWNOPSHII-FQLMCAECSA-N 378.433 -1.274 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)OC)C2)CC1 1326832681 SQDZPKJDPYBMLK-JSGCOSHPSA-N 379.413 -1.237 30 20 GAED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OCc3cnn[nH]3)CC2=O)C1 1576951975 DAVWJVNUZTYKGS-KGLIPLIRSA-N 390.444 -1.239 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1791079083 ZYUUMNIQKILWRD-JKOKRWQUSA-N 377.353 -1.152 30 20 GAED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)c1 1795634995 JPSWJZHUIVPHBX-OQMKEHIESA-N 388.428 -1.318 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655807 CNRQYQCMYNDOQG-YFKFIEJBSA-N 392.286 -1.231 30 20 GAED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1829866910 REUIYCJHZOQGME-KSSFIOAISA-N 395.412 -1.555 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1830056109 MOGWGPPYTITUKH-SCLBCKFNSA-N 395.460 -1.415 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840040311 UMNBWNWHWPCWIF-KRWDZBQOSA-N 395.368 -2.017 30 20 GAED CNS(=O)(=O)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 378023033 DGUCLWDGLFZQOP-ZDUSSCGKSA-N 386.455 -1.013 30 20 GAED C[C@H](CNC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)S(N)(=O)=O 551429553 VOOHQBMKNWPDGW-PWSUYJOCSA-N 381.414 -1.274 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 728533248 FFDKEYMDQMPSBK-UHFFFAOYSA-N 398.423 -1.861 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 845431489 BZENULXIDWZUME-INIZCTEOSA-N 390.415 -1.190 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801435730 XXHDKNDVUOADKF-QKGCVVFFSA-N 376.417 -1.138 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831425220 RSTRIOMHZKKGBW-YOEHRIQHSA-N 394.432 -1.279 30 20 GAED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1838664616 RENTZTOZNZIZPE-QGZVFWFLSA-N 376.369 -1.124 30 20 GAED Cn1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840041534 SKVDDJHBSGQUMM-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 410148622 GAXKSWMGKXOLSC-LLVKDONJSA-N 384.505 -1.576 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 490879519 UUNANEJZSIOXKC-GXFFZTMASA-N 391.409 -1.012 30 20 GAED O=C(/C=C\CN1CCOCC1)NCC#CCNC(=O)/C=C\CN1CCOCC1 867318133 MWXKYGJRAIVMOF-GLIMQPGKSA-N 390.484 -1.001 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)C1 940520954 GAKIJDUAGUBXOG-LPWJVIDDSA-N 392.412 -1.039 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1329098519 GPHUDHQVWVZAHE-CQSZACIVSA-N 389.474 -1.349 30 20 GAED C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1342614893 IATODULRWLCWMX-CHWSQXEVSA-N 387.444 -1.053 30 20 GAED N#CCSCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C[C@@H]1O 1577709900 HFBCUVRMUOUTDD-RDBSUJKOSA-N 393.473 -1.286 30 20 GAED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783896388 ZAHQMLLZPFCMIP-BBRMVZONSA-N 375.491 -1.579 30 20 GAED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778926 WHLFJSOSQCXMHQ-UMPJEAMMSA-N 379.413 -1.031 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831433097 POVWIIRLACVCOC-DRMAHVMPSA-N 397.472 -1.243 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1834756049 KNTNGGCFNIOEGS-BZNIZROVSA-N 379.373 -2.045 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837526656 VDNJVLDOKSNBJK-IEBWSBKVSA-N 395.456 -1.493 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 779764796 JSIOBFLTPMIFAX-SJORKVTESA-N 385.424 -1.149 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O 1083790335 CCSDEEVFUBDOJF-KBXIAJHMSA-N 378.429 -1.664 30 20 GAED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 1326714964 CBOLKZJRJIPIGW-GJZGRUSLSA-N 384.502 -1.613 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 1333935821 UQLUISTVIRYTJD-CQSZACIVSA-N 380.426 -1.027 30 20 GAED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1346169057 PRFULBRNSNJRIR-UHFFFAOYSA-N 392.460 -1.714 30 20 GAED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1cnnn1 1782606996 NUVYLPSQESQONN-PBFPGSCMSA-N 390.400 -1.164 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1793343914 BJCUUIZGIMGFNP-RDDKANTKSA-N 395.456 -1.235 30 20 GAED C/N=C(/NCCNS(C)(=O)=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 262026492 ZULXNZKEOTUQFH-CQSZACIVSA-N 388.538 -1.261 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)CC1 1835633624 VOBARSQEDWXJRP-SFHVURJKSA-N 390.444 -1.413 30 20 GAED CN1CC[C@@](O)(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 582073996 XLJQCSGVDKHWJD-CQSZACIVSA-N 388.471 -1.167 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OCC(=O)NCC#N 820450393 JZRYJTPLYSZQJG-SECBINFHSA-N 393.385 -1.284 30 20 GAED C#CCN1CCC(C(=O)NC[C@@H](CO)NCC(=O)NCc2cnn[nH]2)CC1 1574966604 FWSBCXFOIKXSND-HNNXBMFYSA-N 377.449 -2.167 30 20 GAED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OCc2cnn[nH]2)CCCO1 1575004885 OTKPYXAFYOVSIG-DZGCQCFKSA-N 378.433 -1.334 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830057662 KDFKIKMKCNBMJK-KRWDZBQOSA-N 377.401 -1.132 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831394150 XQZQGELEKCKLQC-PBHICJAKSA-N 392.416 -1.832 30 20 GAED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H](C)C1 349506285 SVWCEUPEHDINBC-VXGBXAGGSA-N 380.492 -1.006 30 20 GAED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc3ncccn3n2)C1 349509915 ZTKDEXYAOFLXIT-UHFFFAOYSA-N 385.431 -0.959 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)CC1 410751210 VRFDDZHMTZMNRN-QZLJAVCYSA-N 376.457 -1.340 30 20 GAED CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600767473 ABBKUFWAAKKBDD-RWMBFGLXSA-N 397.475 -2.312 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCNC(=O)C1 767678076 CCICXYZFBMEVBI-NSHDSACASA-N 394.409 -1.273 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778932455 MLKQHAGRNZYRCD-DDKKJVIOSA-N 389.412 -1.449 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781418288 DVRCGENANFRAAD-DDKKJVIOSA-N 388.428 -1.034 30 20 GAED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558837 ZXEHKIIDIJSUSN-LRDDRELGSA-N 386.426 -1.415 30 20 GAED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800775729 FAUMCOFYSRNVSD-CCWDJLKJSA-N 392.456 -1.699 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801302485 BFRJGBQMMCAVGQ-WDAIWFPHSA-N 379.398 -1.426 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cnnn1 1835347858 HUKKVANIZZILLM-SUMWQHHRSA-N 389.416 -1.006 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1837213625 MWEJWHSMDHHUQB-MAUKXSAKSA-N 397.428 -1.079 30 20 GAED CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349551536 LCZGVSNPDHLDKK-GHMZBOCLSA-N 398.532 -1.299 30 20 GAED N#Cc1ccc(NCCNC(=O)N2CCN(CCS(N)(=O)=O)CC2)nc1 799883289 WVDFVFSUTXGGHP-UHFFFAOYSA-N 381.462 -1.019 30 20 GAED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920409197 VUOZJKMKTPNJEJ-OLZOCXBDSA-N 379.504 -1.188 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ncnn2)C1 990877995 SPNCNWYMCRGWPZ-MQYQWHSLSA-N 387.404 -1.576 30 20 GAED COCCN(C(=O)CN(CC#N)S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1261200157 OASMFVHWDHPAAV-LBPRGKRZSA-N 396.491 -1.720 30 20 GAED C=CC[C@H](CC)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1323101024 NSKOVSUQAKONHQ-LBPRGKRZSA-N 378.433 -1.054 30 20 GAED N#Cc1cn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=O)nc1O 1587307731 XQGDYLASBDMSLF-GFCCVEGCSA-N 381.414 -1.848 30 20 GAED CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591038671 JXJVZRSQGYQXGX-LLVKDONJSA-N 375.393 -1.801 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778789798 GOYMZPJEUZCRBI-BBRMVZONSA-N 383.357 -2.031 30 20 GAED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597715 XGJMUBRFTZIDFF-YWVIFJGQSA-N 379.461 -1.006 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893139 GWDMERLWGJZYOA-HNNXBMFYSA-N 397.497 -1.042 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2[nH]nnc2C(=O)N2CCCC2)C1=O 436725768 ZRDOJXNZOMKRLA-UHFFFAOYSA-N 375.345 -1.044 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](CC(=O)OC)C2)c1=O 751954784 PYQQUMSICZHKRA-ZDUSSCGKSA-N 380.401 -1.235 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)C1=O 1325680011 RTEXXPCAVNQCLK-HZSPNIEDSA-N 380.445 -1.016 30 20 GAED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575013719 SODKCWDSAZBWTL-SUMWQHHRSA-N 379.417 -1.171 30 20 GAED C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588352988 CQHRXCBMHBCALY-NSHDSACASA-N 386.416 -1.501 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1793340438 HJZPLYZNINBODV-DGMCESFYSA-N 392.412 -1.788 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793342546 JSPKSAOUZYCVHI-USRAEIGSSA-N 380.445 -1.793 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631252 AKAFJNLAOURVEB-JAAXMTQOSA-N 382.461 -1.240 30 20 GAED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800990974 JYXPNNBJKBYNQC-FVCICTRLSA-N 376.413 -1.069 30 20 GAED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831190450 AZSLPUIZRMADRS-SCLBCKFNSA-N 395.412 -1.555 30 20 GAED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 377056713 MYJOEEJXNRZAAR-LBPRGKRZSA-N 375.451 -1.292 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCO1 425228290 HFPBHJSMPCXISW-NSHDSACASA-N 390.447 -1.815 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OCC(=O)O)c(=O)n(C)c1=O 771891000 QNAOZBZRHHPEKG-UHFFFAOYSA-N 396.381 -1.140 30 20 GAED CCOC(=O)CON=C(C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)c1cc[nH]n1 855472652 DMKDURRTEOLPCD-GHMZBOCLSA-N 388.402 -1.378 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 1024389493 IKOZMPBBJLTGLC-QHSBEEBCSA-N 378.433 -1.515 30 20 GAED C#CCNC(=O)CN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1108555650 UURZNULOFBVSCR-HEGZZJKFSA-N 386.452 -1.440 30 20 GAED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1328318050 SZJONNRDZNJJDL-GFCCVEGCSA-N 397.457 -1.235 30 20 GAED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CCO1 1577706816 VNUORYWCTMFNHS-CABCVRRESA-N 390.448 -1.774 30 20 GAED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1592665156 DGXLENDPVMMQOG-YNEHKIRRSA-N 376.398 -1.177 30 20 GAED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1830396084 GSIQGLJPHKXFDT-GOSISDBHSA-N 375.381 -1.061 30 20 GAED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835597571 KBYZUNDQCOADMJ-FDQGKXFDSA-N 381.429 -1.096 30 20 GAED C=CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 57237902 XEEUIWPJYMVTKX-LLVKDONJSA-N 395.441 -1.365 30 20 GAED C/N=C(/NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 261771521 PGEAYZPCKFDTOZ-CYBMUJFWSA-N 397.505 -1.074 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)CC1 511921299 VFRQSZCABSWPLS-UHFFFAOYSA-N 387.466 -2.554 30 20 GAED COC(=O)[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)OC 518796146 UFEMIVQISAICBD-LBPRGKRZSA-N 391.427 -1.045 30 20 GAED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)CC1 600759104 DGIOGHXEXIYDEY-QWRGUYRKSA-N 387.439 -1.253 30 20 GAED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC2(CNC(=O)O2)C1 848956769 BIQKSKATVDEREZ-NSHDSACASA-N 394.475 -1.032 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 1024240663 OALOEKWLPBCIRR-TUVASFSCSA-N 381.429 -1.486 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779094069 CBFTZBHSSYKONT-DOTOQJQBSA-N 381.385 -2.445 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839192258 VCLDDMHOVCXBKJ-CRAIPNDOSA-N 384.429 -1.510 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839806735 CRLUBFQZFBZDOW-INIZCTEOSA-N 377.357 -1.119 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 281983199 VESASJUMUMVDPP-ONGXEEELSA-N 379.398 -1.029 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C(N)=O 349507845 WBJQFGJMGVEFAB-GHMZBOCLSA-N 398.532 -1.217 30 20 GAED Cn1c(=O)c2c(ncn2CCC(=O)NS(=O)(=O)CC(C)(C)C#N)n(C)c1=O 776142636 HXYQNBZOJCKKPC-UHFFFAOYSA-N 396.429 -1.180 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1O 970706924 QSQXQVDZVYNWQF-NDBYEHHHSA-N 380.401 -1.793 30 20 GAED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)nn1 1024365163 LEIIJBUSYLDXSB-MXYBEHONSA-N 379.417 -1.040 30 20 GAED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCN3C(=O)CNC3=O)CC2)cc1 1323482817 WEOSYWUZMSOUQC-UHFFFAOYSA-N 398.423 -1.130 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1328832862 WTTUUZMSBKLVJJ-VIFPVBQESA-N 385.364 -1.017 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CC(=O)NCc2cnn[nH]2)CCO1 1574986330 ZEYAJJOCRDAJAA-HOTGVXAUSA-N 389.460 -1.665 30 20 GAED CC[C@H](C)NC(=O)CN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1629571365 KTVGLWPLCCWTIR-LBPRGKRZSA-N 376.417 -1.121 30 20 GAED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1C 1780435846 HGDFSRUEGDFSNY-KRWDZBQOSA-N 376.369 -1.040 30 20 GAED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1783558309 WSAICTDLWYSQRM-QGZVFWFLSA-N 376.369 -1.040 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)CC1 1786888779 SLDQFZHFIPILAX-XUXIUFHCSA-N 377.445 -1.137 30 20 GAED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1791259725 DZIOKSQLNQIMPG-HTFCKZLJSA-N 384.458 -1.118 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1841054151 QWUOJUDCSZNCEL-QMAVJUDZSA-N 389.412 -1.354 30 20 GAED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CN(C)CCO1 589139132 QFZSRDKSYKJJAI-BXUZGUMPSA-N 377.449 -0.910 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCCN(CC(N)=O)CC1)c1cc[nH]n1 772207181 MYYYDRSJRRSLCA-UHFFFAOYSA-N 380.405 -1.287 30 20 GAED COCCCNC(=O)[C@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 916870709 MVLGSIVAABVHRI-LLVKDONJSA-N 390.400 -1.315 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 1346141915 IVOKPYBVEBYAAT-LLVKDONJSA-N 376.460 -1.768 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712587 JNNGUIVKIKPUKD-UHFFFAOYSA-N 375.429 -1.257 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836214347 OZAIYBNTRNPBSJ-MRXNPFEDSA-N 377.357 -2.178 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCCNC2=O)CC1 349616410 NVWAPINMOYTWOF-LLVKDONJSA-N 378.476 -1.060 30 20 GAED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 1219822152 GDVNIWQFTIIBBO-WCVJEAGWSA-N 391.472 -1.031 30 20 GAED CN(C)C(=O)CN1CCC(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1292920743 OSYVQLNOXACPOF-UHFFFAOYSA-N 376.417 -1.121 30 20 GAED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1327021068 JZVAGQUWYRHAMR-KRWDZBQOSA-N 379.417 -1.941 30 20 GAED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573286063 SPRNZWNGSPNOEA-CYBMUJFWSA-N 386.416 -1.235 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1588351510 XOKFXGDEKBOMLJ-QLFBSQMISA-N 398.427 -1.406 30 20 GAED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788474656 BUJPUTZIMLIWJK-CENBSLRLSA-N 397.384 -1.881 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840041240 ZLSBMKRFJBCIMC-SFHVURJKSA-N 390.396 -1.113 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)C1=O 278465945 YRJLNANZAFZSSK-CHWSQXEVSA-N 383.401 -1.164 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N(CC)CC)CC2)C1=O 299485185 DSZJWBLERBTYMZ-UHFFFAOYSA-N 393.444 -1.024 30 20 GAED CS(=O)(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 571173315 QTMMMKJKYQWUCG-GFCCVEGCSA-N 386.455 -1.013 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@@H]1O 1083789886 CGMAHPZYXUWRCM-NDBYEHHHSA-N 379.417 -1.390 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CS(=O)(=O)C[C@@H]21 1108483346 CNEFHCPUKFGPLD-LJIZCISZSA-N 395.481 -1.387 30 20 GAED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cn1 1253181576 CHFHTFRSRCAMFQ-ZDUSSCGKSA-N 377.405 -1.750 30 20 GAED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)CCOCc3cnn[nH]3)C2)nn1 1575111771 LEGMTPBBNZKTLY-UHFFFAOYSA-N 390.404 -1.508 30 20 GAED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1766945613 QJCMYHQDCNQBRS-NWDGAFQWSA-N 397.461 -1.151 30 20 GAED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1829896181 JGJNSFHBWNSLKP-IBGZPJMESA-N 393.440 -1.127 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563239 BZGRFAKEWJPNLD-DEYYWGMASA-N 395.412 -1.411 30 20 GAED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839080251 KVWZZTFXNQOCQK-TXPKVOOTSA-N 379.457 -1.031 30 20 GAED C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349499436 FIPPPCGUBNVEJY-LLVKDONJSA-N 378.476 -1.156 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 761032706 LSTIVCGFDOWHPZ-AWEZNQCLSA-N 385.490 -1.849 30 20 GAED C#C[C@@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[C@@H]1CCCO1 786138178 HLZRFNPWBFIOPQ-OLZOCXBDSA-N 376.417 -1.161 30 20 GAED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 970663601 CVJYSHZXPSPSBB-JLNYLFASSA-N 390.444 -1.120 30 20 GAED C=CCS(=O)(=O)CCNC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 1347448355 YELDINXTFBQPKA-LBPRGKRZSA-N 395.503 -1.078 30 20 GAED N#Cc1cn(CCO)c(=O)n(CC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1=O 1581876723 DVIYNAGQFMFHCF-UHFFFAOYSA-N 381.352 -1.134 30 20 GAED NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796339607 JHBUBKUPMIXTEZ-IVSAIRAKSA-N 378.473 -1.439 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832693426 JSLCWWLFQIAQBD-BZNIZROVSA-N 379.373 -2.045 30 20 GAED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)cc1 297831965 MHWUXVBLUOIXCS-MRXNPFEDSA-N 385.424 -1.085 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCO1 499494137 TYNGPSHLYGZCBK-CHWSQXEVSA-N 378.476 -1.045 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 578453540 WCWQOHOCUJECHG-HBNTYKKESA-N 375.428 -1.085 30 20 GAED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCCCN(C)S(C)(=O)=O)c1 603911521 PDPHPCYIJKLATN-UHFFFAOYSA-N 384.414 -1.096 30 20 GAED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O 1116284023 GQJVZYBUPFRETJ-UHFFFAOYSA-N 393.491 -1.056 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1n1ccnn1 1128993793 RUSUXJMUOBWMOZ-MQYQWHSLSA-N 391.432 -1.204 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C#N)nc1)C2 1320630250 OQNBIURTVMUBJE-UHFFFAOYSA-N 391.413 -1.396 30 20 GAED CN1CCN(C)[C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 1326594889 DQBMIDWQWLRHMI-LBPRGKRZSA-N 376.465 -1.383 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CS(C)(=O)=O)CC2)c1C#N 1328877714 NBANXJLXLARJCG-LLVKDONJSA-N 396.473 -1.202 30 20 GAED C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353127 HIXCDOXQOBRGCG-LLVKDONJSA-N 386.416 -1.501 30 20 GAED Cn1cnnc1N1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CC1 1600995402 CBGFQTPOOYHTTH-UHFFFAOYSA-N 375.389 -1.319 30 20 GAED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(=O)C(=O)O 1800779194 YUNJHHMHHPXGKX-WDAIWFPHSA-N 381.341 -2.793 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840041900 ODSQMUUQWATPMB-MRXNPFEDSA-N 377.357 -2.178 30 20 GAED C#C[C@H](NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@H]1CCCO1 1322861651 KDNUDGSZHYWQIH-LSDHHAIUSA-N 385.486 -1.091 30 20 GAED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830048907 OZWCFGMJHZJIHN-QGZVFWFLSA-N 396.400 -2.198 30 20 GAED N=C1NCCN1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213702 ZWUORHLNICRHPV-LJQANCHMSA-N 389.456 -1.304 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225729 VPHHDLPSWRMEQE-KBXCAEBGSA-N 391.428 -1.077 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840041289 CPRUOYXWDATSRN-GOSISDBHSA-N 390.348 -1.202 30 20 GAED CCN(C[C@H](C)C#N)C(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276434407 NVNZPTDSMOVGIZ-CYBMUJFWSA-N 377.449 -1.043 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](S(=O)(=O)NC)C2)c1=O 733299242 GMFRYTFKFKQOQK-CYBMUJFWSA-N 399.473 -1.485 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(CC(N)=O)CC2)cc1 810149726 SXWAUFDYMVOTCM-UHFFFAOYSA-N 379.442 -1.144 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)O1 1023465792 HDHSYEQEAVHUGA-APIJFGDWSA-N 389.412 -1.176 30 20 GAED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1342904031 MVTGCIISHSECOS-UHFFFAOYSA-N 394.428 -1.485 30 20 GAED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588505790 XMGFPWYKMCQWSF-OAHLLOKOSA-N 375.389 -1.175 30 20 GAED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835750353 VKEVDOAUGLYVAP-DNVCBOLYSA-N 394.472 -1.161 30 20 GAED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)CC(=O)N1 349600608 MRQTVAKUVOREEW-NSHDSACASA-N 378.476 -1.108 30 20 GAED CCOC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 800063782 NSEQSFFFGZDSEC-UHFFFAOYSA-N 376.435 -1.199 30 20 GAED COCCCn1nccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 1116945321 DVSWQUIQGWFJTG-UHFFFAOYSA-N 384.418 -1.371 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 1320690327 QYWOPOXHALYTHC-OAHLLOKOSA-N 384.502 -1.611 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)CC1 1588351622 BFEJAXZILKCINR-ZIAGYGMSSA-N 397.443 -1.332 30 20 GAED Nc1n[nH]c(CCC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1778852296 GJTPSMLHGHGUPR-INIZCTEOSA-N 376.373 -1.763 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840040910 DYKWCTRWWZNHJD-SFHVURJKSA-N 388.380 -1.437 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1 728531146 DHYNYSPVAKQRRD-HNNXBMFYSA-N 377.445 -1.993 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 728533105 AKTZOQVJGKFIFL-UHFFFAOYSA-N 381.458 -1.228 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1111152402 WQYFVXZGZBNNMG-TUVASFSCSA-N 379.461 -1.220 30 20 GAED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)C(O)O 1783866538 UZEPDQMFNNVDHP-PAGFOZPKSA-N 385.417 -1.194 30 20 GAED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785153330 CNJOIQZPVSWMFE-NGDQXYMTSA-N 384.458 -1.118 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641238 KEVCEARLUMGAFU-JAAXMTQOSA-N 381.429 -1.323 30 20 GAED C#CCCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 848962535 BTMDDQGBDREPHF-UHFFFAOYSA-N 390.491 -1.093 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1O 970711739 LXXQFBZFYXJBMI-WYUUTHIRSA-N 378.389 -2.344 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 1025002690 FLNFJMYUFMOHNG-TUVASFSCSA-N 380.445 -1.913 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1057733904 XXUMVYMBJSIGOA-CBBWQLFWSA-N 383.445 -1.062 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1220041002 RWCHGVGPHJUNDY-NYTXWWLZSA-N 380.445 -1.025 30 20 GAED C=C(CNC(=O)[C@H](C)N1C(=O)CCC1=O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O 1328444502 LBCLZLARTKVBJA-TXEJJXNPSA-N 392.412 -1.150 30 20 GAED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588500968 HGAJGNQFJBGOMR-WQGACYEGSA-N 375.389 -1.177 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789877827 YYOBTXHUADMSBA-JQCNWOQKSA-N 392.456 -1.041 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831597851 LQWUCVUCUZHRSG-SPYBWZPUSA-N 395.456 -1.007 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnnn2C2CCOCC2)c1=O 432723166 SHQDQZGZLAGZNX-UHFFFAOYSA-N 375.389 -1.070 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 892760516 WLXIHJCJRHBSMF-UHFFFAOYSA-N 387.506 -1.108 30 20 GAED C#CCNC(=O)CNCC1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588354018 DANCBWCIWRPUHE-UHFFFAOYSA-N 386.416 -1.499 30 20 GAED Cn1c(CC#N)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 794616097 FMBQBZHNZRVRMC-UHFFFAOYSA-N 393.473 -1.022 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 826556447 ZKBLNLNWINCYBZ-UHFFFAOYSA-N 394.453 -1.063 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CCN1C1CC1 1119015964 YSAQTWUKULFNHC-HZPDHXFCSA-N 388.472 -1.392 30 20 GAED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 1130014635 WSRXMDJFNMPLMM-BARDWOONSA-N 389.460 -1.354 30 20 GAED C[C@]1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CN(CC(=O)NCC#N)CCO1 1575783063 QUNMBNMECQASSH-INIZCTEOSA-N 387.404 -1.345 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)CCC1 1801977759 VYSGOEBJFGQIIS-OPDFLTKYSA-N 389.412 -1.132 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1829771223 MNCACKZTYBQOFO-JNJICJOQSA-N 381.429 -1.318 30 20 GAED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893140 GWDMERLWGJZYOA-OAHLLOKOSA-N 397.497 -1.042 30 20 GAED Cn1c(N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)c(C#N)c(=O)n(C)c1=O 593328829 WTYNVKPRWZWGLS-SNVBAGLBSA-N 375.385 -1.142 30 20 GAED C[C@H](CC(=O)NS(=O)(=O)CC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 766929083 KKJJPFOLURVZFH-MRVPVSSYSA-N 388.427 -1.565 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1 1118249893 KOGLKVCGDIPQLU-BBRMVZONSA-N 384.458 -1.110 30 20 GAED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)CC(=O)NCc3cnn[nH]3)C2)nn1 1575112591 VMSKBWWBVWKNCO-NSHDSACASA-N 387.404 -1.381 30 20 GAED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831477431 BLWIBZDLSCGYHL-GOSISDBHSA-N 395.412 -1.555 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835752784 SKMROSHMBXPUEQ-KDOFPFPSSA-N 380.445 -1.551 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nc(N)ns3)CC2)C1=O 268316269 YOURFXLQWZQPJZ-UHFFFAOYSA-N 379.402 -1.254 30 20 GAED CNC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C1 349489404 GRVNOXFGZXQCBB-VXGBXAGGSA-N 395.507 -1.117 30 20 GAED CNC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 378622252 NJCNRBBGLNZBCG-CQSZACIVSA-N 376.417 -1.050 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1)S(N)(=O)=O 551190710 QDAWOMPPSCRIMV-NSHDSACASA-N 380.430 -1.605 30 20 GAED CN1CC[C@@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 579495274 UVSCPIVRXJVYEO-CQSZACIVSA-N 388.471 -1.167 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 581492133 VCEWUJHIUJOASW-LLVKDONJSA-N 383.448 -1.333 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 779764794 JSIOBFLTPMIFAX-IRXDYDNUSA-N 385.424 -1.149 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1025732884 OTMYGOFYLMZGDK-YFCNSXCBSA-N 380.401 -1.793 30 20 GAED C#CCCN1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 1116479133 JZUQMWSCDIUUCL-KRWDZBQOSA-N 382.530 -1.041 30 20 GAED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1342183709 IJNZUQQISIGYKN-RYUDHWBXSA-N 394.457 -1.065 30 20 GAED C#CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)CCCCc2cnn[nH]2)C1 1575005095 USDRAPLJLLRCSD-SFHVURJKSA-N 390.444 -1.263 30 20 GAED N#Cc1ncc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1-c1nn[nH]n1 1581881891 DLQUNERQVROPMT-SNVBAGLBSA-N 375.418 -1.163 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)C1=O 1588654289 CXEHDIFPBTUSMV-LLVKDONJSA-N 388.388 -1.236 30 20 GAED CC#CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 798203255 VXZDKNRFGMPAPD-UHFFFAOYSA-N 399.450 -1.110 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959319 FRCTXFPXPCPXCZ-UHFFFAOYSA-N 391.471 -1.056 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCO[C@H](CNC(=O)NC)C1)c1cc[nH]n1 862637635 NQDBGBMAYPXTID-LLVKDONJSA-N 396.404 -1.150 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 1261450175 UGMZNDGDGGZUFA-NWDGAFQWSA-N 399.411 -1.351 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285820 OFNHRSWJHBLZSN-JSGCOSHPSA-N 386.416 -1.501 30 20 GAED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(CC(N)=O)C(=O)C1 1581855541 FEJULZMADIARRA-ZDUSSCGKSA-N 382.384 -1.295 30 20 GAED NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835550077 YZLZTLVKCIHLKU-VAGOZBQTSA-N 384.433 -1.070 30 20 GAED NC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836532151 RIOBGOSWBWAANH-UHFFFAOYSA-N 378.429 -1.089 30 20 GAED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1839068388 TWLWUMBWVFWFOS-BEFAXECRSA-N 393.440 -1.127 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840039877 JUKFGUMSPHVLND-SFHVURJKSA-N 388.380 -1.437 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@@H]2CC(=O)OC)c1=O 808213645 SLNJLYGBGYGORM-ZDUSSCGKSA-N 380.401 -1.235 30 20 GAED NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601760 WMQCPYGYGPFRDO-JTQASBFJSA-N 380.493 -1.276 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793340442 HJZPLYZNINBODV-ZHZXCYKASA-N 392.412 -1.788 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1830056317 SMXZGZDNZYYUDO-ACJLOTCBSA-N 395.460 -1.415 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839806440 OSDQMMPMLCPZQV-QGZVFWFLSA-N 399.469 -2.194 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CC)C(=O)N2CCOCC2)C1=O 288414421 ZKNDCZNQXUGNLD-UONOGXRCSA-N 380.445 -1.015 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2S(N)(=O)=O)C1=O 584134107 XTLUVLWWIDCQHU-UHFFFAOYSA-N 380.382 -1.073 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@H]1CCCO1 804869996 LQFAACSUYDRACU-QWHCGFSZSA-N 389.499 -1.222 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1O 964503763 PTKVBXBBKLIRFD-LOUJCGABSA-N 381.429 -1.486 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1n1ccnn1 1129313137 YDFFYSVIMCNZIR-XFMPKHEZSA-N 391.432 -1.204 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1 1325947954 QATVKQBRXFHEDU-UHFFFAOYSA-N 389.460 -1.153 30 20 GAED Cn1cnn(CCC(=O)NCC#CCNC(=O)CCn2ncn(C)c2=O)c1=O 1330409657 UVLQWCISMMLJAO-UHFFFAOYSA-N 390.404 -2.807 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832692060 AHHYFSLBVUIKND-YVEFUNNKSA-N 393.400 -1.655 30 20 GAED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1836065468 ZFGDAUZYQSRKIS-SFHVURJKSA-N 390.396 -1.493 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839810767 QZSSYCONNWDGTO-CQSZACIVSA-N 377.319 -1.246 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3nc(COC)nn3C2)C1=O 268262151 SYDUFDZVEOWAJV-JTQLQIEISA-N 376.373 -1.168 30 20 GAED COC(=O)CNC(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 580091841 NLYGCLJVZZOUOJ-UHFFFAOYSA-N 382.398 -1.184 30 20 GAED Cc1ncc(CO)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1O 771889941 CLHCQHCDSWBIBE-UHFFFAOYSA-N 383.386 -1.702 30 20 GAED CN(C)CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCS(=O)(=O)C1 1149108885 PZLATUUEOWLAAU-ZDUSSCGKSA-N 397.457 -1.212 30 20 GAED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(N)=O 1253810917 AGMCAZFRNQHROO-UHFFFAOYSA-N 389.437 -2.001 30 20 GAED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C 1360714602 QSFIUNBKHHFMNT-QWRGUYRKSA-N 385.450 -1.295 30 20 GAED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575013711 SODKCWDSAZBWTL-CXAGYDPISA-N 379.417 -1.171 30 20 GAED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563053 VSFGZVMSFIZJPS-GUYCJALGSA-N 392.437 -1.069 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836214346 OZAIYBNTRNPBSJ-INIZCTEOSA-N 377.357 -2.178 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1839704784 FWGYTXRNRVBLHA-GOSISDBHSA-N 395.412 -1.601 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840041816 JKSWZEFCUBPGCK-MRXNPFEDSA-N 378.341 -1.727 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840044174 OUFVUXRRINMHTQ-ACJLOTCBSA-N 393.396 -1.943 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 268268830 GWYLFJUYDDWOGP-LLVKDONJSA-N 398.427 -1.279 30 20 GAED C#CCNC(=O)CCN1CCN(CCC(=O)NCC#C)[C@H](C(=O)N(C)C)C1 293796071 MYRVWDAWPIATQW-INIZCTEOSA-N 375.473 -1.660 30 20 GAED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 427808125 WMNJHCVYUGVHIF-CYBMUJFWSA-N 392.437 -1.066 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1O 964615065 DXMNEPXVKDKVCF-NDBYEHHHSA-N 380.401 -1.793 30 20 GAED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111226605 NOXCAEGQDIYJQZ-UTUOFQBUSA-N 376.417 -1.322 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1322638387 QOWQMFMRAXUSKU-MNOVXSKESA-N 387.414 -1.423 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1=O 1346201077 UWOPLDXKXFVLIW-HNNXBMFYSA-N 393.488 -1.100 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)O)C1=O 1602894629 PAWQTUWCZFKSGE-UWVGGRQHSA-N 381.341 -1.172 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575705 ZLDRAHIRIWWPBG-SCLBCKFNSA-N 397.476 -1.501 30 20 GAED C/N=C(/NCCNS(C)(=O)=O)N1CCN(CC(=O)N2CCCCC2)CC1 262297308 YUZDMMQUDMOSPZ-UHFFFAOYSA-N 388.538 -1.259 30 20 GAED CN1CCN(C(=O)CC/N=C(/O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 328740411 NBEKYWXXVFCBHS-ZDUSSCGKSA-N 375.495 -1.064 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349477997 GGOYJAHFKHMWNZ-NSHDSACASA-N 399.454 -1.113 30 20 GAED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C)[C@H]1CCCO1 848964338 OZVWUSBONNUXPR-VXGBXAGGSA-N 391.475 -1.531 30 20 GAED C=CCNC(=O)CN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1213192777 XCVOZTKHRSVPFP-APIJFGDWSA-N 382.461 -1.083 30 20 GAED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1322539196 WGLBVZQSELASHF-LBPRGKRZSA-N 394.457 -1.064 30 20 GAED C#CCO[C@@H](C)C(=O)NC1(CNCC(=O)NCc2cnn[nH]2)CCOCC1 1575013050 JWSYQJHRNDOZAZ-ZDUSSCGKSA-N 378.433 -1.286 30 20 GAED N#C[C@H]1CN(C(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)CCN1C1CC1 1581857116 PXFPXMRUXISABY-NSHDSACASA-N 385.388 -1.282 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588721842 OYWVIXASCFUXPG-CWSCBRNRSA-N 375.389 -1.007 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1783556833 FBPDGXYVSGOCTM-KRWDZBQOSA-N 375.337 -1.383 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1783557381 GJYKUYIJYRSPLS-GOSISDBHSA-N 389.364 -1.781 30 20 GAED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835249744 AQXLWLSBIXHACB-KRWDZBQOSA-N 384.454 -1.099 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1835674370 JIKXOXFJWGSZSQ-KBXCAEBGSA-N 396.492 -1.989 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871315 DTOWOCCEMNWBRE-YVEFUNNKSA-N 379.369 -2.333 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(N)=O)CC1 268810986 DVULUXSRVJVVQJ-GFCCVEGCSA-N 379.442 -1.145 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 468664091 WLBFSAQRZBIPEX-MFKMUULPSA-N 394.409 -1.275 30 20 GAED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)nc1 596002032 QLZCZBLIRZOMHG-RRFJBIMHSA-N 398.423 -1.297 30 20 GAED C#CCN(C)CCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 838622361 GRPBQZIQTLVJFT-UHFFFAOYSA-N 377.445 -1.056 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 850711324 SFNLUFCLTVDIQY-UHFFFAOYSA-N 394.472 -1.512 30 20 GAED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O 969412522 HETIQFPVKOKBIY-LTIDMASMSA-N 385.420 -1.069 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1327926388 HURGOGRSZOSBTQ-CQSZACIVSA-N 389.474 -1.042 30 20 GAED C#CCNS(=O)(=O)N1CCN(c2nnc(C)c(C)c2-c2nn[nH]n2)CC1 1588354280 VCCPQOFDHLKCTO-UHFFFAOYSA-N 377.434 -1.137 30 20 GAED CC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1783582153 IIOPNUXFCMAGBP-AJNGGQMLSA-N 379.413 -1.031 30 20 GAED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039767 HHAGQUXWCATMQL-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@H](N)C(N)=O 1847261340 NGJUFOGRYFISAZ-FDWHTEOGSA-N 377.445 -1.361 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1=O 288371693 FBAMIXHUQXDSEV-ZIAGYGMSSA-N 388.428 -1.113 30 20 GAED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)n1 1328228391 MXWTYZRUXRAHFS-UONOGXRCSA-N 382.442 -1.207 30 20 GAED N#CCC1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 1343809794 KWJCJLMMTLQWDI-UHFFFAOYSA-N 391.428 -1.674 30 20 GAED N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1606345733 HZVYASJEHUBMII-UHFFFAOYSA-N 377.386 -1.368 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833123432 FCLOCVORSFJCAS-SFHVURJKSA-N 388.380 -1.437 30 20 GAED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 410489365 LBZODHGAGXTHMR-GJZGRUSLSA-N 379.461 -1.004 30 20 GAED CO[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@H]1O 577626565 JXOYKAWIHUXNKV-CHWSQXEVSA-N 375.428 -1.131 30 20 GAED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)n1 596599075 RZINHXLBVUVPMW-UHFFFAOYSA-N 379.406 -1.411 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1049134595 JVDOGPCITAUWIX-QHLBIMPKSA-N 377.441 -1.029 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)CCO1 1118330377 MGDBWGLXUSKMIZ-WCQYABFASA-N 378.385 -1.339 30 20 GAED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 1193892320 JSELMLYZSGITHQ-JOCBIADPSA-N 388.424 -1.056 30 20 GAED O=C(C#CC1CC1)NCc1cn(C2CN(CC(=O)NCc3cnn[nH]3)C2)nn1 1577745780 KQTXUQQRFNKCHN-UHFFFAOYSA-N 383.416 -1.401 30 20 GAED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778960957 HYHVFJGYGAGGJV-SJKOYZFVSA-N 380.401 -1.388 30 20 GAED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1CCN(C)CC1 1799186496 LTRMNZDJCHPMKO-AFIMGQEJSA-N 392.456 -1.700 30 20 GAED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1833882900 AYBSTJRPMOMHJM-MRXNPFEDSA-N 377.357 -2.027 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/Cc3cncn3C)CC2)CC1 329640377 ZUKAPLQLLLKIAQ-UHFFFAOYSA-N 385.494 -1.056 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)CCO1 410148623 GAXKSWMGKXOLSC-NSHDSACASA-N 384.505 -1.576 30 20 GAED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1 782249261 HMYQGPBGWVNCRG-UHFFFAOYSA-N 398.400 -1.026 30 20 GAED CN(C)C(=O)[C@@H]1CN(CC(=O)NCCC#N)CCN1CC(=O)NCCC#N 1320023804 KZTZYTZXOHIYKN-AWEZNQCLSA-N 377.449 -1.879 30 20 GAED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354946 BFASUIJDWFNLNX-CMPLNLGQSA-N 375.389 -1.218 30 20 GAED C#CCOCCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588359970 DMFDPCNSIQRCIE-UHFFFAOYSA-N 387.400 -1.072 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)no2)CC1 1602727047 ZVIFYWMRBLHFMA-UHFFFAOYSA-N 378.388 -1.853 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1786701178 WZZIRVFMCMENBH-AVGNSLFASA-N 377.401 -1.178 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)CCC1 1801977708 VAVHSCFPKRRQTL-JJLQDPRZSA-N 389.412 -1.178 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1838325668 ZMVKVLKNFLPXKK-KRWDZBQOSA-N 388.384 -1.441 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839807173 VYHWFUWSIRVTQZ-AWEZNQCLSA-N 375.318 -2.199 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840043023 CRTOUBJADNYXCP-KRWDZBQOSA-N 393.352 -1.675 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(N)(=O)=O 551429547 VOOHQBMKNWPDGW-CMPLNLGQSA-N 381.414 -1.274 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCCn2c(=O)ccn(C)c2=O)C1=O 684181413 PHWLRSALYKAFIU-UHFFFAOYSA-N 377.357 -1.970 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cccc(OCC(=O)O)c2)c(=O)n(C)c1=O 771897315 LDXQJKHJTAIUDY-UHFFFAOYSA-N 396.381 -1.140 30 20 GAED C#CCN=c1nc(N2CC(=O)N(C)C[C@@H]2C)[nH]c(N2CC(=O)N(C)C[C@@H]2C)n1 804637956 OOHKFJBJOAFWFR-STQMWFEESA-N 386.460 -1.328 30 20 GAED CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 912554379 SFXDIGUINSHJPP-UHFFFAOYSA-N 382.358 -1.301 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1253749325 GGRJFHXPUQHVQM-GFCCVEGCSA-N 378.476 -2.625 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H](C)COC 1333467057 GBBNMEDGYRFUSY-ZDUSSCGKSA-N 379.421 -1.607 30 20 GAED C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588500967 HGAJGNQFJBGOMR-HSMVNMDESA-N 375.389 -1.177 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1783567684 WKPCNPNVGJJHSO-KRWDZBQOSA-N 375.337 -2.171 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784485879 SSZKVLCHTRNYAK-NQCBRMCBSA-N 379.457 -1.273 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797963532 GZEUBDLTTVPIME-RKOFLFEYSA-N 395.456 -1.235 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831387449 IFAQDLMWYJAVEF-DEYYWGMASA-N 395.412 -1.411 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831425902 WNRPIFCQBLLTPR-GUYCJALGSA-N 383.449 -1.483 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1840172128 SRSMNTZPJSBWID-KRWDZBQOSA-N 380.401 -1.429 30 20 GAED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H](CO)O1 1117907083 QHJDXFUIKAQALC-MGPQQGTHSA-N 388.428 -1.006 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c(C#N)c1=O 1581748192 RTRHNBWHUCHISZ-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2 1835768519 ANAUSQZSQFUVHU-RDTXWAMCSA-N 381.429 -1.081 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132175 NCGKNDUZKPZQKR-QAPCUYQASA-N 391.428 -1.227 30 20 GAED Cn1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(=O)n(C)c1=O 548697824 DUZFMGIMZBESMP-UHFFFAOYSA-N 395.401 -1.684 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 567916012 GCNMPODGLJMONL-GXTWGEPZSA-N 377.426 -1.393 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2O)CC1 1024131306 GAKDLYQXRWOUPJ-YYIAUSFCSA-N 390.484 -1.256 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2O)O1 1025676901 RDJUGGUOYUCUAC-TUVASFSCSA-N 389.412 -1.176 30 20 GAED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1321366520 KUFHZAZSQKXHNJ-RYUDHWBXSA-N 394.475 -1.919 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793763790 BEYNGGWAUIFRBZ-KEODLESXSA-N 378.341 -2.784 30 20 GAED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1795078863 OGTWHZABCSIEDB-YWVIFJGQSA-N 384.458 -1.780 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040229 SBMZRNDTEKSOBZ-KSSFIOAISA-N 378.381 -1.431 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1840842367 DBEGVFWUDURSBI-QAPCUYQASA-N 397.428 -1.079 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)CCCCC1 600769686 XXBLFDYDOJWBIU-STQMWFEESA-N 395.503 -1.110 30 20 GAED N#CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734038348 FKOJFMXLGFXPCF-JTQLQIEISA-N 380.382 -1.130 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(N)=O)CC3)CC2)o1 1116346724 YMAYCWLJRIQWHP-UHFFFAOYSA-N 375.433 -1.394 30 20 GAED C#CCN1CCC(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[nH]n2)CC1 1588352199 VIAPVFHVRFOYSP-ZDUSSCGKSA-N 385.432 -1.109 30 20 GAED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779226720 YNQKHKLABYYCKT-CXAGYDPISA-N 375.385 -1.168 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1783563864 DDHAQLZMFJFUGF-SFHVURJKSA-N 386.364 -1.062 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N(CC(=O)OC)CC(=O)OC)c1cc[nH]n1 276571176 KLUVNZQEVBWWHM-NBVRZTHBSA-N 384.345 -1.132 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 410135735 RQLSWGKGZOUSRJ-OLZOCXBDSA-N 396.491 -1.466 30 20 GAED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510613074 HSLTZARWPHWOII-AWEZNQCLSA-N 390.448 -1.276 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)CCNS(=O)(=O)CC)CC1 756169483 JOFNVSCPWZJZSE-UHFFFAOYSA-N 380.492 -2.378 30 20 GAED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 834516956 OGTVYZWJLLMEGO-OCCSQVGLSA-N 377.426 -1.352 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 872515207 INLQHAQOIJJDDB-UHFFFAOYSA-N 394.519 -1.876 30 20 GAED CN(C)CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCS(=O)(=O)C1 1545240485 XSVGAMAWCGWZLQ-ZDUSSCGKSA-N 397.457 -1.212 30 20 GAED Cn1cc(C#N)c(=O)n(C/C=C\Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)c1=O 1592563568 USPWMWXHWWTGAM-ARJAWSKDSA-N 397.355 -2.284 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834527618 SUPMZRXMFKJCID-HNNXBMFYSA-N 390.440 -1.075 30 20 GAED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840167324 JNDICMVFZMTVML-HNAYVOBHSA-N 394.472 -1.161 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 31294857 TZMHHKPKOAIANA-UHFFFAOYSA-N 391.453 -1.177 30 20 GAED C[C@@H](C(=O)N(C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1cccn1 1515158211 JFTXTQXBTVRGLH-STQMWFEESA-N 395.441 -1.132 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C(=O)O)CC1 1588486005 GWLOOGCQMBGRTI-UHFFFAOYSA-N 388.427 -1.446 30 20 GAED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1791260516 MNEKBMWRDXPYPI-BJDJZHNGSA-N 384.458 -1.164 30 20 GAED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041348 HNHWAEBYKXAYRZ-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 349497876 CHHNKLFROKBCGP-ZDUSSCGKSA-N 375.476 -1.179 30 20 GAED C[C@H]1C(=O)N(C)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349499896 SFKJWOMISSIZSN-NSHDSACASA-N 377.448 -1.495 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)CC)CC2)c1=O 748079036 NVEXYIQMUILYRL-UHFFFAOYSA-N 399.473 -1.532 30 20 GAED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O 862909501 MXGBLMJXHMAZTD-SECBINFHSA-N 381.370 -1.372 30 20 GAED COCC#CCN1C[C@H](n2ccnn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c2cccc(S(=O)(=O)NCC#N)c2)C1 565231588 VGAIIVSBRIIPFZ-UHFFFAOYSA-N 393.468 -1.094 30 20 GAED COc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1S(N)(=O)=O 570719279 QDMIUDIXGTWXDE-NSHDSACASA-N 390.443 -1.099 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](S(=O)(=O)NC)C2)c1=O 749795301 YAWAPFPFFFLEDF-LBPRGKRZSA-N 385.446 -1.875 30 20 GAED C/N=C(/NCCN1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 849099060 DQCHXVBMMRLUMQ-OAHLLOKOSA-N 391.538 -1.028 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@@H]1O 970713249 DDMXASKIPVMGQR-XEZLXBQYSA-N 393.400 -1.506 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 1325110698 HSFYYZMJUOSOHZ-LSDHHAIUSA-N 399.455 -1.072 30 20 GAED C#CCNC(=O)CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354246 KBALZJPGWZRHGH-NSHDSACASA-N 388.388 -2.117 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783155331 JLBAEHWDCMXOOD-FSYZAOCOSA-N 390.440 -1.189 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1792488628 LSXUXJHMIKKNCK-BEXDMUFCSA-N 388.428 -1.274 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1830055829 DNWXJGROGANNQA-SFHVURJKSA-N 392.460 -1.167 30 20 GAED Cc1ncncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042403 SUAMBISXXDKNSP-GOSISDBHSA-N 388.380 -1.057 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 563429407 YMTAREOVTOSMPR-CHWSQXEVSA-N 375.428 -1.131 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 969393368 UWRFREHDQNGDAS-KBXIAJHMSA-N 376.413 -1.169 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780822507 LWUGEDQJYJDUCN-CXAGYDPISA-N 375.385 -1.120 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793346799 NKNNRXVQNVIGLY-QKGCVVFFSA-N 376.417 -1.138 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631406 HAUHSMOZLCRZQZ-USRAEIGSSA-N 380.445 -1.793 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1829771222 MNCACKZTYBQOFO-DYJXEPLRSA-N 381.429 -1.318 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1834767804 YAKZTRPOXUNHKG-KRWDZBQOSA-N 384.433 -2.357 30 20 GAED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC2)cc1 297831954 MHWUXVBLUOIXCS-INIZCTEOSA-N 385.424 -1.085 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CO)NC(N)=O)CC2)cc1 498049292 YWDJNVDPOPAOFC-CYBMUJFWSA-N 381.414 -1.580 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 588127964 VQCQLNUXPWLIII-UHFFFAOYSA-N 390.488 -1.143 30 20 GAED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)CC1 960499653 PFXWXKCJKJHCQI-LTIDMASMSA-N 388.468 -1.109 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1786704425 PUNKNJHDAUNACV-QBYUYEEZSA-N 380.445 -1.080 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1795602618 KYJDCKFKSPWONS-DABQJJPHSA-N 380.449 -1.474 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831388265 WKWCICRTXIFDDS-KBXCAEBGSA-N 391.428 -1.077 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1839711427 UMYNBQIDLIZWLN-SUMWQHHRSA-N 391.384 -1.617 30 20 GAED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n[nH]1 1840043394 VQYFNPFUUKXKTO-KRWDZBQOSA-N 376.369 -1.124 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840160117 XHZJUKIMVAQXCX-WQGACYEGSA-N 388.490 -1.646 30 20 GAED CC/N=C(/NCCNS(C)(=O)=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261720614 IIHYQHDMMXYBKP-OAHLLOKOSA-N 388.494 -1.189 30 20 GAED C/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 261745982 MXJGFUOSOSRYSY-UHFFFAOYSA-N 390.492 -1.192 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 292339110 OMOYQLZRDGDISZ-HIFRSBDPSA-N 391.432 -1.559 30 20 GAED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@H]1CCS(=O)(=O)C1 532033909 PRLZYJWMFTXTOJ-NSHDSACASA-N 376.460 -1.100 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600769214 QZWBMCIMPDMZQE-SGMGOOAPSA-N 395.503 -1.255 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 963077888 RUJPXDSRGXSVMM-UXOAXIEHSA-N 379.417 -1.183 30 20 GAED C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 1116192245 BDOXSSBNYFVGJI-UHFFFAOYSA-N 381.458 -1.004 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)[C@H]1CCCO1 1320513226 MJWRDZKLENBPJC-UONOGXRCSA-N 377.401 -1.119 30 20 GAED C=CCN1CC[C@@H](N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1=O 1322587268 BUICYWGBVCYVIP-HUUCEWRRSA-N 384.502 -1.306 30 20 GAED CCNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1326510892 IDRINSLKBGWPKL-UHFFFAOYSA-N 394.457 -1.343 30 20 GAED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1S(C)(=O)=O 1329383016 NDVTVVULLADJMG-JSGCOSHPSA-N 383.474 -1.323 30 20 GAED C#CCN(C(=O)C(=O)N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1)C1CCN(C)CC1 1588457920 JRGZERQROLMLDK-KBPBESRZSA-N 379.413 -1.125 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 364894896 TZJGRGKPNNTKGM-UHFFFAOYSA-N 394.388 -0.513 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 564494086 BLVKHSNVARNOKA-LBPRGKRZSA-N 377.382 -1.401 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)CC1 1588431139 SMDHYVXSXXHPEX-UHFFFAOYSA-N 399.469 -1.450 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783633414 MJHNYVCEEXWBKL-XUXIUFHCSA-N 377.397 -1.420 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1800781194 MVLPXYCBPGUTPJ-WDAIWFPHSA-N 379.398 -1.426 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CNC(=O)CCN)C1=O 262830345 UYKNESMVZSIIMH-GFCCVEGCSA-N 379.417 -1.191 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCO1 409567611 QOVYBDCCRVDAIL-ZDUSSCGKSA-N 385.446 -1.778 30 20 GAED CNC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 530271746 BDWUEJLLPYNSRF-CYBMUJFWSA-N 395.441 -1.007 30 20 GAED Cn1cnc2c1c(=O)n(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)c(=O)n2C 771078088 YEFBRAOQNTYPNV-UHFFFAOYSA-N 394.413 -1.426 30 20 GAED N#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)[nH]1 990963204 ZQTUMRUWPXDKPG-WVWOOGAGSA-N 382.384 -1.219 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)nn1 1118178562 QPFDVEBXNBUDNB-UKRRQHHQSA-N 381.433 -1.047 30 20 GAED C=CCN(C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)[C@@H]1CCS(=O)(=O)C1 1602847639 YKCZJDKHVUJWKK-SECBINFHSA-N 395.401 -1.669 30 20 GAED N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)s2)c(=O)n1CC(N)=O 1606336757 KRQSSAFJWDDKDR-UHFFFAOYSA-N 384.406 -1.337 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1832729509 GMUACYVAEXRKRM-LJQANCHMSA-N 386.408 -1.099 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COC)CCO2 1834966027 FKXKVXHWJFFVGB-XDXAGZTOSA-N 381.429 -1.052 30 20 GAED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCCN1 1839123437 POXRACULWYQVAJ-QZTJIDSGSA-N 379.413 -1.327 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1839809444 PTAQMSXXPCPVGE-KDOFPFPSSA-N 397.428 -1.081 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1840044974 KJEOLLIFMSHPKH-KBXCAEBGSA-N 380.397 -1.043 30 20 GAED CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 569852501 PSQVRXIMZWOOAF-UHFFFAOYSA-N 375.433 -1.157 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CCCO1 809012035 PZJYMOHEDKQTFN-STQMWFEESA-N 384.414 -1.493 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C1 1193057244 MAAKBXMEWKKLBH-MTNOOBJLSA-N 392.500 -1.356 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)C1=O 1324373107 KMRXTVJBWPUOJB-GFCCVEGCSA-N 376.373 -1.089 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1782010620 PVWZTVPCDOWQMZ-CXAGYDPISA-N 375.385 -1.120 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793340813 OQWCNWULOVMOQN-JFILPPLUSA-N 392.412 -1.834 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1831387180 DZXQKXXDJCYVGP-KHYOSLBOSA-N 395.456 -1.007 30 20 GAED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)C2=O)cc1 581906354 UFIFBCBGDLMYQC-CABCVRRESA-N 399.407 -1.512 30 20 GAED O=C(N[C@@H]1CCCN(O)C1=O)c1cc(C(=O)N[C@H]2CCCN(O)C2=O)[nH]n1 854649087 PURUZQJSBJHGFR-DTORHVGOSA-N 380.361 -1.370 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1O 1023942553 CLDPLCDTJRWNMX-YFCNSXCBSA-N 389.412 -1.142 30 20 GAED N#Cc1cn(CCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(=O)nc1O 1540401006 WYWBOMYRIDCOBC-UHFFFAOYSA-N 388.428 -1.023 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1782010418 NCDFUOWQZTWSDW-SJKOYZFVSA-N 376.369 -1.536 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800781231 QFKLBEUBQYRWLS-YFKFIEJBSA-N 391.302 -1.658 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837820961 JHWFTCXEMFLRCQ-SFHVURJKSA-N 389.364 -1.055 30 20 GAED C/N=C(/NCCN1C(=O)CNC1=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261975473 NOYWXVLJBCBESG-CQSZACIVSA-N 393.492 -1.258 30 20 GAED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349584158 AMNAGAYTFJIZLE-NSHDSACASA-N 378.476 -1.108 30 20 GAED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286157 VDFUPKVUSKXENQ-GFCCVEGCSA-N 386.416 -1.235 30 20 GAED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788616472 NMJQPYBECGJDEI-AVGNSLFASA-N 396.469 -1.462 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792278133 GDJDTPMWASLVIW-JJVDHKILSA-N 393.444 -1.507 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641236 KEVCEARLUMGAFU-HAFSJTIUSA-N 381.429 -1.323 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831392087 BHJQHFREDFUVIO-GUYCJALGSA-N 381.433 -2.036 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1839711425 UMYNBQIDLIZWLN-DYVFJYSZSA-N 391.384 -1.617 30 20 GAED C#CCOCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 1857791802 QZJHREOKMZFHTH-DRRXZNNHSA-N 394.417 -2.498 30 20 GAED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118153176 UAPGTMMRRXVUOS-RDTXWAMCSA-N 379.461 -1.078 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCN1C1CC1 1119009882 CUIWGDDPKLKEQE-AWEZNQCLSA-N 395.485 -1.178 30 20 GAED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 1588354197 HVGOEQGIZWGLQQ-LBPRGKRZSA-N 386.416 -1.235 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)nn1 1588713155 GZDBJDQPQYQIGF-YPMHNXCESA-N 398.387 -1.412 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778839863 GRENXHSRCFJLQH-DDKKJVIOSA-N 375.381 -1.261 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCO3)C2)CC1 1839870011 PAZZGJQXKOJGMG-FZKQIMNGSA-N 376.413 -1.117 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918215 MNEIIAJLKPGJIP-SUMWQHHRSA-N 384.433 -1.298 30 20 GAED N#Cc1cccc(CCNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1 424498720 JUCUUVSXFRURMB-CYBMUJFWSA-N 379.394 -1.073 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CCOCCN)CC2)c1C#N 600796485 HZJOMRKUHUXDBU-UHFFFAOYSA-N 377.449 -1.318 30 20 GAED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 737696678 UQXFVUHXZIYIGG-UHFFFAOYSA-N 379.358 -1.672 30 20 GAED N#CCOc1cccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 749758094 ATMMJTDCYGSJIA-UHFFFAOYSA-N 395.441 -1.040 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1 848958798 DTZMOFJXOSAGNW-UHFFFAOYSA-N 376.460 -1.731 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@H]1CCCO1 1116669647 HDPGKKPCNQAOMB-LSDHHAIUSA-N 390.444 -1.204 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 1118183193 DNEOGBOKQWXUHO-SFHVURJKSA-N 377.445 -1.370 30 20 GAED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1341316861 VJYAPLSFACLLDE-LBPRGKRZSA-N 383.478 -1.004 30 20 GAED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831406481 RDFOVYOBUYWGKP-SFHVURJKSA-N 397.476 -1.091 30 20 GAED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1835751877 JWEMRDVZGJUNIV-DNVCBOLYSA-N 393.440 -1.081 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840158116 FRVXECYLWAKHEK-RISCZKNCSA-N 380.488 -1.194 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CCc2cn(CC(=O)OC)nn2)c1=O 269415599 KINFSKGKRAMOHJ-UHFFFAOYSA-N 376.373 -1.449 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)CCOCC)CC1 467298353 UTIQDBBIAMXABQ-UHFFFAOYSA-N 376.479 -1.611 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1O 970711712 KUVZBGPGQAXNNU-NDBYEHHHSA-N 378.385 -1.772 30 20 GAED N#CCNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1108575580 DMWVKHDMYZGHMK-MYPMTAMASA-N 375.429 -1.405 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O 1588351407 SPGJFSJPRAPSKK-QLFBSQMISA-N 397.443 -1.272 30 20 GAED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CCO1 1776202000 NYBCJZXONOULGF-YPMHNXCESA-N 376.435 -1.043 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778789816 GOYMZPJEUZCRBI-CJNGLKHVSA-N 383.357 -2.031 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779316352 COJCPRSEOWTWHK-SUMWQHHRSA-N 381.385 -1.945 30 20 GAED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031143 OLQJDSGNMCGXCX-IHRRRGAJSA-N 376.413 -1.069 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793416497 LLXULLRGYKVUKN-CRWXNKLISA-N 393.444 -1.034 30 20 GAED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1837440723 VRXCSLJTNLDXMP-HJSBDDGSSA-N 384.433 -1.775 30 20 GAED NC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563488 ZFGBSVGOZGYHON-FEJSRNTDSA-N 393.444 -1.559 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668957 YNOPNLJRIAMWMP-KRWDZBQOSA-N 391.384 -1.069 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1840842366 DBEGVFWUDURSBI-MAUKXSAKSA-N 397.428 -1.079 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1O 964503119 FVYYRMKIJZPJNO-LOUJCGABSA-N 380.445 -1.913 30 20 GAED C#CCNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1057391903 RHYBOPNGSHADSR-GRDNDAEWSA-N 381.429 -1.886 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CCO1 1622286714 ZLGYVFXXWSBNGW-CQSZACIVSA-N 387.462 -1.038 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1CCN(C)CC1 1783566040 XANVZDXOSNKWSC-BEFAXECRSA-N 392.456 -1.460 30 20 GAED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041720 DLAGHMWADAYLGO-UGSOOPFHSA-N 395.412 -1.602 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCNc1ncccc1C#N 826977812 NVNOGFJVMWXYAI-VXGBXAGGSA-N 381.414 -1.590 30 20 GAED COC[C@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCCO1 1342101559 VVSREXLTQLVNTR-XSAFARDQSA-N 380.401 -1.061 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075943 HFLWJLOQPZMSHG-CYDGBPFRSA-N 380.401 -2.353 30 20 GAED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 568252240 LPUFYKPYVZSXSL-UHFFFAOYSA-N 397.438 -1.155 30 20 GAED C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848929875 JWOCTXQNBGORKI-UHFFFAOYSA-N 399.454 -1.034 30 20 GAED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 1110152660 AGWZSJGACPZPQO-OPDFLTKYSA-N 375.433 -1.211 30 20 GAED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](OC)C1 1213437710 HVGSSLWADBIWNT-APIJFGDWSA-N 382.461 -1.260 30 20 GAED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1789892227 IYVQKKUQCLEKMM-AJNGGQMLSA-N 382.461 -1.239 30 20 GAED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1cc(=O)n2[nH]nnc2n1 1796107323 MGOZUMZCTNSFNL-DRXBFXEBSA-N 397.395 -1.571 30 20 GAED COC(=O)CNC(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 818988368 JBPZVSXUTKJHSX-UHFFFAOYSA-N 396.425 -1.089 30 20 GAED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 848638581 JKAQVHHRLSCKOA-UHFFFAOYSA-N 384.439 -1.060 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@@H]1O 970707418 XMZACSFOVQYCHR-KBXIAJHMSA-N 376.413 -1.088 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)C[C@@H]1O 970711339 CFIIEOWPIVTMNA-ZZVYKPCYSA-N 387.396 -1.085 30 20 GAED C#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1346482169 WOHGHDGESNGTTG-UHFFFAOYSA-N 399.517 -1.458 30 20 GAED C[C@@H](C(=O)NCc1cnn[nH]1)N1CC(CCO)(NC(=O)CSCC#N)C1 1575217595 ROFGBOOQQDLNKG-NSHDSACASA-N 381.462 -1.381 30 20 GAED N#Cc1ncc(N2CCN(C(=O)CN3CCOCC3)CC2)nc1-c1nn[nH]n1 1592708238 CSSGUGPSCQRMRW-UHFFFAOYSA-N 384.404 -1.491 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808652 VEOCDQLLAVCSBA-IHRRRGAJSA-N 395.460 -1.041 30 20 GAED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795931737 LDZXKBNNFLKKCN-WDAIWFPHSA-N 393.425 -1.045 30 20 GAED O=C1NC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)O1 1831564101 XSJWMWSSVFUIMW-KBXCAEBGSA-N 377.397 -1.035 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C)CCO2 1834935516 NBDACMKVHCRZQC-VOFKWLDRSA-N 394.472 -1.137 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838643040 YPWVNDQUGQNDRC-QGZVFWFLSA-N 390.352 -2.072 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(N)=O)CC1 481169812 IZTGKWFOJNXPFF-LBPRGKRZSA-N 379.442 -1.145 30 20 GAED N#Cc1ncn(CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 494547418 OGQZCVYBBBZCGQ-UHFFFAOYSA-N 389.397 -1.091 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H]1CCCO1 809308399 HYCWAOTWALSTLD-ZIAGYGMSSA-N 376.413 -1.767 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O 1116004366 LRPLKUMJMZMBSD-ZDUSSCGKSA-N 391.428 -1.096 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@H]1CCCO1 1117544447 MZKSEAUGMCWJIG-ZIAGYGMSSA-N 378.429 -1.521 30 20 GAED CC(C)(C(=O)NCC#CCNC(=O)C(C)(C)S(C)(=O)=O)S(C)(=O)=O 1320513640 NZNYKQFJJRKOSZ-UHFFFAOYSA-N 380.488 -1.131 30 20 GAED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@H]1CCC2(CN(CC(=O)NCC#N)C2)O1 1575858738 PUQGXINJZYMLPG-TZMCWYRMSA-N 391.432 -1.301 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)N2CCOCC2)CCC1 1797810725 YYDCSLGNRWOJAT-IVSAIRAKSA-N 392.456 -1.080 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839811623 FPVQGILZPKKMNR-INIZCTEOSA-N 397.478 -1.064 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856687 DUWALDLPQCUPII-KSSFIOAISA-N 381.429 -1.383 30 20 GAED N#Cc1ncccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 277044977 PPVJWPZNWVJBGH-CHWSQXEVSA-N 386.455 -1.271 30 20 GAED N#Cc1ncn(CCNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)n1 505824676 GQNMCDMFIDQFFU-UHFFFAOYSA-N 378.370 -1.057 30 20 GAED CNC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 529735979 YRHOQAUCWQCQAJ-ZDUSSCGKSA-N 395.441 -1.007 30 20 GAED N#Cc1cn(CC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c(=O)nc1O 1632792637 LHTIQBBTNXNXRZ-UHFFFAOYSA-N 388.428 -1.023 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1791076157 UOAQCIOKKMBEEH-KKUMJFAQSA-N 387.392 -1.084 30 20 GAED N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835656169 FUTCODNDVAFFHE-INIZCTEOSA-N 398.441 -1.452 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839670722 XOVHHUDTQBBXJJ-KRWDZBQOSA-N 376.369 -1.349 30 20 GAED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040697 ULNKFGDMQKYVOQ-KBXCAEBGSA-N 395.412 -1.555 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1840842365 DBEGVFWUDURSBI-CRAIPNDOSA-N 397.428 -1.079 30 20 GAED Cn1[nH]cnc1=NS(=O)(=O)CCCCS(=O)(=O)N1CC(C)(C#N)C1 349626391 VUNCHYPDAZDGQS-UHFFFAOYSA-N 376.464 -1.066 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 595990246 WAWPWLFMWXXDLY-ZIAGYGMSSA-N 392.460 -2.797 30 20 GAED Cn1cnc2c1c(=O)n(CCCn1cnc(C#N)c1-c1nn[nH]n1)c(=O)n2C 826364839 NRGFQJRSGWRNAT-UHFFFAOYSA-N 381.360 -1.228 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1O 1025711228 KUVZBGPGQAXNNU-LPWJVIDDSA-N 378.385 -1.772 30 20 GAED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](CO)O1 1117907081 QHJDXFUIKAQALC-MCIONIFRSA-N 388.428 -1.006 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)CC1 1588351821 MBFKHARKNHDDHC-HUUCEWRRSA-N 397.443 -1.332 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCC(NC(=O)N3CCOCC3)CC2)CCO1 1622286713 ZLGYVFXXWSBNGW-AWEZNQCLSA-N 387.462 -1.038 30 20 GAED CNC(=S)NCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779044195 XNXWCDVXTDHQGW-MRXNPFEDSA-N 382.442 -1.612 30 20 GAED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)COC1 1840044762 WCEQVHFOZDXARP-GOSISDBHSA-N 380.397 -1.043 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(=O)O 1840159780 NKZRKFYXLOSDPW-HSMVNMDESA-N 389.474 -1.176 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840176000 QSVIVXWDNMMBLC-SFHVURJKSA-N 377.397 -1.056 30 20 GAED O=C(C/N=C(/O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)N1CCCC1 329091988 JUCMLDHPBHMWPS-UHFFFAOYSA-N 393.444 -1.142 30 20 GAED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 410489366 LBZODHGAGXTHMR-HUUCEWRRSA-N 379.461 -1.004 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)NC2(C(=O)O)CCCCC2)CC1 833365634 OKVFRCXQNNYAKT-UHFFFAOYSA-N 386.474 -1.025 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 848959404 HUEGDMVTXBKCRW-UHFFFAOYSA-N 390.487 -1.295 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@@H]1O 970707550 PUQSSOPUDLOXGO-UXOAXIEHSA-N 379.417 -1.183 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354206 ICXDHVWDWPTTEH-QWRGUYRKSA-N 382.384 -1.240 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783931470 IEPRITBRJARUGH-DLBZAZTESA-N 382.369 -1.480 30 20 GAED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1799393837 PVMDGGJLVNXYNF-USRAEIGSSA-N 397.476 -1.030 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831402048 MEJIKJITIBYKPV-KDOFPFPSSA-N 381.429 -1.383 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839080008 XRAOGRGEUFOETK-DCGLDWPTSA-N 381.385 -2.746 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(CC(=O)N(C)C)CC2)C1=O 68602272 BYMNQISRBCBELX-UHFFFAOYSA-N 379.417 -1.368 30 20 GAED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)CO)CC2)n1 377891252 CLAUXHGIUVCSIW-UHFFFAOYSA-N 383.368 -1.259 30 20 GAED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCNS(=O)(=O)NC(C)C)n1 1117619977 ZIZXWPBARRPGHY-UHFFFAOYSA-N 398.489 -1.187 30 20 GAED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118247878 RCNGJLAUOGFJFZ-GOSISDBHSA-N 379.461 -1.124 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 1335339505 INTBGPWIEUTASS-LBPRGKRZSA-N 394.457 -1.448 30 20 GAED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1348178967 NHRSSYMWNLQWLQ-KRWDZBQOSA-N 379.392 -1.256 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O 1573286361 ZRFANWNZBOGMCE-HZSPNIEDSA-N 383.416 -1.580 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235179 MYLSYABXBZVFDN-QAPCUYQASA-N 391.428 -1.227 30 20 GAED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C 348373451 FFCKFWDDQGTEDK-NEPJUHHUSA-N 393.491 -1.060 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349489650 FPLNMPYJQRIWKW-NEPJUHHUSA-N 393.491 -1.411 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)C1=O 372769527 PGTJXQXFAVCXAM-NSHDSACASA-N 386.430 -1.108 30 20 GAED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444528817 ZHSJLWYYGQJTGQ-CYBMUJFWSA-N 387.444 -0.453 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)nc1 595988672 QBTQTYMOIGWFQR-LSDHHAIUSA-N 397.439 -1.628 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@H]1O 964615459 SUNBJXGTOWSYKL-NDBYEHHHSA-N 389.412 -1.142 30 20 GAED COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1343406689 QZLWCEACADRGAD-UHFFFAOYSA-N 389.416 -1.184 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1829765119 HBJKGMAKGMOQIT-WIXIHDJSSA-N 394.472 -1.104 30 20 GAED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cnn1C 1834428461 HWJCQOAGGBJSDM-SFHVURJKSA-N 390.396 -1.113 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841598867 ICOHWABECXEPKH-HNNXBMFYSA-N 397.497 -1.042 30 20 GAED CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349551537 LCZGVSNPDHLDKK-MNOVXSKESA-N 398.532 -1.299 30 20 GAED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1cnn(C)c1 540453516 FGJCEEMCMDJUEB-UHFFFAOYSA-N 380.434 -1.033 30 20 GAED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601423177 LVNWGMDXHMOEGL-HNNXBMFYSA-N 390.488 -1.144 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 759785522 AWBGMVCUZLSDIG-UHFFFAOYSA-N 385.490 -2.543 30 20 GAED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCC1(N2CCOCC2)CC1 1322696129 UBALMWIONIBIBW-CCEZHUSRSA-N 391.428 -1.390 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1=O 1326569001 ZHNMLFKOHHHYHT-LBPRGKRZSA-N 398.441 -1.706 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)nn1 1349045596 MOYSPSXAIYAYEN-UHFFFAOYSA-N 391.432 -1.724 30 20 GAED C[C@@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1cccn1 1515158210 JFTXTQXBTVRGLH-QWHCGFSZSA-N 395.441 -1.132 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O 1588351365 QJGXVBSMHBGZAN-ILXRZTDVSA-N 398.427 -1.406 30 20 GAED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 1588359442 ONBXLUOZVBHPIB-GXTWGEPZSA-N 387.400 -1.074 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)C1=O 1602894605 NIGDUQUZKGDBML-SECBINFHSA-N 387.370 -1.937 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781243771 XSCBHWWSBVDBNY-LRQNFFAQSA-N 378.429 -1.191 30 20 GAED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1825669697 QHZITUMHVMBDCY-QXEWZRGKSA-N 378.410 -1.134 30 20 GAED C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349501540 UKZSIJBPGSVEEK-QWRGUYRKSA-N 387.505 -1.343 30 20 GAED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349584157 AMNAGAYTFJIZLE-LLVKDONJSA-N 378.476 -1.108 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1 848958800 FAKXAVWIDJADFQ-NSHDSACASA-N 392.459 -1.182 30 20 GAED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(O)C2=O)O1 854649173 RLKPAKOWSWMUBM-FIQHERPVSA-N 384.389 -1.473 30 20 GAED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@H]1CCC2(CN(CC(=O)NCC#N)C2)O1 1575858732 PUQGXINJZYMLPG-GXTWGEPZSA-N 391.432 -1.301 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078017 PZHJPWXSWARBFS-RSLFNQERSA-N 396.396 -1.330 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797963531 GZEUBDLTTVPIME-RDDKANTKSA-N 395.456 -1.235 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)c1 1839194336 HVAGKYZQVNFSFY-GOSISDBHSA-N 392.412 -1.035 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1841054366 QEPOFMCGLPEEKK-SCXUMTSISA-N 377.445 -1.359 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC2)c1C#N 410867246 YBBPPVPMMNFCFZ-STQMWFEESA-N 392.460 -1.161 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1O 964503174 HNYHRIWBOVGTKV-GHYVTOPFSA-N 392.412 -1.231 30 20 GAED Cc1cc(C#N)nc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1051462274 YAGKVSVHIPNFSC-RQJABVFESA-N 381.400 -1.084 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)O1 1119140830 JUGAFRWCUXPERQ-ZNMIVQPWSA-N 377.445 -1.063 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1329098517 GPHUDHQVWVZAHE-AWEZNQCLSA-N 389.474 -1.349 30 20 GAED C#CCNS(=O)(=O)N1CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)CC1 1588353659 AFKJJUHAVKWLNV-UHFFFAOYSA-N 377.434 -1.191 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1791078193 ZLCWLPCQMNRWQK-IHRRRGAJSA-N 375.385 -1.264 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800506776 FTTUNBFZFPRXGT-OLDVJPBNSA-N 378.429 -1.430 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)CC1 1800580423 KJCJPGWBMALPOJ-MIFYACCESA-N 380.445 -1.834 30 20 GAED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839717113 SQWLYZUJMDAPKB-SFHVURJKSA-N 390.396 -1.264 30 20 GAED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN(c2ncc(F)cn2)CC1 262306681 OVGNHRYEUOLEDC-UHFFFAOYSA-N 394.455 -1.140 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 409594265 APVXNHNUVCHKMY-UPJWGTAASA-N 380.492 -1.590 30 20 GAED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 429922276 KMECHQJTFSTAMQ-UHFFFAOYSA-N 385.450 -0.777 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 599455390 ODBPJBYZBYVZPA-UHFFFAOYSA-N 389.478 -1.236 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 628547622 JCNIEJUTJNPVSZ-UHFFFAOYSA-N 384.414 -1.400 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCN(C)C)CC2)C1=O 1252792448 AGSHJDJYESNOHW-UHFFFAOYSA-N 393.444 -1.120 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)CC1 1785029562 MVEXNGJAXCAMMY-AVGNSLFASA-N 389.412 -1.178 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829833380 XRIJTXDSSKIXJZ-FUHWJXTLSA-N 392.364 -1.143 30 20 GAED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830631162 AKUUSVDVOLXCNM-QAPCUYQASA-N 382.413 -1.062 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761326 XKOSRPRHSBTPBV-BBRMVZONSA-N 384.389 -1.579 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 349455094 HESUVEHRIIBNNT-TUAOUCFPSA-N 378.476 -1.265 30 20 GAED C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349510247 PVQPTHHCQDCTLQ-LLVKDONJSA-N 378.476 -1.108 30 20 GAED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 728573470 PCRSSEDOISRSKI-LBPRGKRZSA-N 390.444 -2.396 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 1023655865 SAMOJDCQYIZEOM-KKOKHZNYSA-N 375.385 -1.532 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 1129897801 ICYCQZVTOUPGLS-XOUADPBQSA-N 382.428 -1.104 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1800773470 FLLCCFBLXCUITM-KEODLESXSA-N 378.341 -2.784 30 20 GAED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=N)N)CCO2 1835567879 OITVUDVKYMFSLA-GOSISDBHSA-N 397.476 -1.091 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837397119 MTGUMDZWMPFMRK-PMUMKWKESA-N 384.477 -1.698 30 20 GAED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042520 YSTPPCRTAVDKKM-UGSOOPFHSA-N 393.396 -1.779 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2 1840808104 KIBROGMQPGGAPG-SFHVURJKSA-N 390.396 -1.653 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1024476485 PZBDZFLOIVGEPV-VLXAULBPSA-N 392.412 -1.382 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 1117149858 XGUCPMDOLOLCDF-CQSZACIVSA-N 398.485 -1.485 30 20 GAED C#CCOCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1323698948 OACVUCXPNHNMAL-UHFFFAOYSA-N 397.453 -1.318 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830060093 HQTBVOJETXZDHO-SUNYJGFJSA-N 380.445 -1.285 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576205 KIAMWLKMXHVJGH-ZBEGNZNMSA-N 381.341 -2.361 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NCCN2CCN(c3ncccn3)CC2)CCO1 409570065 KXFINJKBKJUPAA-AWEZNQCLSA-N 381.462 -1.343 30 20 GAED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 409595428 PUULVONAFBRIJD-RYUDHWBXSA-N 380.492 -1.052 30 20 GAED N#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1150006020 QMAFXGVHKAIIEA-QSJFSLAZSA-N 380.445 -1.115 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1840475584 HJSBRJMFJSUGRT-CXAGYDPISA-N 389.416 -1.006 30 20 GAED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034040 UAKHMNIICIZZKD-DEDYPNTBSA-N 395.504 -1.052 30 20 GAED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncn(C)n2)CC1 848962607 HWFQGEIRHZLPKI-UHFFFAOYSA-N 390.491 -1.473 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1O 1077019191 MQKHTBUHAGOFPH-TUVASFSCSA-N 380.445 -1.913 30 20 GAED C#CCNC(=O)[C@@H](C)N1CC2(CN(C(=O)CCOCc3cnn[nH]3)CCO2)C1 1574985874 NUWKZKHKNKPTPI-CQSZACIVSA-N 390.444 -1.238 30 20 GAED N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016814 PPMGPBGMKCJYIT-RYFGYPJOSA-N 379.465 -1.229 30 20 GAED C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076718 FSJNIELMYZFZOC-QPSCCSFWSA-N 389.412 -1.018 30 20 GAED NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1796339429 CBUXOFLKQPFWBY-WRYZTLEMSA-N 383.449 -1.609 30 20 GAED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039854 BHKISYFFVWUFEU-QGZVFWFLSA-N 396.400 -2.198 30 20 GAED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1840168956 AKPNLBZYEXNEIN-TXPKVOOTSA-N 379.457 -1.031 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847800648 RWGZRMARYNJNGO-JYJNAYRXSA-N 397.497 -1.043 30 20 GAED Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n1 349452713 DIDQIEPGOCPQQE-UHFFFAOYSA-N 377.448 -1.158 30 20 GAED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 600765465 BDCNXFYZTZCGKG-RYUDHWBXSA-N 390.443 -1.548 30 20 GAED N#Cc1ccc(CNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1116428842 YWCIRUAWTZCDFM-IRXDYDNUSA-N 392.481 -1.050 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 1326529058 FHAQXNDZBRMMGM-QGZVFWFLSA-N 377.401 -2.187 30 20 GAED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1349156376 UOHAYDIPMROPFN-ZDUSSCGKSA-N 377.401 -1.429 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1352343702 DLWVKPRPFBZMSS-ZDUSSCGKSA-N 387.458 -1.401 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1588713205 HSTXVTNJVJMJEQ-DGCLKSJQSA-N 398.387 -1.412 30 20 GAED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 1776202060 WGASXVCEPZSIFK-STQMWFEESA-N 390.418 -1.911 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783633410 MJHNYVCEEXWBKL-RFGFWPKPSA-N 377.397 -1.420 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785626280 BYYSZFIUQSAXKY-KRWDZBQOSA-N 380.449 -1.234 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799408347 VDPYKPMNZHKXCM-BEXDMUFCSA-N 388.428 -1.274 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877391 AOFKAKHFDUAISW-RDTXWAMCSA-N 391.428 -1.077 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 265055061 SCIPCSFXVFMKEZ-IBGZPJMESA-N 389.456 -1.009 30 20 GAED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 745244013 AHFNBRKCQOEBHK-UHFFFAOYSA-N 387.439 -1.045 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 940383897 XDHMDIWMRYZSPK-BYNQJWBRSA-N 376.417 -1.069 30 20 GAED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)nc1 990914466 LKRUHSWZZZUACB-CLWVCHIJSA-N 393.407 -1.042 30 20 GAED CN(C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1)S(C)(=O)=O 1326242057 UWPZORSUFBDWNV-BBRMVZONSA-N 386.474 -1.007 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837730339 WJGSBPSOUMSXHP-QAPCUYQASA-N 396.444 -1.102 30 20 GAED CCn1[nH]c(C)nc1=NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349496253 GSDPLOVLHGMSBH-UHFFFAOYSA-N 376.464 -1.055 30 20 GAED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCNC(=O)C1 805945430 SRXZFHOBPLVFGO-UHFFFAOYSA-N 380.382 -1.662 30 20 GAED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)n1 1044537750 DQNJOLWPNRBXKL-BARDWOONSA-N 388.428 -1.042 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 1261181110 QALIONFIENVIKI-CYBMUJFWSA-N 389.474 -1.201 30 20 GAED C#Cc1ccc(C(=O)N(CCO)CCN[C@@H](C)C(=O)NCc2cnn[nH]2)cn1 1575022459 PXIDYEHXWRQCCV-ZDUSSCGKSA-N 385.428 -1.090 30 20 GAED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 349501199 GFBLIZHTSBMQMA-RYUDHWBXSA-N 383.492 -1.445 30 20 GAED COC(=O)CN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 476551576 SAHFHJHDCDGMKA-JTQLQIEISA-N 382.398 -1.023 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1=O 510235156 HIVZAOBJMXGLAI-UHFFFAOYSA-N 380.382 -1.073 30 20 GAED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2C)c1=O 758056323 UPVCHFPAPPLCTD-LBPRGKRZSA-N 385.449 -1.069 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1001778454 CQRXKEWKOAWFGA-KBXIAJHMSA-N 392.456 -1.124 30 20 GAED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1220524633 YKHWPDGAGJZXKU-HGTKMLMNSA-N 376.417 -1.911 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 1329453747 JOSMNUKKQGGKPO-KGLIPLIRSA-N 376.413 -1.069 30 20 GAED CCN(CC)C(=O)CN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1624630515 SMDYEWVOBPIOFQ-UHFFFAOYSA-N 376.417 -1.167 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)CC1 1783257762 VNWLQYFGFAZRJJ-SFHVURJKSA-N 380.445 -1.593 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664765 OGXGYTLOVUISGY-IUCAKERBSA-N 393.425 -1.264 30 20 GAED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831487794 RVHUVUPKPZWVBB-CZUORRHYSA-N 387.506 -1.120 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839808299 XTHAJIOSIWGOQY-KRWDZBQOSA-N 386.368 -1.879 30 20 GAED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839887455 CWPWJLRQYPCGBY-SWLSCSKDSA-N 376.404 -1.060 30 20 GAED CNC(=O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 594636723 HPLMOXBYOGWGFB-LLVKDONJSA-N 380.492 -1.004 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 735382310 YBLFFXIFDCTWSA-UHFFFAOYSA-N 396.455 -1.150 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCCN2CCCC2=O)CC1 761024893 RGSLRTCKRYBLDZ-UHFFFAOYSA-N 385.490 -1.800 30 20 GAED C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C 795324465 OBSLXHIHYMPGNH-NSHDSACASA-N 396.425 -1.027 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1219866921 FBKIKQLUESETFW-LVQVYYBASA-N 381.477 -1.371 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1327258318 JSAZSZZPXIPGSW-NSHDSACASA-N 380.405 -2.208 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCCN(C=O)CC2)CC1 1333042444 XWPOBJAGJBPUHT-UHFFFAOYSA-N 378.476 -1.154 30 20 GAED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1769380265 NZVAMOWAHGRYBI-LBPRGKRZSA-N 397.461 -1.322 30 20 GAED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1CCN(C)CC1 1781098402 KXWHNNYKIVNBLB-HNAYVOBHSA-N 392.456 -1.460 30 20 GAED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCC1=O 1783557393 LHUIQSUZONSEAX-QGZVFWFLSA-N 376.369 -1.488 30 20 GAED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558838 ZXEHKIIDIJSUSN-MLGOLLRUSA-N 386.426 -1.415 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566481 CFXSDCJZIRFLPN-DYVFJYSZSA-N 381.385 -1.945 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1792629035 IUMLOQZXJYSLBL-NOHGZBONSA-N 377.401 -1.276 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640562 YVTFZJWABVQUIU-LRDDRELGSA-N 385.490 -1.399 30 20 GAED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895003 QCFLQNGZFVIVLS-UHFFFAOYSA-N 383.426 -1.992 30 20 GAED Cn1c(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(=O)n(C)c1=O 808442444 DFDQWWYCSUGIQV-UHFFFAOYSA-N 392.393 -1.023 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1O 964477087 VOXHZWJYVNBAEH-OXIQGZBJSA-N 380.401 -1.793 30 20 GAED C=CCS(=O)(=O)CCNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1347448354 YELDINXTFBQPKA-GFCCVEGCSA-N 395.503 -1.078 30 20 GAED N#CCSCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1592679189 IMULAOYVWOBMRD-CQSZACIVSA-N 375.418 -1.029 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793342544 JSPKSAOUZYCVHI-HAFSJTIUSA-N 380.445 -1.793 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793355290 CDDIYWFFTPQXKM-JAAXMTQOSA-N 382.461 -1.240 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793355291 CDDIYWFFTPQXKM-USRAEIGSSA-N 382.461 -1.240 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837204646 KJOYOBXJKPQYJK-XJKSGUPXSA-N 384.389 -1.579 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cc(S(N)(=O)=O)cn1 538428542 XKOIUPSKKJVGHT-NSHDSACASA-N 390.429 -1.071 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 749982146 VWTRQDGITWWYPJ-MRXNPFEDSA-N 391.453 -1.390 30 20 GAED CNS(=O)(=O)CCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 767106123 WRXQGBBFIVFCNA-UHFFFAOYSA-N 399.429 -1.014 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 899902396 OELJVZWYGISINR-SECBINFHSA-N 383.386 -1.100 30 20 GAED CC1(C)COCCN1CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1323421445 RYGFKISWMLNCDO-CCEZHUSRSA-N 393.444 -1.144 30 20 GAED C=C(CNC(=O)[C@@H](C)N1C(=O)CCC1=O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O 1328444503 LBCLZLARTKVBJA-VXGBXAGGSA-N 392.412 -1.150 30 20 GAED N#CCNC(=O)CN1CC2(C[C@H](NC(=O)CCOCc3cnn[nH]3)CO2)C1 1577706743 RQAMLXOURCSLBV-LBPRGKRZSA-N 377.405 -1.689 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788655682 ONAMCBMSDWRVGG-PYXYIPKBSA-N 387.502 -1.065 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1839806436 OSDQMMPMLCPZQV-KRWDZBQOSA-N 399.469 -2.194 30 20 GAED N#Cc1cn(C2CN(C(=O)NCCC(=O)N3CCOCC3)C2)c(=O)nc1O 527674028 JOSIHNLVTQQKHJ-UHFFFAOYSA-N 376.373 -1.364 30 20 GAED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC(=O)N3CCNCC3)CC2)cc1 578055223 NSPSGWJACFOONB-UHFFFAOYSA-N 398.467 -1.250 30 20 GAED C#CCN=c1nc(N2CC[C@](C)(C(N)=O)C2)[nH]c(N2CC[C@@](C)(C(N)=O)C2)n1 804681728 CJQRMMPUEOUDPR-HDICACEKSA-N 386.460 -1.258 30 20 GAED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1110576646 UAERBFKKLLSFPM-LPWJVIDDSA-N 375.433 -1.211 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nnc(O)nc1O 1110761038 FMOAELDFVZKACV-JLLWLGSASA-N 375.389 -1.423 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@H]1CCCO1 1117544446 MZKSEAUGMCWJIG-UONOGXRCSA-N 378.429 -1.521 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nn1 1118178833 VZGJPAYZZATSKV-KRWDZBQOSA-N 389.416 -1.083 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1 1601062054 DOVQDKXCAJBRTI-DLBZAZTESA-N 380.401 -1.749 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1793343913 BJCUUIZGIMGFNP-FMPTWSOUSA-N 395.456 -1.235 30 20 GAED N=C1NCCN1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213701 ZWUORHLNICRHPV-IBGZPJMESA-N 389.456 -1.304 30 20 GAED CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349445325 FLCRQLICXFCMSF-GHMZBOCLSA-N 375.428 -1.131 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 349511759 QQHWYMZLCLPLIX-YRGRVCCFSA-N 395.503 -1.397 30 20 GAED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349624505 UESUTRSPNJGEEV-LLVKDONJSA-N 379.464 -1.751 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@@H]1n1ccnn1 1129266593 NLAYAJKPGMGFLY-MQYQWHSLSA-N 391.432 -1.334 30 20 GAED CC1(C)COCCN1CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1323421447 RYGFKISWMLNCDO-PFONDFGASA-N 393.444 -1.144 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832814770 WFNDNNGZZJOCIK-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O 299601847 XUKOFFMXBRPZRW-GFCCVEGCSA-N 378.385 -1.187 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2O)nn1 963317273 HDYNOZIQVHKIGY-RJZRQDKASA-N 378.433 -1.515 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1800773352 MRWWMPMNOIJJPH-QOBXEIRBSA-N 378.341 -2.738 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1830985839 SCRKIZUHXQHAAE-KDOFPFPSSA-N 390.396 -1.012 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213048 JUXHIHRUHXZIET-BEFAXECRSA-N 392.456 -1.551 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1834760807 KXGRDDOEAAAWFS-RDJZCZTQSA-N 382.417 -1.993 30 20 GAED CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C=O)O[C@H](CO)[C@@H](O)[C@@H]1O 2382215166 MGEICUVBTAEZNP-DEUYGTQNSA-N 383.350 -5.411 30 20 GAED C#CCNc1nc(NCCS(C)(=O)=O)nc(NCCS(C)(=O)=O)n1 286476604 UFXGSGUKWDPVFS-UHFFFAOYSA-N 376.464 -1.170 30 20 GAED COCCN(CCC#N)S(=O)(=O)NCCC(=O)N1CCN(C(C)=O)CC1 410137733 OCOJYNWNVAUVET-UHFFFAOYSA-N 389.478 -1.236 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)CC1 425899499 CMJDLKBSORMVGE-AWEZNQCLSA-N 379.461 -1.583 30 20 GAED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC#N)cc1 553646196 WBAMDQCTHWYRCM-UHFFFAOYSA-N 382.398 -1.102 30 20 GAED CS(=O)(=O)NC1CC(NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 599053736 IEGQWCXQXUDUCQ-UHFFFAOYSA-N 382.402 -1.533 30 20 GAED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CNC[C@H]2C#N)c1 834512044 REXVEKKEGWVYOQ-TZMCWYRMSA-N 379.442 -1.106 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2c(O)nnc2O)C1 969431179 UGHNQZVYXNEJAQ-WYUUTHIRSA-N 381.389 -1.642 30 20 GAED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1025055633 RMODRXJOYSKGAC-TVFCKZIOSA-N 391.468 -1.033 30 20 GAED C#CCN1CCC(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[nH]n2)CC1 1588352198 VIAPVFHVRFOYSP-CYBMUJFWSA-N 385.432 -1.109 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045477 KXRHRMZKBFAKCA-YZVOILCLSA-N 393.488 -1.179 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1799393834 PVMDGGJLVNXYNF-HAFSJTIUSA-N 397.476 -1.030 30 20 GAED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041280 BXZOQQUKRONBEK-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 410135738 RQLSWGKGZOUSRJ-STQMWFEESA-N 396.491 -1.466 30 20 GAED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 436587680 ZGAJTCWREDHHFU-DGCLKSJQSA-N 397.395 -0.513 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)nn1 1118624288 KCMLNMNFIYVJRS-UHFFFAOYSA-N 385.450 -1.969 30 20 GAED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 1321451504 IVHPQSTYTIDVHS-UHFFFAOYSA-N 383.433 -1.084 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797801604 VLCPFVALMNQFIG-FDQIELQPSA-N 395.456 -1.735 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775685 CIOQAGSDEIZTKY-YWVIFJGQSA-N 376.413 -1.054 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)CCC1 1801979379 BXGOCCOFUOMADD-XFMPKHEZSA-N 377.445 -1.137 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839223858 AXLDYTCCMCPUBR-ZQIUZPCESA-N 385.465 -1.470 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845808705 WOBLOMWULQWONO-WAYWQWQTSA-N 392.412 -1.409 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 966060346 CTMAOJZCVGMDFK-AAXDQBDMSA-N 378.389 -2.344 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H]1CCCO1 1320691395 MUANXKHUZPUVMR-ZIAGYGMSSA-N 389.412 -1.023 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCO1 1321234343 VKPKDEFPIASMAD-WDEREUQCSA-N 395.484 -1.059 30 20 GAED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326263857 OABFMALDJDLYLF-KBXCAEBGSA-N 377.445 -1.372 30 20 GAED NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786892648 KKSABOGYMNUVKL-RVMXOQNASA-N 380.401 -2.353 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631250 AKAFJNLAOURVEB-HAFSJTIUSA-N 382.461 -1.240 30 20 GAED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779096 UESDEEYGKFZMLA-QHBPRCKVSA-N 382.442 -1.852 30 20 GAED C=CCNC(=O)CN1CCN(CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)CC1 27559453 BHRFKQXPSNVAEX-UHFFFAOYSA-N 392.460 -1.369 30 20 GAED CC/N=C(/NCCN1C(=O)CNC1=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261735225 JWOGHRLDHCBDMM-KRWDZBQOSA-N 393.448 -1.186 30 20 GAED C#CCNc1nc(NCC(=O)NCCOC)nc(NCC(=O)NCCOC)n1 286112994 LVCBVFPWVBDJKX-UHFFFAOYSA-N 394.436 -1.734 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCC=C 1109167601 AQBOFHZIYGRPTJ-RDBSUJKOSA-N 375.429 -1.141 30 20 GAED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1129064534 JKTXQVSBHGLITB-LVQVYYBASA-N 391.476 -1.359 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779094086 CBFTZBHSSYKONT-RDJZCZTQSA-N 381.385 -2.445 30 20 GAED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834777449 GXNIHPVRWFJUFM-JXTAAOLFSA-N 394.380 -1.350 30 20 GAED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834777451 GXNIHPVRWFJUFM-MJICGBHWSA-N 394.380 -1.350 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835193814 OSBXAUZLCFNRLW-GOSISDBHSA-N 380.397 -1.043 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)CC1 1837359574 DKBMTQVMWONFFC-KRWDZBQOSA-N 375.385 -1.378 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1=O 377744517 RSSMZCKGZIXKKU-CQSZACIVSA-N 393.444 -1.514 30 20 GAED COCc1noc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n1 436431914 QICXUXASKNQVMF-UHFFFAOYSA-N 375.389 -1.193 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)C1=O 479006875 PWWPBKXSLCHIDR-JQWIXIFHSA-N 394.384 -1.211 30 20 GAED C=CCN(CCOC)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 671357391 IJQCKZJTECQRCV-UHFFFAOYSA-N 376.479 -1.659 30 20 GAED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 970663547 AUOZWLMJDJMXHW-HZMVEIRTSA-N 390.484 -1.256 30 20 GAED N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104519 KOESTMCENFLIGA-ZDPZZTRWSA-N 396.448 -1.172 30 20 GAED O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN1 1831221631 VCYRKLOHRJUXTJ-BEFAXECRSA-N 375.425 -1.008 30 20 GAED N=C(N)SCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041475 OLMFDCQRLHVGSK-INIZCTEOSA-N 398.441 -1.452 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc1 288237170 NZQIBQNPIWNKRF-UHFFFAOYSA-N 388.471 -1.276 30 20 GAED C#CCN1CCN(C(=O)CN2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 748816353 HYOULVPWARUNAQ-SFHVURJKSA-N 393.532 -1.077 30 20 GAED C#C[C@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[C@H]1CCCO1 786138179 HLZRFNPWBFIOPQ-QWHCGFSZSA-N 376.417 -1.161 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1110074418 SRHROURFNYQZSI-CRWXNKLISA-N 375.429 -1.260 30 20 GAED NS(=O)(=O)C[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1304263605 IUHUAIPMDCQXEK-SNVBAGLBSA-N 386.455 -1.138 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 1327445155 ZCPQBTKVYFJNNV-UHFFFAOYSA-N 380.445 -1.320 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1333182266 UVQKCFYDFMBMLO-UHFFFAOYSA-N 377.463 -1.184 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1CCN(C)CC1 1783566041 XANVZDXOSNKWSC-DNVCBOLYSA-N 392.456 -1.460 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1791259722 DZIOKSQLNQIMPG-DGORSVRFSA-N 384.458 -1.118 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1791262366 ZXVANNBSDODTJP-XSEXMBABSA-N 387.502 -1.065 30 20 GAED Cn1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 271246359 GFPVZEFSYXQVJK-UHFFFAOYSA-N 390.425 -1.013 30 20 GAED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc1 275760027 UNQWGUQJXYNEMR-NODXGKJPSA-N 398.441 -1.093 30 20 GAED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC2(CNC(=O)O2)C1 848957537 MQJOEAAQPWUESN-JTQLQIEISA-N 380.448 -1.278 30 20 GAED C=CCn1nnn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 919938694 XNQLBWNRUNHVDF-UHFFFAOYSA-N 381.462 -1.044 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1111152316 SFTQYOJHNWLQRI-TUVASFSCSA-N 377.445 -1.773 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1111272307 LGFQGZDVFBEBFC-SYQHCUMBSA-N 375.429 -1.260 30 20 GAED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640564 YVTFZJWABVQUIU-WBMJQRKESA-N 385.490 -1.399 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCNC(=O)C2)cc1 291173832 ZWTXDFSTSVEQPT-UHFFFAOYSA-N 379.442 -1.225 30 20 GAED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H](C)C1 349506284 SVWCEUPEHDINBC-RYUDHWBXSA-N 380.492 -1.006 30 20 GAED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349539387 WOMRPMQTPXAFIR-VXGBXAGGSA-N 390.443 -1.236 30 20 GAED CN1CC[C@](O)(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 582073995 XLJQCSGVDKHWJD-AWEZNQCLSA-N 388.471 -1.167 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 728571016 TXTVRRKUHWLSPS-LJQANCHMSA-N 385.468 -1.043 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 728608714 QYYXPPKQIIIVPG-UHFFFAOYSA-N 378.454 -1.018 30 20 GAED CCN1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CN(CC)CCO3)[C@H](C#N)C2)C1 912536688 ZRYUQCRAVCSITR-IKGGRYGDSA-N 393.488 -1.009 30 20 GAED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)O1 990962814 TYKPHCFWGFDEJW-CBBWQLFWSA-N 386.412 -1.408 30 20 GAED C=CCN(CCOC)C(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1325384828 FPENYIYSYHIODY-UHFFFAOYSA-N 394.428 -1.533 30 20 GAED C=C(CNC(=O)CCN1C(=O)CCC1=O)CNC(=O)CCN1C(=O)CCC1=O 1347878961 QVBJSNGEAZHKOK-UHFFFAOYSA-N 392.412 -1.147 30 20 GAED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1574936128 GZASGCKPBAXQHI-STQMWFEESA-N 398.489 -1.136 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257539 ZFIJAVUBRYMJEW-LPHOPBHVSA-N 399.488 -1.306 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1783561633 CRBYHASEGQXVRG-KRWDZBQOSA-N 384.352 -1.344 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785626284 BYYSZFIUQSAXKY-QGZVFWFLSA-N 380.449 -1.234 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797801578 VCAFJHMQTRQCIN-FQLMCAECSA-N 380.445 -1.224 30 20 GAED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834238713 FUIDOQKGOGMMAR-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)C1=O 272461799 CPRNGOVVPDQLIT-WDEREUQCSA-N 395.368 -1.084 30 20 GAED C#CCN(CC(=O)N(C)CC(=O)NCCC)CC(=O)N(C)CC(=O)NCCC 298437941 PZTSHEPZVJEDNF-UHFFFAOYSA-N 395.504 -1.109 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CCO1 409567610 QOVYBDCCRVDAIL-CYBMUJFWSA-N 385.446 -1.778 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCN(S(C)(=O)=O)CC2)C1=O 514063197 UCMMSWHKMHPWBW-UHFFFAOYSA-N 386.430 -1.249 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1 584850709 QPEPNGZTMRSNQZ-ZDUSSCGKSA-N 399.498 -1.233 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 1109972101 XIHDOKSBDSMKDO-VWYCJHECSA-N 375.385 -1.019 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778161809 OACQEJMVBDNXCO-KRWDZBQOSA-N 379.369 -1.253 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795579716 IZTHVXNJKNQXKG-FQLMCAECSA-N 393.488 -1.011 30 20 GAED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1801990188 UXUOAPVHYPWCIR-YWVIFJGQSA-N 375.381 -1.163 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834597964 SFYWJLNQWYNRRB-SFHVURJKSA-N 390.348 -1.202 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)C1 1839808159 UDJIAQLFFALTAP-INIZCTEOSA-N 387.356 -2.484 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839917256 ADEAOCOESKEDRX-SFHVURJKSA-N 398.460 -1.967 30 20 GAED N#Cc1ccc(N2CCN(C(=O)CO)CC2)nc1N1CCN(C(=O)CO)CC1 472338165 AGEVVVOVBDHDOP-UHFFFAOYSA-N 388.428 -1.765 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 747277742 JIPZNDHYPOSKGF-UHFFFAOYSA-N 397.457 -1.498 30 20 GAED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)ncc1C#N 847483409 AVXHWXXAXJJYMT-UHFFFAOYSA-N 381.414 -1.022 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H]1CCCO1 1320691051 MUANXKHUZPUVMR-KBPBESRZSA-N 389.412 -1.023 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787427252 DDOMSULWGRIVHV-AJNGGQMLSA-N 382.461 -1.239 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839866650 HHLLEAGQNSSKTE-CLCXKQKWSA-N 393.440 -1.383 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1=O 569875298 LYGVONIKHPZMMZ-GJZGRUSLSA-N 393.488 -1.065 30 20 GAED COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 578668665 KLRSLSLNMQQXMB-CABZTGNLSA-N 391.427 -1.311 30 20 GAED CN(C(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C#N 747928132 PPOSHDCZJRCVKT-UHFFFAOYSA-N 376.373 -1.263 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cc(-c3nn[nH]n3)cs2)c(=O)n(C)c1=O 822685318 XEGGOKPGXIXNJP-UHFFFAOYSA-N 396.414 -1.362 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 1118146482 ZOVFCDPQXREOJS-INIZCTEOSA-N 380.426 -1.042 30 20 GAED CN1CCC(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)(N2CCOCC2)CC1 1118161763 DGUJIULXBFOQJC-IBGZPJMESA-N 393.488 -1.224 30 20 GAED O=C(NC1CC1)C(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318721726 YNLQSOJFPRWDER-FOCLMDBBSA-N 389.412 -1.148 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1326481681 UGNHGEOPALOPRH-HNNXBMFYSA-N 393.469 -1.112 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)nn1 1588620970 OTFNUBIDPFPGDT-PWSUYJOCSA-N 397.403 -1.196 30 20 GAED CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)CC1 1801990168 OPGYNKICOVGPIM-MUJYYYPQSA-N 390.440 -1.123 30 20 GAED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066206 UUQAYMVRSIEIKN-PBHICJAKSA-N 379.505 -1.118 30 20 GAED N#CCCN(CCC#N)C(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 280928063 XZRIENKNSGXOSD-UHFFFAOYSA-N 390.444 -1.355 30 20 GAED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 409593214 HFJIFUKPSBPQHM-GFCCVEGCSA-N 396.491 -1.672 30 20 GAED CC(=NNC(=S)NCC(N)=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 731929571 HQJDCRFXCPZHLQ-UHFFFAOYSA-N 387.443 -1.277 30 20 GAED CN1C(=O)C(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 771888806 HEFJUAJHQIADMC-UHFFFAOYSA-N 377.382 -1.257 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCO1 1322518503 UDXZGAIKOKBMDK-GFCCVEGCSA-N 376.373 -1.569 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)CC1 1332371468 DMDBUAQQUDYELZ-KGLIPLIRSA-N 379.413 -1.643 30 20 GAED C#CC1(O)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1588333423 PWSQEDYQRVXUQW-JTQLQIEISA-N 376.398 -1.260 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 1588713483 MWIYOBSKHAXSNL-DGCLKSJQSA-N 397.403 -1.278 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564176 HYXLIFJYJOXTDA-BBRMVZONSA-N 383.357 -2.031 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794588367 XVTMAHIDVXNHQF-IEWDVVTQSA-N 388.428 -1.123 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840041723 DRLGIMCKGYUMFQ-KRWDZBQOSA-N 376.369 -1.503 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847261873 HFHBMHOYFNQPHU-HFIAYAIUSA-N 392.456 -1.303 30 20 GAED C/N=C(/NCCNS(C)(=O)=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 262026490 ZULXNZKEOTUQFH-AWEZNQCLSA-N 388.538 -1.261 30 20 GAED C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N(C)C 919034270 OZJKNAGEYRWXDK-LLVKDONJSA-N 396.425 -1.027 30 20 GAED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 1321326651 WYMKIOONMVSVFW-UHFFFAOYSA-N 381.458 -1.005 30 20 GAED C#CC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1332357203 ZAYRZYPLJVQKKC-UHFFFAOYSA-N 376.457 -1.139 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 1344984494 KHYWRSPHKZBKKX-HNNXBMFYSA-N 399.407 -1.374 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)nn1 1573351600 TYDQZEHXEDAUGR-YPMHNXCESA-N 398.387 -1.412 30 20 GAED N#Cc1ccc(NCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)nc1 1584464933 IUJPOCLBSYEWLS-UONOGXRCSA-N 379.442 -1.021 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793346800 NKNNRXVQNVIGLY-ZQNQSHIBSA-N 376.417 -1.138 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1797708090 CUDLCWGREIQKCL-QKDZRIPBSA-N 396.488 -1.258 30 20 GAED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(N)=O)ccc1C#N 349514085 DDEMGCIMDPPSPZ-UHFFFAOYSA-N 389.459 -0.860 30 20 GAED O=C(NCC#CCNC(=O)C1=NN2CCCN=C2N1)C1=NN2CCCN=C2N1 613396135 ZWHIFFYIKFTTCY-UHFFFAOYSA-N 384.404 -2.821 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 848958954 OUCWLUOJUMXVCP-LLVKDONJSA-N 380.448 -1.372 30 20 GAED Cc1cc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)n1 1328040719 HBHPEWWKVZIPRV-MPZDIEGVSA-N 394.391 -1.321 30 20 GAED C=CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 1350572923 GLQIOEJGPYZVPS-UHFFFAOYSA-N 387.506 -1.296 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1588352529 NJISKFNVJOMOSU-JSGCOSHPSA-N 385.432 -1.015 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1792485970 ZGRRWXLNPJUTAW-AIYSSGPMSA-N 378.429 -1.477 30 20 GAED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110887 NRXPRYMAIXBDIV-KZFFXBSXSA-N 393.429 -1.666 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831212833 HUYBZTCIDPIKCX-KXBFYZLASA-N 392.456 -1.551 30 20 GAED C/C(=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)O 1840044946 IZEFGFYDRLAYTH-SAYIFAPPSA-N 380.353 -1.438 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(=O)O 1840159783 NKZRKFYXLOSDPW-XHBSWPGZSA-N 389.474 -1.176 30 20 GAED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 51767943 VMLJNPOFMKZOSZ-UHFFFAOYSA-N 388.494 -1.892 30 20 GAED CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349519711 JDYMZTXDYXLWLK-LLVKDONJSA-N 378.476 -1.108 30 20 GAED C#C[C@@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[C@H]1CCCO1 786138177 HLZRFNPWBFIOPQ-CHWSQXEVSA-N 376.417 -1.161 30 20 GAED C=CCS(=O)(=O)CCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 841874548 IHYZZBQPLRSRMV-UHFFFAOYSA-N 380.492 -1.784 30 20 GAED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573286064 SPRNZWNGSPNOEA-ZDUSSCGKSA-N 386.416 -1.235 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1783556673 BXDJESNLLQQERZ-INIZCTEOSA-N 378.341 -2.544 30 20 GAED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786803182 HXHVTRMEQMOMAB-CYDGBPFRSA-N 380.401 -2.353 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395338 FBQHOPJMIAJUBU-NWJSVONSSA-N 384.410 -1.759 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1830056319 SMXZGZDNZYYUDO-SCLBCKFNSA-N 395.460 -1.415 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831425267 BJHFCGRNPHHXEU-ACJLOTCBSA-N 394.428 -1.090 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262422 MKUNPEKAASDLFZ-KRWDZBQOSA-N 376.369 -1.719 30 20 GAED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510613075 HSLTZARWPHWOII-CQSZACIVSA-N 390.448 -1.276 30 20 GAED N#CCCN(CCN1CCOCC1)C(=O)CCn1cc(S(N)(=O)=O)cn1 523577664 ANDRSEYZDMQAFD-UHFFFAOYSA-N 384.462 -1.005 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(CO)CO)CC1 575192751 MBVSITGBZIAPPS-UHFFFAOYSA-N 382.442 -1.666 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 728532680 HGAUYUQZHUIBNG-SFHVURJKSA-N 375.429 -1.400 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1O 1023958826 XCTZWUGUMNEECV-KKOKHZNYSA-N 381.389 -1.642 30 20 GAED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2)cc1 1327222085 QTARRBJAUODNKG-AWEZNQCLSA-N 383.364 -1.090 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076698 DUFYONXCOUOWKS-ASHKBJFXSA-N 397.384 -1.881 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793617358 WTYGFSMJJRNKDL-KSPBDQMDSA-N 389.364 -2.021 30 20 GAED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1837591970 WBSZAYMBSPBZDU-GOSISDBHSA-N 390.396 -1.195 30 20 GAED CC(=O)NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044785 XNYIRGMDOGGPKK-QGZVFWFLSA-N 381.385 -1.943 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 761035530 AJAPRQIJRHCGIQ-KBPBESRZSA-N 385.490 -1.816 30 20 GAED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602864185 YGDFSRUNWYVKPI-UHFFFAOYSA-N 380.386 -1.010 30 20 GAED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782395747 FUHIRTOICDQOPJ-SJKOYZFVSA-N 381.385 -1.056 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831394153 XQZQGELEKCKLQC-YOEHRIQHSA-N 392.416 -1.832 30 20 GAED CN1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)CC1=O 349459844 HWSWHRNQFBKIMH-UHFFFAOYSA-N 387.443 -0.854 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)C1=O 508282090 YNHJBJZOPQWGQW-LBPRGKRZSA-N 391.428 -1.226 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)[C@@H]1CCCO1 1320513222 MJWRDZKLENBPJC-KBPBESRZSA-N 377.401 -1.119 30 20 GAED CN(CCN1CCOCC1)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342097399 LHPSMKFQNKQDBH-PFONDFGASA-N 379.417 -1.580 30 20 GAED N#CCSCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1581858616 NPKXGULDBLIWIH-GXSJLCMTSA-N 375.418 -1.031 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](C(=O)O)C2=O)CC1 1588485456 PPMIVBWSOPDLSR-LBPRGKRZSA-N 386.430 -2.079 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1O 1757036325 HGETVGWRDUHIFY-SYQHCUMBSA-N 379.417 -1.389 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1792484301 KXGLGRIESXQELH-LXBXGBMDSA-N 388.428 -1.123 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1793354750 OLXLEHJUKVMMJR-DGMCESFYSA-N 394.428 -1.235 30 20 GAED NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1815067832 HUGCXEMQHZEICP-RKDXNWHRSA-N 393.425 -1.264 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835568003 UGUDHVDLQCAKMZ-GUYCJALGSA-N 381.433 -2.036 30 20 GAED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840167325 JNDICMVFZMTVML-KXBFYZLASA-N 394.472 -1.161 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CCN)nn1 424550185 SGFAYSKJKDHJJA-CQSZACIVSA-N 377.449 -1.074 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(N)=O)CC1 481169811 IZTGKWFOJNXPFF-GFCCVEGCSA-N 379.442 -1.145 30 20 GAED C=CCN1CC[C@H](N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1=O 799129525 PKZGNGSORRGFLR-KGLIPLIRSA-N 391.515 -1.092 30 20 GAED C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1320305566 YTDSRTZLKDWFAH-NWDGAFQWSA-N 378.472 -1.261 30 20 GAED C=CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 1328668901 GLXGVRQPTYTQPV-UHFFFAOYSA-N 399.473 -1.023 30 20 GAED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@@H]1CCC2(CN(CC(=O)NCC#N)C2)O1 1575858736 PUQGXINJZYMLPG-OCCSQVGLSA-N 391.432 -1.301 30 20 GAED C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 1588359444 ONBXLUOZVBHPIB-OCCSQVGLSA-N 387.400 -1.074 30 20 GAED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086261 DSJROPYNUKOAPY-MJGOQNOKSA-N 377.441 -1.120 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n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c2cn(C)c(=O)nc2O)C1 1023773585 JBLGOKFEEFAYOG-ZRJCITRHSA-N 392.412 -1.231 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC(=O)N3CCOCC3)CC2)c1 1342037789 OCPSNCZVFYLARO-UHFFFAOYSA-N 386.412 -1.423 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1835354909 JSQORNFDXUWRND-QGZVFWFLSA-N 393.400 -1.702 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840042044 XJXZEURCOOODQF-QGZVFWFLSA-N 376.369 -1.573 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCCO1 804869995 LQFAACSUYDRACU-OLZOCXBDSA-N 389.499 -1.222 30 20 GAED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1112529384 WLNXDGUIZAEJEP-ZTENYAIWSA-N 376.457 -1.013 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)CC1 1261122139 BGRGZIRQFRWFMF-HOTGVXAUSA-N 395.456 -1.089 30 20 GAED Cn1c(N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c(C#N)c(=O)n(C)c1=O 1606217474 JYMDQWHRBNVRMG-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CC1 1835345418 LYKRJFWBIRKSHG-SUNYJGFJSA-N 378.429 -1.531 30 20 GAED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1840041674 BIGUZVZKZLUXHF-QGZVFWFLSA-N 392.368 -1.535 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918212 MNEIIAJLKPGJIP-CXAGYDPISA-N 384.433 -1.298 30 20 GAED CCN1CCN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1=O 410714559 MRQJWGNNLQILCT-UHFFFAOYSA-N 387.444 -1.061 30 20 GAED CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 570410494 PZEGHIFRQZOGBS-CHWSQXEVSA-N 375.428 -1.131 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCS(N)(=O)=O 596623289 RIWFTZKCXJNNSA-LBPRGKRZSA-N 397.461 -1.127 30 20 GAED C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[C@H]1CCCO1 773561780 RNEIIJKWRAZCJM-LSDHHAIUSA-N 378.429 -1.120 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2O)CC1 1024131911 ORCUTRBTVDHSHL-YYIAUSFCSA-N 390.484 -1.079 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 1324830598 OKLAPIUJBZELJT-HNNXBMFYSA-N 396.407 -1.031 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C1CC1 1328550152 OBONTWGMPLTGCA-UHFFFAOYSA-N 378.429 -1.307 30 20 GAED CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1OC 1346277864 RPEIZMKELPBJEV-WFPBNFBISA-N 380.401 -1.062 30 20 GAED COCC(COC)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1351854119 HZRHGQICDFFOJO-INIZCTEOSA-N 393.488 -1.009 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)cc1 1602725603 CZKQPYMGRNVMPK-CYBMUJFWSA-N 379.394 -1.035 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)O)C1=O 1602894631 PAWQTUWCZFKSGE-ZJUUUORDSA-N 381.341 -1.172 30 20 GAED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077226 RIHKNSBEAUQBEK-AVGNSLFASA-N 396.469 -1.462 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793354571 BVBNDFXQTTVNJR-JFILPPLUSA-N 394.428 -1.281 30 20 GAED NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797786304 WKRWSYVASDUBRY-XOIINTDNSA-N 392.456 -1.057 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 281517719 HELQFMWEICADDD-KOLCDFICSA-N 379.398 -1.029 30 20 GAED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 553873018 SRBKTBOOKJGTGL-UHFFFAOYSA-N 388.494 -1.892 30 20 GAED C#CCNS(=O)(=O)N1CCN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1 772281643 JLCUVQKUCQGORO-UHFFFAOYSA-N 395.445 -2.455 30 20 GAED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 1117882169 GZTPCQQADYYAKP-QGZVFWFLSA-N 395.391 -2.020 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778781353 NLUMCJOVKRZYEI-GLJUWKHASA-N 397.428 -1.081 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1812878107 COJYSUGKFMKZPY-SUMWQHHRSA-N 383.368 -1.138 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835564829 XCJZBYSRQIDYFP-YVEFUNNKSA-N 396.400 -2.876 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)N2CC3(CCCN3C(=O)CC#N)C2)n(C)c1=O 1842622071 ZHCLUVMTBFADQE-UHFFFAOYSA-N 399.411 -1.449 30 20 GAED N#CCCN(CCN1CCOCC1)S(=O)(=O)N1CCS(=O)(=O)CC1 500061649 UFNSGACZESSDLX-UHFFFAOYSA-N 380.492 -1.491 30 20 GAED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(N)=O 732564112 IUAJUTHOHAJZPM-UHFFFAOYSA-N 388.453 -1.359 30 20 GAED NC(=O)C1=NO[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 793900479 AHPKIMGGUJPZAH-VIFPVBQESA-N 379.398 -1.138 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(O)nnc2O)C1 1024960530 BNAAGAYQUYEMCP-WGBDABJCSA-N 381.389 -1.642 30 20 GAED COCCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118190304 VOPNTIMRPUUTBH-KRWDZBQOSA-N 381.433 -2.230 30 20 GAED N#CCSCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1592678983 BRBUJKGAYQAOLC-CQSZACIVSA-N 375.418 -1.029 30 20 GAED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1839898464 AWOFMZYWCIYEPX-QGZVFWFLSA-N 394.380 -1.516 30 20 GAED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840041533 SKVDDJHBSGQUMM-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 410489367 LBZODHGAGXTHMR-LSDHHAIUSA-N 379.461 -1.004 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCCS2(=O)=O)c1 577446510 OWHFZXQJIHCMFU-UHFFFAOYSA-N 386.455 -1.012 30 20 GAED Cn1nnnc1CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594628765 IWTUQDINPNUXSS-UHFFFAOYSA-N 385.431 -1.467 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCOCCO)[C@H]2CS(=O)(=O)C[C@H]21 1108481941 MPTPIFFUYZRJAF-QXSJWSMHSA-N 388.486 -1.104 30 20 GAED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1119142342 XUFLCMRRPRTFCL-ZDUSSCGKSA-N 386.478 -1.866 30 20 GAED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)CC1 1602960304 BBBVWLUKXQUNKL-UONOGXRCSA-N 386.474 -1.138 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208604 RLXVSHLYPUQMBV-YQYWCBKUSA-N 390.352 -1.761 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)CCC1 1801979901 NGQBHPMUBYCLBS-XFMPKHEZSA-N 377.445 -1.137 30 20 GAED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840040019 LVUCZKQWVRFVPU-SFHVURJKSA-N 380.397 -1.043 30 20 GAED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 468893892 HURCYZXTUXPCTH-CQSZACIVSA-N 377.445 -1.060 30 20 GAED N#Cc1ccc(NCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1 502091149 JUOWGKZUFKVNMD-UHFFFAOYSA-N 386.412 -1.105 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(C)(C)O)CC2)c1=O 742150896 KATZRXWQXSFKCQ-UHFFFAOYSA-N 379.461 -1.110 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@@H]2O)nn1 963317866 RXNAKBRBMOGZHJ-BYNQJWBRSA-N 376.417 -1.320 30 20 GAED CN1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)CC1 1193056589 FPFUAKMSPIIHFY-KONPQCLYSA-N 393.488 -1.466 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1=O 1325907079 PZXGVDVNHBHGFZ-QWHCGFSZSA-N 386.474 -1.228 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1 1329114515 OPPBKSONZGDMLB-RISCZKNCSA-N 389.455 -1.196 30 20 GAED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C(=O)C1=O 1515068676 ZHOJKVABYBZWOO-LLVKDONJSA-N 384.414 -2.357 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1778969273 HGHFCYCFARAPEK-TYILLQQXSA-N 396.488 -1.018 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840041447 MYPMNEAITGNBQQ-GOSISDBHSA-N 390.348 -1.202 30 20 GAED COC(=O)[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 289947284 OZSFFOUHJPQODA-LBPRGKRZSA-N 387.439 -1.001 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1=O 299615285 ZMGSKDJXOHGGAC-UHFFFAOYSA-N 390.360 -2.679 30 20 GAED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 441991475 MEKCFIJTMHAZCT-NSHDSACASA-N 387.400 -1.383 30 20 GAED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 581260996 MYXRFHUXXLHXJJ-UHFFFAOYSA-N 389.459 -1.287 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1cccnc1C#N)C2 1320757864 TVUXOWNILXJMMV-UHFFFAOYSA-N 391.413 -1.396 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588358314 VUMNRDVNILOLSR-CMPLNLGQSA-N 375.389 -1.218 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784392770 RBDUCYTZUPHHPU-OAHLLOKOSA-N 379.398 -1.185 30 20 GAED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 108711214 WFOJWOWAJUTVMK-UHFFFAOYSA-N 397.545 -1.032 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN2CCOCC2)CC(=O)O)C1=O 736106824 MLZVAQDQOBVFDM-UHFFFAOYSA-N 382.373 -1.791 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 970663898 HRGHKPYNLGAKIQ-SFTQSGBHSA-N 376.417 -1.510 30 20 GAED N#Cc1c[nH]c(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 990962400 QSDJGAVUBPKDIJ-WVWOOGAGSA-N 382.384 -1.219 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1327258317 JSAZSZZPXIPGSW-LLVKDONJSA-N 380.405 -2.208 30 20 GAED COC(=O)[C@@H](Cc1cnn[nH]1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1576913248 MXMRPXLRCQOAPM-LLVKDONJSA-N 392.397 -1.256 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831597850 LQWUCVUCUZHRSG-QMTMVMCOSA-N 395.456 -1.007 30 20 GAED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CCC1=O 1834756430 WRQUARYKBNWNHE-QGZVFWFLSA-N 377.401 -1.035 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358207 VKWFAIGZJVALMW-FZKQIMNGSA-N 392.412 -1.643 30 20 GAED CCN1CCN(C/C(O)=N/CCC(=O)N2CCN(C(C)=O)CC2)C(=O)C1=O 329338817 YUTURPGMQBKDPU-UHFFFAOYSA-N 381.433 -1.286 30 20 GAED CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600762110 VXNCFOUOOFNGOB-RYUDHWBXSA-N 389.455 -1.053 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600769770 ZNXFCBYIEOGEAR-RYUDHWBXSA-N 381.476 -1.548 30 20 GAED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C)c2)c1=O 758079173 GJTCKQSVPPMQTI-UHFFFAOYSA-N 385.449 -1.068 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](S(=O)(=O)NCC)C2)c1=O 770675447 LLWHLOCUDOTBSX-ZDUSSCGKSA-N 399.473 -1.485 30 20 GAED COC[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCCO1 1342101558 VVSREXLTQLVNTR-VKLZKGDYSA-N 380.401 -1.061 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351156 GVQFWZSXWNNGQA-OCCSQVGLSA-N 386.416 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1783565072 IGCWRQLFUFRJQR-KRWDZBQOSA-N 390.352 -1.521 30 20 GAED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1792484421 ZGCWSNWZZGVGPV-BZBKMWRSSA-N 379.398 -1.129 30 20 GAED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1837591974 WBSZAYMBSPBZDU-SFHVURJKSA-N 390.396 -1.195 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076693 OHFCUGODARGVKK-DRMAHVMPSA-N 395.456 -1.796 30 20 GAED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349536267 NJAGZVQRFWKPEM-WZRBSPASSA-N 381.476 -1.333 30 20 GAED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccn2)c1=O 505013604 LLUYTMAPWIEVQU-UHFFFAOYSA-N 399.476 -1.207 30 20 GAED CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)CC1 575059144 HVVQCFZXJWAFPK-UHFFFAOYSA-N 376.417 -1.533 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)NS(=O)(=O)CC2(C#N)CCC2)n(C)c1=O 771080149 WELUMDSHGAWZBJ-UHFFFAOYSA-N 394.413 -1.426 30 20 GAED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C 848960864 OJMUZCDDFWVOJG-UHFFFAOYSA-N 387.487 -1.034 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1023978202 VXOFEIWOZJHCTA-SFTQSGBHSA-N 392.416 -1.954 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911884 RYUSDDPUHLYUGK-QPSCCSFWSA-N 389.518 -1.429 30 20 GAED CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072306 AFXTYDHNCNVOSA-KKUMJFAQSA-N 379.413 -1.078 30 20 GAED CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774210 SOLGUGJHASXCRA-YWVIFJGQSA-N 379.413 -1.174 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1833074665 XHBKFMTUCLIAFR-ARJAWSKDSA-N 394.472 -1.273 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837204645 KJOYOBXJKPQYJK-CZUORRHYSA-N 384.389 -1.579 30 20 GAED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349502870 RKOZUKMZGYXXPG-LBPRGKRZSA-N 393.491 -1.409 30 20 GAED CC#CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 440605089 KMEGSRBCXCCFMI-UHFFFAOYSA-N 378.410 -1.115 30 20 GAED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCNC1=O 595962405 QWFGJSATQRDGCF-GWCFXTLKSA-N 378.476 -1.204 30 20 GAED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 863602074 AYQKRWVQSWVIMI-STQMWFEESA-N 399.450 -1.440 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCN(O)C1=O 1589974480 QFAHGYOLIMBNID-KWQFWETISA-N 395.401 -1.360 30 20 GAED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039770 HHAGQUXWCATMQL-SFHVURJKSA-N 390.396 -1.113 30 20 GAED C/N=C(/NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1CN2CCN1CC2 261661968 BBTPAAJTRINWQC-ZOFXXKQRSA-N 386.500 -1.042 30 20 GAED C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349480727 YBKOVTLJNZPUPG-LBPRGKRZSA-N 391.475 -1.452 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)CNC2=O)c1 581101975 IRBNYKBUBNCVFW-UHFFFAOYSA-N 379.398 -1.105 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 736167884 UNTBPEFNCXCTNW-HOTGVXAUSA-N 396.513 -1.469 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)CC1 1332371470 DMDBUAQQUDYELZ-ZIAGYGMSSA-N 379.413 -1.643 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 1349213688 BLMWQLMREOCGOH-CRAIPNDOSA-N 379.461 -1.614 30 20 GAED COCc1noc(CN2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)n1 1349345054 WARTWDLSRUNPRN-KRWDZBQOSA-N 392.416 -1.263 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 793741897 GPUZNPGQTLIPTL-KGLIPLIRSA-N 386.474 -2.023 30 20 GAED CC(C)OCCS(=O)(=O)NCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 820146842 SGUQXWYUFXVXBN-UHFFFAOYSA-N 383.394 -1.256 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3nn[nH]n3)s2)c(=O)n(C)c1=O 822685306 WZSSETPDPUIAGK-UHFFFAOYSA-N 396.414 -1.362 30 20 GAED CC#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1261311905 CYHLWRIPLLZNKQ-UHFFFAOYSA-N 385.490 -1.896 30 20 GAED CN(C)CCNC(=O)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1444932812 RYWFLZGHOZYXBM-UHFFFAOYSA-N 376.417 -1.263 30 20 GAED C#CCN1CCN(C(=O)Cn2c(=O)c(-c3nn[nH]n3)c(C)n(C3CC3)c2=O)CC1 1588353307 NFAJIDCGGAWJAI-UHFFFAOYSA-N 398.427 -1.389 30 20 GAED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785154097 JBRLOCDZILMCDI-XUXIUFHCSA-N 376.413 -1.022 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839229203 DFALNTLILWLUIC-SUMWQHHRSA-N 399.448 -1.088 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 731192345 YUFBCCHVVYMCJX-UHFFFAOYSA-N 387.440 -1.392 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 735380157 DDLHHTGBDNJVEN-UHFFFAOYSA-N 390.429 -1.683 30 20 GAED COCCCNC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916871420 VRRPQQBBSCZKCE-JTQLQIEISA-N 376.373 -1.705 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1111005179 DUPBFQBHCWEJHD-IEBDPFPHSA-N 381.418 -1.968 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCN1C1CC1 1119015965 YSAQTWUKULFNHC-JKSUJKDBSA-N 388.472 -1.392 30 20 GAED C#CCN1CCC[C@H](NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 1330935870 SZHGQOKZCHALCN-AWEZNQCLSA-N 389.460 -1.244 30 20 GAED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778960951 HYHVFJGYGAGGJV-PXAZEXFGSA-N 380.401 -1.388 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1792490041 GNJUGVXBKFDNQS-YOEGPNAJSA-N 375.381 -1.478 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793344489 QFLKUBBENQVPQW-XLKGFZLASA-N 395.456 -1.735 30 20 GAED N=C1NCCN1CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664308 DMFIHTAACUOAOA-SECBINFHSA-N 390.425 -1.017 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831401927 JUDGVZAPBGFONH-SPYBWZPUSA-N 393.440 -1.383 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840041292 CRJKAYKYGVJMDK-SFHVURJKSA-N 395.412 -2.137 30 20 GAED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041938 QRQMQAZARGDURV-SFHVURJKSA-N 395.412 -1.697 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034418 PQKKYUXCXJFRRY-UHFFFAOYSA-N 397.472 -1.014 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 478977536 RMCUENMAZRNRIK-LBPRGKRZSA-N 391.409 -1.011 30 20 GAED Cn1c(=O)c2c(ncn2CCC(=O)NS(=O)(=O)CC2(C#N)CC2)n(C)c1=O 793196491 IYPULKCRDAANEG-UHFFFAOYSA-N 394.413 -1.426 30 20 GAED CCN=c1nc(NCC)n2c(SCC(=O)NCC(=O)NCC#N)n[nH]c2n1 804820266 DQARSIHTCVIRDM-UHFFFAOYSA-N 392.449 -1.347 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 892838586 OWAZDCMAEXCWAG-GJZGRUSLSA-N 387.506 -1.110 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1O 1023915886 INIDYOVOOWEQGA-WGBDABJCSA-N 393.400 -1.044 30 20 GAED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 1025696117 PQKRRRMFMTWGFC-YYIAUSFCSA-N 390.484 -1.079 30 20 GAED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1044656890 GVAROAISWUROLC-HEHGZKQESA-N 379.413 -2.133 30 20 GAED C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322942485 NHBKCAFFIHOUSF-VCHHOEMESA-N 379.417 -1.534 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 1329348972 GYOCYEQEXPDDAK-NNSCZBDESA-N 386.408 -1.213 30 20 GAED CCN(CCC#N)C(=O)Cn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1577909238 IMZCYGVOUDFTRI-UHFFFAOYSA-N 376.377 -1.747 30 20 GAED C#C[C@H](NC(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1)[C@@H]1CCCO1 1588330269 YKVNGSUIEGAKKG-RYUDHWBXSA-N 386.372 -1.124 30 20 GAED C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588505789 XMGFPWYKMCQWSF-HNNXBMFYSA-N 375.389 -1.175 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1793361133 IHYSCMSPKKGHEG-GUIRCDHDSA-N 397.428 -1.290 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959897 KWJQJXOENAHNCP-SCLBCKFNSA-N 393.396 -1.943 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831023989 NGTMSOXWSTWPFK-QGZVFWFLSA-N 395.368 -2.017 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832331918 ABUWRKIIJQWNBD-SFHVURJKSA-N 392.412 -1.592 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838108914 VGPOVOCRUZYCKW-MRXNPFEDSA-N 379.325 -1.462 30 20 GAED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041718 DLAGHMWADAYLGO-FZKQIMNGSA-N 395.412 -1.602 30 20 GAED C[C@@H]1CNc2c(cccc2S(=O)(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 2048532191 NCVPHVMJOKPOQM-WCEGMFJQSA-N 391.442 -1.568 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1=O 266226148 SDWHQKONCLTRFC-LLVKDONJSA-N 388.384 -1.073 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 349453978 BDZUSAFZEVMOSQ-NWDGAFQWSA-N 399.516 -1.199 30 20 GAED C#CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 819702409 YUHWKRIPDUMVJR-SNVBAGLBSA-N 392.397 -1.174 30 20 GAED C#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1COC[C@@H]12 1205511078 VXSARAQLRFAPDZ-FXUDXRNXSA-N 388.468 -1.203 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783564726 KNKUVPZGAAPGEB-WBVHZDCISA-N 381.385 -2.445 30 20 GAED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnn1 1840044755 VSNBILXIAIGLNM-DYVFJYSZSA-N 391.384 -1.617 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 58869410 OZTKQAIVPOOGHM-UHFFFAOYSA-N 394.409 -1.031 30 20 GAED CS(=O)(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 574466357 XMVIVYQZSMZMTE-UHFFFAOYSA-N 396.472 -1.684 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCCNS(=O)(=O)c2cnn(C)c2)C1=O 744919708 ZUDGIRRUUAEYDU-UHFFFAOYSA-N 399.385 -1.782 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CNC1=O 960986665 IQGNLYTWJCKUSU-ZOBORPQBSA-N 392.412 -1.433 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 1588485912 AFHFIRKOVYCPMV-UHFFFAOYSA-N 394.475 -1.887 30 20 GAED CCNC(=S)NCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767948 ZZHXYJMRCPOFMU-INIZCTEOSA-N 383.474 -1.160 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076869 TVXQZOOPNUTBAT-DRMAHVMPSA-N 397.472 -1.243 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1840171938 IDSUYCYJHCNBCA-PXAZEXFGSA-N 380.401 -1.383 30 20 GAED CNC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C1 349500638 TWQWBKDORSGLJK-NSHDSACASA-N 381.480 -1.505 30 20 GAED CNS(=O)(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 378023032 DGUCLWDGLFZQOP-CYBMUJFWSA-N 386.455 -1.013 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(=O)NC2=O)CC1 518442912 DORXHMFEOBDNJF-UHFFFAOYSA-N 391.409 -1.057 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)C1=O 615945083 NFWHFVWDYGVDJS-JTQLQIEISA-N 387.418 -1.863 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1=O 726042042 CMIPWEJNDOMWMP-GHMZBOCLSA-N 394.384 -1.381 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1328816036 ORRCPCZVQAAAEJ-STQMWFEESA-N 377.463 -1.092 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3ccc(C#N)nc3)CC2)c(-c2nn[nH]n2)c1=O 1571152055 BYQRFXKGTPSQSV-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588505788 XLGIPOTUTKZUFY-OAHLLOKOSA-N 375.389 -1.175 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 1756998855 YOHVBAAQYKZSKI-LPWJVIDDSA-N 390.462 -2.339 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1791260874 YYSAFCVAZRZWMW-RHYQMDGZSA-N 384.458 -1.164 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631254 AKAFJNLAOURVEB-USRAEIGSSA-N 382.461 -1.240 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)N[C@@H](C)COC)c1=O 25522012 CPBKBJJPOKUTEI-NSHDSACASA-N 381.389 -1.596 30 20 GAED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)n(CCC#N)n1 562386136 DJRQTGVZRZOKDJ-UHFFFAOYSA-N 385.450 -1.008 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 848959034 VJSMVTCHEREMHR-WDEREUQCSA-N 380.448 -1.326 30 20 GAED C=C(C)COCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1117557606 HHBLGNXOMQAVBW-UHFFFAOYSA-N 396.444 -1.775 30 20 GAED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1129267027 VDOFHVOASFMRBH-BARDWOONSA-N 389.460 -1.177 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC(N)=O)C1 1130009625 YEDNAKZGZYHLLJ-NDBYEHHHSA-N 377.405 -1.594 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1573285699 LKPPYUSXMNRBKJ-HZSPNIEDSA-N 383.416 -1.580 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)CC1 1795412608 HWMSJAWJLJMQDA-MIFYACCESA-N 380.445 -1.834 30 20 GAED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831406480 RDFOVYOBUYWGKP-GOSISDBHSA-N 397.476 -1.091 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1cc[nH]n1 772281818 PIYZHGBDHIUYEJ-SNVBAGLBSA-N 387.418 -1.027 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1261176883 GJUWAAFHYLGIOS-UHFFFAOYSA-N 388.490 -1.628 30 20 GAED C=CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1319387131 ZBBGTNMLMBQSIT-VXGBXAGGSA-N 393.487 -1.326 30 20 GAED Cn1ncc2c(N3CCN(C(=O)C(=O)N4CC[C@](O)(CC#N)C4)CC3)ncnc21 1326512895 JZYDMPZRBQNKIA-GOSISDBHSA-N 398.427 -1.111 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1 1329131669 XUDNTILXSFPUPP-STQMWFEESA-N 385.442 -2.097 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354225 IWKAFGSEUIDLOW-GMXABZIVSA-N 382.384 -1.337 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1593330642 NDJXKUGDWILEGE-GXFFZTMASA-N 394.409 -1.021 30 20 GAED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)no1 1840041075 ONHBLFDCVOUQFV-KRWDZBQOSA-N 392.368 -1.535 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1840842608 PVPBQPUCGJBJBS-PKOBYXMFSA-N 395.456 -1.493 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 580450726 PHRNYJUIGOIPMM-NSHDSACASA-N 399.454 -1.113 30 20 GAED C=CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823919986 VSEMPVJMLFRXSC-JTQLQIEISA-N 393.429 -1.048 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760138 JEWVFSKSWJEPLY-JFILPPLUSA-N 394.428 -1.281 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1834767460 RHBGHIMBDHFKQR-KRWDZBQOSA-N 391.384 -1.069 30 20 GAED N#CCNC(=O)CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 511922335 ZMONPUSZWGHEHE-UHFFFAOYSA-N 388.432 -1.215 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)c1 595988085 NZHNQGKVALJWRM-HUUCEWRRSA-N 397.439 -1.628 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 820804290 PTQOCEAFCICCMG-JTQLQIEISA-N 380.376 -1.143 30 20 GAED O=C(N[C@@H]1CCCN(O)C1=O)c1cc(C(=O)N[C@@H]2CCCN(O)C2=O)[nH]n1 854649089 PURUZQJSBJHGFR-RKDXNWHRSA-N 380.361 -1.370 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCN1C(=O)CCC1=O 1346316163 MHYUZLWWGMFRRB-LBPRGKRZSA-N 399.411 -1.349 30 20 GAED C#C[C@@H](NC(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1)[C@@H]1CCCO1 1588330267 YKVNGSUIEGAKKG-NEPJUHHUSA-N 386.372 -1.124 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1829771225 MNCACKZTYBQOFO-SYCBYCMTSA-N 381.429 -1.318 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835413423 BTPAQLJXZLNUDB-GOSISDBHSA-N 393.396 -1.847 30 20 GAED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1836669382 PUHSFMDARAQIFY-SFHVURJKSA-N 379.461 -1.396 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 733150769 TZLVQOHKAYGMDU-MRXNPFEDSA-N 391.472 -1.603 30 20 GAED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1102359417 JJQMNRGSESAUQW-TUVASFSCSA-N 379.461 -1.054 30 20 GAED N#CCN1CCC(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 1117178496 KDYYUSHQBYFOBG-AWEZNQCLSA-N 378.477 -1.206 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1323712952 MUOLFUPJHHXSOO-LLVKDONJSA-N 381.476 -1.756 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1588352530 NJISKFNVJOMOSU-OCCSQVGLSA-N 385.432 -1.015 30 20 GAED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1602722510 VPJGQBYYPWRKED-SNVBAGLBSA-N 392.397 -1.174 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103905 DMBSAEYNVGXWKB-SUKBEPNOSA-N 383.449 -1.369 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835633426 QZZUGGDJGZFPLJ-QGZVFWFLSA-N 378.433 -1.413 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840044678 RAOUMLHBBQJGOD-SJKOYZFVSA-N 379.369 -2.333 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841054106 MCEHQCZSABYFFZ-PLNGDYQASA-N 389.412 -1.400 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1cccc(C#N)c1)C2 276084304 BHABHMFQIZSLQN-UHFFFAOYSA-N 397.395 -1.014 30 20 GAED O=C(CN1CCOCC1)N1CCN(/C(O)=N/C[C@H]2CCCS2(=O)=O)CC1 330165471 XAIFDJGYDUSVFC-CQSZACIVSA-N 388.490 -1.046 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 728571165 XCCQMYLZOFEGMM-UHFFFAOYSA-N 392.504 -2.414 30 20 GAED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1129262446 QCNIEEGISPIGMB-MROQNXINSA-N 390.404 -2.708 30 20 GAED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 1130009212 BYVVWEXKDNYLDZ-BARDWOONSA-N 389.460 -1.177 30 20 GAED N#C[C@@]12CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cn3)C[C@H]1CS(=O)(=O)C2 1606354919 XWDFHAGSLBCUFC-GWCFXTLKSA-N 395.426 -1.179 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781418289 DVRCGENANFRAAD-JXCVUKRWSA-N 388.428 -1.034 30 20 GAED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)CCC1 1785369307 HJHJWUPLSAKBHT-LJQANCHMSA-N 394.472 -1.203 30 20 GAED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788565913 RWWSGRMFZUFCOI-RFGFWPKPSA-N 394.428 -1.238 30 20 GAED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1795446236 PXOBHGSKTOBUHE-CCWDJLKJSA-N 392.456 -1.699 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225731 VPHHDLPSWRMEQE-KSSFIOAISA-N 391.428 -1.077 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 786897955 KVZAZYFEXQMWIR-UHFFFAOYSA-N 398.467 -1.085 30 20 GAED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1 1024389603 NTDHOQPUPMFPHV-VDHUWJSZSA-N 392.500 -1.261 30 20 GAED C=CCN1CC[C@@H](N2CC(O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O 1588654578 KFLWBEAPAPATPC-CYBMUJFWSA-N 386.416 -1.242 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1782013875 UCEWAENUOCAMAK-CXAGYDPISA-N 375.385 -1.120 30 20 GAED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785153327 CNJOIQZPVSWMFE-HTFCKZLJSA-N 384.458 -1.118 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1791078144 VEHFYYKKOSIXQZ-IHRRRGAJSA-N 375.385 -1.264 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1800779099 UHLXYWDOHSUUJR-KSPBDQMDSA-N 388.380 -1.208 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1831396604 GEZIDBGMKYHGHF-MAUKXSAKSA-N 384.429 -1.510 30 20 GAED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834856676 DMNAPZVTJWOCJP-QGZVFWFLSA-N 382.369 -1.516 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312270 VDJLTJWJOFMZNE-SJKOYZFVSA-N 379.369 -2.191 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1839711424 UMYNBQIDLIZWLN-CXAGYDPISA-N 391.384 -1.617 30 20 GAED C#CC(=O)N1CCCC12CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1845958209 GJPJXTPPQNMMJP-UHFFFAOYSA-N 384.396 -1.730 30 20 GAED N#Cc1cncc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 289867778 QQXFFLYAUSDBKR-UHFFFAOYSA-N 393.425 -1.355 30 20 GAED CNC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349494110 NNWURXTZNMORLV-LLVKDONJSA-N 393.491 -1.315 30 20 GAED C=CCN1CC[C@H](N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1=O 1602863361 VGXNUMXUGFHKQP-RDBSUJKOSA-N 386.416 -1.243 30 20 GAED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1791264407 LGTYSHSQEHNECJ-BJDJZHNGSA-N 387.458 -1.173 30 20 GAED CCCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777114 DMFXURWBDDDMRH-JRATXPSKSA-N 379.413 -1.031 30 20 GAED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042987 ARQOXXLUTPXPJJ-BEFAXECRSA-N 393.440 -1.127 30 20 GAED Cn1c(N2CCN(c3ncnc4c3cnn4C)CC2)c(C#N)c(=O)n(C)c1=O 23618913 HLMNIHKVVNOWGZ-UHFFFAOYSA-N 381.400 -1.041 30 20 GAED Cn1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(=O)n(C)c1=O 519109486 VWGXOOOKPXHNRK-UHFFFAOYSA-N 385.446 -1.679 30 20 GAED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 627459076 ZDBOMCRDRQPFBG-UHFFFAOYSA-N 398.441 -1.032 30 20 GAED C#CCNC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 748537313 YUVYJQAYAFWYSP-UHFFFAOYSA-N 379.398 -1.370 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](S(=O)(=O)NC)C2)c1=O 749795278 YAWAPFPFFFLEDF-GFCCVEGCSA-N 385.446 -1.875 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2CS(=O)(=O)NC)c1=O 749971440 IQYGUBABDJCXOG-ZDUSSCGKSA-N 399.473 -1.485 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 793741898 GPUZNPGQTLIPTL-UONOGXRCSA-N 386.474 -2.023 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1O 1023960343 GDNRIYMAENYTID-ZRJCITRHSA-N 392.412 -1.231 30 20 GAED C=C(C)COCCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1261164438 QIDACXLYZHXVLZ-UHFFFAOYSA-N 382.461 -1.302 30 20 GAED CCn1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cn1 1318431337 UAUMHSLRFATCAB-UHFFFAOYSA-N 392.466 -1.298 30 20 GAED C#CCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1588353099 GOFVPJJSPOLVRX-QWHCGFSZSA-N 375.414 -1.249 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785029825 NSCQQNDKJTVSFY-AVGNSLFASA-N 377.401 -1.178 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)CC1 1797801416 ISUBMRGLJXBFSW-HLPPOEQASA-N 378.429 -1.470 30 20 GAED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567245 FFTBCSPMKVGOTH-CJNGLKHVSA-N 387.506 -1.120 30 20 GAED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)C(=O)O 1835765918 HNFMWVITBSMUSZ-XHBSWPGZSA-N 389.474 -1.176 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1840840399 QLHASHLVVLURRC-ACJLOTCBSA-N 392.412 -1.546 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CCN(C(=O)[C@H](C)O)CC1)c1cc[nH]n1 276618051 QLFHSLJMZDVCBO-FXONDUCNSA-N 381.389 -1.255 30 20 GAED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CN(C)CCO1 589139137 QFZSRDKSYKJJAI-SMDDNHRTSA-N 377.449 -0.910 30 20 GAED Cn1cc(C(N)=O)cc1C(=O)NCC#CCNC(=O)c1cc(C(N)=O)cn1C 681339578 OFSJIHTXQQAAAX-UHFFFAOYSA-N 384.396 -1.275 30 20 GAED N#CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2ccc(-c3cnn[nH]3)cn2)C1 1577706822 VQNKGGLYGLTRFK-QGZVFWFLSA-N 384.400 -1.327 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 1588354469 NKTXBSXXTBGLEB-UHFFFAOYSA-N 390.429 -1.683 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829962 QIXXDAJHZAMIDY-JFILPPLUSA-N 394.428 -1.281 30 20 GAED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044638 PEPYLWOKOGKSKH-SJKOYZFVSA-N 381.385 -1.945 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 447919441 UYOWZCFAPORTCI-ZDUSSCGKSA-N 390.400 -1.523 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 1024444169 FEOGOPGRNGXTNV-NHIYQJMISA-N 393.444 -1.359 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1093053001 NRBSFONRPRZLEC-UPJWGTAASA-N 379.446 -1.030 30 20 GAED CC(C)(C(N)=O)N1CCN(CC#CCN2CCN(C(C)(C)C(N)=O)CC2)CC1 1321742559 GKHGOBQOSWAIMU-UHFFFAOYSA-N 392.548 -1.247 30 20 GAED C[C@H]1[C@@H](C)N(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[S@]1=O 1322693387 JXXCWGHKRIKRNA-NZPXXIEWSA-N 382.442 -1.003 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H]1CCCO1 1342892825 IBOPERGPJSUNTI-CABCVRRESA-N 389.412 -1.023 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952765 DGOTXHWJDAWEBN-RHYQMDGZSA-N 384.458 -1.164 30 20 GAED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1797785872 VJGSSLLVNXOXEA-FQLMCAECSA-N 381.385 -1.016 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)CC2)c1C#N 410867244 YBBPPVPMMNFCFZ-OLZOCXBDSA-N 392.460 -1.161 30 20 GAED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCC(=O)NCCO)n1 439254133 DFGSDHLAZVALRK-UHFFFAOYSA-N 390.787 -0.439 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)c1C#N 472274928 IQODGSAGMNNUOT-UHFFFAOYSA-N 380.474 -1.021 30 20 GAED CNS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 498574916 ZRNWCAITGDLGHV-UHFFFAOYSA-N 386.455 -1.060 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)OCC)CC1 728589555 HTCTVFYSVUPJFI-UHFFFAOYSA-N 397.457 -1.049 30 20 GAED C[C@](C#N)(CC(=O)O)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 819866256 UFHPDCVIVOEYSA-AMIZOPFISA-N 375.359 -1.453 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 829929572 RJOSHWDZXZDAQF-VXGBXAGGSA-N 381.414 -1.590 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1025089086 WMPYXGQQVWXFHU-SYQHCUMBSA-N 379.417 -1.831 30 20 GAED C#CCNC(=O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354245 KBALZJPGWZRHGH-LLVKDONJSA-N 388.388 -2.117 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793342832 VBXSPMPOKMMEHP-AYDFFVQHSA-N 377.445 -1.546 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)O 1831213023 JOAHDMVOMUWJDK-DNVCBOLYSA-N 393.440 -1.081 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)CC1 1835741232 KQVOYGOWAJGRGX-FZKQIMNGSA-N 393.444 -1.661 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837396373 BLFQKPAGEIPHRP-UGSOOPFHSA-N 397.476 -1.501 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1=O 298801732 NWUOSAQFQJRKAX-UHFFFAOYSA-N 391.384 -2.087 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 349529485 ZWPGDPUCWYADCS-NWDGAFQWSA-N 378.476 -1.108 30 20 GAED COC[C@@H](CNS(=O)(=O)N(C)CCC#N)NS(=O)(=O)N(C)CCC#N 445741221 JJGDGOOAHWXKRX-GFCCVEGCSA-N 396.495 -1.639 30 20 GAED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C)[C@@H]1CCCO1 848964335 OZVWUSBONNUXPR-NEPJUHHUSA-N 391.475 -1.531 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnc1O 1110462154 ZHJHVHZGVCYWJN-UTUOFQBUSA-N 377.405 -1.283 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(CCO)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588352650 RDWFDYLLLXRELS-ZDUSSCGKSA-N 385.432 -1.591 30 20 GAED C#CCNC(=O)CN1CCC[C@](CO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354381 LPNWXRGZSIEXDO-KRWDZBQOSA-N 386.416 -1.499 30 20 GAED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602727480 YPWXFSAZRUFQSW-LLVKDONJSA-N 375.389 -1.216 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1792484727 LOAWCYKGGDMWQR-BBHUDJRVSA-N 378.429 -1.430 30 20 GAED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1802021648 DLOVMSRVJRZNCM-QHBPRCKVSA-N 385.384 -1.571 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1829762377 ILSQIPLYRUJWLF-LIMHQNJXSA-N 383.401 -2.388 30 20 GAED CN(CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 573137362 LWYFJSDPWRGQRU-CHWSQXEVSA-N 387.439 -1.547 30 20 GAED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3ccc(F)cc32)c(=O)n(C)c1=O 771898510 ZBEICLUZEIHVTP-UHFFFAOYSA-N 381.345 -1.142 30 20 GAED CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111152362 UZSZITMXFCOERO-RQJABVFESA-N 378.433 -1.882 30 20 GAED NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1802163119 YYNIMZHSWLOMQZ-AHHGSBDBSA-N 380.449 -1.284 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832483300 WNBTXBXPSHMAMT-QGZVFWFLSA-N 380.401 -1.429 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1840840401 QLHASHLVVLURRC-SCLBCKFNSA-N 392.412 -1.546 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840897104 LMPYTCMAEAPMMU-INIZCTEOSA-N 397.478 -1.064 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2cccnc2)C1=O 533464145 DIDJAOKPWUBDJT-UHFFFAOYSA-N 395.397 -1.547 30 20 GAED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1cn(C)cn1 535027235 OYTGTDSTZZFZIV-UHFFFAOYSA-N 380.434 -1.033 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 965982350 FZKNCSJRXBMZOS-MQYQWHSLSA-N 392.412 -2.174 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC(O)(CO)CC1 1261618353 HTUJZEVCFDYRMA-ZDUSSCGKSA-N 388.428 -1.269 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 1324753828 VSTQHGGXUDAGLF-LBPRGKRZSA-N 376.431 -1.258 30 20 GAED C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353954 BYDUEBNUHWOXHY-SNVBAGLBSA-N 384.400 -1.089 30 20 GAED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1786858325 PTIMXJUHRUZRLG-IHRRRGAJSA-N 393.492 -1.269 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800523713 OFMAGYMWJNQSFA-HGTKMLMNSA-N 391.472 -1.006 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1835756844 PDAGYGHWPRHZIG-SCLBCKFNSA-N 394.428 -1.191 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1839101166 FRBSKQMGDBYQHB-LPHOPBHVSA-N 393.488 -1.008 30 20 GAED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839643726 LVDUOLUCOMTNND-RDTXWAMCSA-N 381.429 -1.129 30 20 GAED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)n1 595982097 REXJQYATXVNWFL-HUUCEWRRSA-N 397.439 -1.628 30 20 GAED CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 600031964 IYVVAUDBBFQBES-UHFFFAOYSA-N 389.397 -1.163 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 600764486 RAWRSZDSKPHPMO-STQMWFEESA-N 375.428 -1.443 30 20 GAED C#CCNC(=O)C1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 747816581 JHOWLANBVICNAJ-UHFFFAOYSA-N 377.489 -1.320 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CS(N)(=O)=O)c1cc[nH]n1 772278121 OYCVCFVACVAMOG-SNVBAGLBSA-N 387.418 -1.027 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@H]1CCCO1 1323586344 ATYYHQSHIYDGKI-HUUCEWRRSA-N 390.440 -1.423 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797621899 PIQGHRILPJHXIP-NFFDBFGFSA-N 390.444 -1.053 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800258886 HBDPWZNPSGDOFK-GUIRCDHDSA-N 397.428 -1.290 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802159925 ODFXBCWPZDBSCK-DABQJJPHSA-N 380.449 -1.474 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839808488 RNRQVMSIONXNBT-MAUKXSAKSA-N 396.396 -1.429 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 268268832 GWYLFJUYDDWOGP-NSHDSACASA-N 398.427 -1.279 30 20 GAED CS(=O)(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 573013911 KVRMSFBJQDUXCX-GFCCVEGCSA-N 386.455 -1.013 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 1118183192 DNEOGBOKQWXUHO-GOSISDBHSA-N 377.445 -1.370 30 20 GAED N#CCSCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1318002736 SYOKOKMEYDRYBJ-NSHDSACASA-N 381.501 -1.096 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O 1776215331 IZBCPQUWKAYKCG-SNVBAGLBSA-N 387.418 -1.206 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)CC1 1835346852 XJYFMOUFVULDRK-ACJLOTCBSA-N 376.413 -1.117 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)C(=O)O 1835354036 LCXIAOPFTCWKQP-CXAGYDPISA-N 382.417 -1.191 30 20 GAED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)C(=O)C(=O)O 1835362219 GUQBTGUKRPNQDV-QGZVFWFLSA-N 396.400 -1.710 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1839704269 HJMAYVHSDBHEBM-KRWDZBQOSA-N 383.401 -1.438 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)CNC1=O 268839876 VIEXVPJNIVWAGR-JTQLQIEISA-N 379.398 -1.107 30 20 GAED CS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 552529597 UURCZITUYIOTFM-UHFFFAOYSA-N 386.455 -1.060 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CCN(C)CC2)CC1 892871291 UTBMHIZKLRLFSV-OAHLLOKOSA-N 386.522 -1.583 30 20 GAED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1150005301 FTBXXHPLUVVTTO-NBOOPKSLSA-N 379.457 -1.006 30 20 GAED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1332851020 WWKGLOYLMWBACZ-QGZVFWFLSA-N 385.472 -1.036 30 20 GAED N#C[C@]12CN(C(=O)NCCOCCOCC(=O)O)C[C@H]1CS(=O)(=O)C2 1605591030 ULRMYWDTSPQDTH-SMDDNHRTSA-N 375.403 -1.316 30 20 GAED NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777983 OMJLULYRCYDFSW-DDFAGTSDSA-N 387.352 -2.133 30 20 GAED CC(=O)N1CCN(/C(=N/CCNS(C)(=O)=O)NCC(=O)N(C)C)CC1 262265867 FWAVLVOCBLDBII-UHFFFAOYSA-N 376.483 -2.267 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(CCC(N)=O)n2)cc1 574849049 FYXKJZUWMOPKFZ-UHFFFAOYSA-N 376.398 -0.453 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 595990245 WAWPWLFMWXXDLY-UONOGXRCSA-N 392.460 -2.797 30 20 GAED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N2CCNC2=O)c1=O 600603992 BCRITMZKOXBLMU-UHFFFAOYSA-N 377.357 -1.225 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 761028395 HAUROQMYSPDSHQ-UHFFFAOYSA-N 398.445 -3.066 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)NS(=O)(=O)CC2(C#N)CC2)n(C)c1=O 793195165 HGZMIEJLOPOZRB-UHFFFAOYSA-N 380.386 -1.817 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H](C)COC 1261624482 WWDAUGBSMUSTHX-CYBMUJFWSA-N 376.479 -1.014 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1322215173 FFSSRSORJAVVIS-UHFFFAOYSA-N 393.469 -1.132 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)nn1 1345711005 PSIQDFUYSUPOCC-UHFFFAOYSA-N 391.432 -1.323 30 20 GAED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044636 PEPYLWOKOGKSKH-PXAZEXFGSA-N 381.385 -1.945 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793947831 WDDTZIXWQRJIRO-QOBXEIRBSA-N 378.341 -2.738 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840041369 JKGZLZNYEYUNSD-GOSISDBHSA-N 380.397 -1.043 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921336 RVCWFDKHQYNGAX-DYVFJYSZSA-N 399.448 -1.088 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccccc2-c2nn[nH]n2)c(=O)n(C)c1=O 826362451 SOBJIPYOEQKQLT-UHFFFAOYSA-N 390.385 -1.424 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1117219752 KQLXIJXUHVFRMS-CQSZACIVSA-N 390.444 -1.051 30 20 GAED C[C@@H]1CN2CCN1C[C@H]2C(=O)NCC#CCNC(=O)[C@H]1CN2CCN1C[C@H]2C 1346531193 MZXBUZHDPCKWNG-TVFCKZIOSA-N 388.516 -2.001 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793342302 CKIHJOQTGAIWQI-JAAXMTQOSA-N 381.429 -1.323 30 20 GAED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1840159638 JHPOSQGITPOQDR-MQIPJXDCSA-N 388.490 -1.646 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920800 MJCHBHXMFZJELQ-UGSOOPFHSA-N 398.460 -1.316 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)C1=O 488289349 FKMZIBBMOBWXAT-ZJUUUORDSA-N 382.373 -1.464 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 815378252 XABQGMZDSFPLIR-UHFFFAOYSA-N 383.408 -1.124 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 847436325 JYBUNRZRSKVOCQ-UHFFFAOYSA-N 380.445 -1.138 30 20 GAED Cc1cnn(C)c1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 1323519860 NPVOZYMNOINMRF-UHFFFAOYSA-N 392.466 -1.472 30 20 GAED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C2)n1 1577719539 VKFMTTAYLDCUEI-QLFBSQMISA-N 383.416 -1.203 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791349227 CPGQIIPYAZLVHY-RFGFWPKPSA-N 377.397 -1.420 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793354751 OLXLEHJUKVMMJR-WHPHWUKISA-N 394.428 -1.235 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837503964 ZMBMDOIRABHLOQ-QAPCUYQASA-N 396.396 -1.429 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837729744 KWIDHAXJHAJVIH-RHSMWYFYSA-N 382.417 -1.492 30 20 GAED CNC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C1 349499872 SBZYFPKQVOLWHL-QWRGUYRKSA-N 381.480 -1.459 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1=O 726042043 CMIPWEJNDOMWMP-MNOVXSKESA-N 394.384 -1.381 30 20 GAED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 820451559 VWJQEOKZTWIXRG-LURJTMIESA-N 391.377 -1.500 30 20 GAED C/N=C(/NCCN1CCOCC1)NCCS(=O)(=O)N1CCSCC1 849099736 JOVLPVNLKQRELD-UHFFFAOYSA-N 379.552 -1.138 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)nn1 963311149 XRYYZYPYLVUKBW-CZXHOFHRSA-N 376.417 -1.333 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CCOCCN 1118962211 ITCUUBSWIIAVCO-ZDUSSCGKSA-N 375.433 -1.181 30 20 GAED C#CC[C@@H](CCOC)NC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602697858 UHTHWBVIAYFBSB-JTQLQIEISA-N 376.377 -1.143 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1795728354 KXLFRVVUPPDKMU-GNXNZQSNSA-N 397.395 -1.075 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834609119 GGMKKRMQEATMGE-SFHVURJKSA-N 390.348 -1.202 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835313668 ONTJIMVTNDKWSQ-KHYOSLBOSA-N 393.440 -1.240 30 20 GAED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1)C(=O)O 1835765915 HNFMWVITBSMUSZ-HWWQOWPSSA-N 389.474 -1.176 30 20 GAED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnc1 1840039764 HGWDFRGMXLZPSL-KDOFPFPSSA-N 390.396 -1.012 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840044444 XGRAWNVCPONQKL-KRWDZBQOSA-N 391.384 -1.787 30 20 GAED C/C(=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)O 1840044947 IZEFGFYDRLAYTH-UEOUDEGLSA-N 380.353 -1.438 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCO1 409540857 JYDCIOVFCYRZLY-CQSZACIVSA-N 387.462 -2.068 30 20 GAED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746447115 SOFKUQAMCNRHHO-UHFFFAOYSA-N 398.445 -1.144 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 964695222 VXOFEIWOZJHCTA-OPDFLTKYSA-N 392.416 -1.954 30 20 GAED C#CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1130237781 DMUKIOMLJNLUHQ-FQUUOJAGSA-N 390.444 -1.061 30 20 GAED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1329446342 BAOZKLSADFUWIB-ACJLOTCBSA-N 377.445 -1.325 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013482 PTPWKEWXCFMVHW-QWHCGFSZSA-N 376.417 -1.044 30 20 GAED N#CCSCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O 1592679646 XNLJEYPLZFYYED-ZJUUUORDSA-N 375.418 -1.031 30 20 GAED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1766945614 QJCMYHQDCNQBRS-RYUDHWBXSA-N 397.461 -1.151 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831394151 XQZQGELEKCKLQC-RHSMWYFYSA-N 392.416 -1.832 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840041530 SAOHSYYQGPVRQS-QGZVFWFLSA-N 390.352 -1.660 30 20 GAED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 367574102 GMWOCFIOUGBLJB-CYBMUJFWSA-N 397.461 -1.014 30 20 GAED C=C(Br)CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 793744434 QXYZPOBOOSFKPA-UHFFFAOYSA-N 397.295 -1.295 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1321229543 CTWRAHUBCZVWCC-NEPJUHHUSA-N 380.492 -1.004 30 20 GAED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCO1 1324665589 CGGWZCNXVLXJTE-ULQDDVLXSA-N 378.473 -1.194 30 20 GAED CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594636210 GQLURFGGMOAFND-UHFFFAOYSA-N 380.473 -0.457 30 20 GAED Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219822196 HMSWXOWENHEEBV-HGTKMLMNSA-N 390.444 -1.311 30 20 GAED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329383859 SEBHXZFGQDBBFL-KGLIPLIRSA-N 383.474 -1.275 30 20 GAED Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783563851 CMQSGXAQCPYAAL-MRXNPFEDSA-N 376.373 -1.763 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1791078031 RGSAEWJYLRLWNL-RFGFWPKPSA-N 377.397 -1.420 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1792489786 SJLNQNSAVCDLKI-NLLTUHKPSA-N 378.429 -1.431 30 20 GAED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777161 ISIVNIJNJMXCHZ-MCYUEQNJSA-N 380.401 -1.628 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076611 UWRIPPADLQDTQJ-DEYYWGMASA-N 380.445 -1.285 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)CCC1 1840922164 BINVFRLSZDZDIK-KRWDZBQOSA-N 379.417 -1.195 30 20 GAED Cn1ccnc1N1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC1 349466597 QSWADOUUFMDMQG-UHFFFAOYSA-N 390.491 -1.295 30 20 GAED CNC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C1 349488536 DXFQFSKWHRGWOJ-CYBMUJFWSA-N 380.492 -1.051 30 20 GAED CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](CN)C1 580413288 CKKNKNWQUKTFFR-DLBZAZTESA-N 398.467 -1.123 30 20 GAED CCNC(=O)CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1116045439 VTLKLLFVRXHDGX-FOCLMDBBSA-N 378.433 -1.024 30 20 GAED C=C(CNC(=O)[C@@H]1CCCS1(=O)=O)CNC(=O)[C@@H]1CCCS1(=O)=O 1261756426 IRGQOBCMKIDWTQ-RYUDHWBXSA-N 378.472 -1.071 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1326749623 KFHOYGCICWDTRO-UHFFFAOYSA-N 393.469 -1.361 30 20 GAED C#CCO[C@@H](C)C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588356047 RVHGRFGVBCGBJS-NSHDSACASA-N 387.400 -1.074 30 20 GAED N#C[C@H](C(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)N1CCS(=O)(=O)CC1 1592666355 YSVYOAYGXJNUAJ-SNVBAGLBSA-N 375.370 -1.159 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381991 RGAVTRVVWJLUCS-JONQDZQNSA-N 376.457 -1.028 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793342547 JSPKSAOUZYCVHI-XYFZXANASA-N 380.445 -1.793 30 20 GAED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349532555 CSEDYIIFAIZKOF-QJPTWQEYSA-N 399.516 -1.674 30 20 GAED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)nc1 596002030 QLZCZBLIRZOMHG-RBSFLKMASA-N 398.423 -1.297 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC1 747907711 RRHMXRVYYXIINY-UHFFFAOYSA-N 388.490 -1.776 30 20 GAED N#Cc1cnccc1N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1054788256 SYPUEJKBSRLORS-PAPYEOQZSA-N 389.437 -1.111 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCS(C)(=O)=O 1322316315 QOKMTGSKTUITRN-LBPRGKRZSA-N 394.457 -1.064 30 20 GAED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573287443 CAKPHLFJJXBRCL-QGZVFWFLSA-N 387.400 -1.072 30 20 GAED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 1776202057 WGASXVCEPZSIFK-CHWSQXEVSA-N 390.418 -1.911 30 20 GAED NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1802163133 ZLVVSDHJLTZPKX-PHJQXLAESA-N 397.432 -1.227 30 20 GAED CNC(=O)[C@H]1CN(C(=O)C(=O)NCCn2cnc(C#N)n2)c2ccccc2O1 508351362 VTIPEXWWABALRM-CYBMUJFWSA-N 383.368 -1.194 30 20 GAED CS(=O)(=O)N1CC(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589491951 ZHPPNCASABUOGB-UHFFFAOYSA-N 386.455 -1.156 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920605922 VBSOUBRUZOWDSK-UHFFFAOYSA-N 377.357 -1.256 30 20 GAED C#CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094659784 PWYCLIMUAQELBN-LJISPDSOSA-N 383.470 -1.435 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1593339368 NDVIHRGAZDPVOV-GXFFZTMASA-N 394.409 -1.021 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 1757015340 HSBOLQZASOYJDH-SYQHCUMBSA-N 392.412 -1.794 30 20 GAED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1769380250 NZVAMOWAHGRYBI-GFCCVEGCSA-N 397.461 -1.322 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793355709 MJHIYZQMWKWAEL-HAFSJTIUSA-N 382.461 -1.240 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839237715 AGQFBBKRWYMLGK-INIZCTEOSA-N 377.357 -2.178 30 20 GAED N=C(N)SCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041476 OLMFDCQRLHVGSK-MRXNPFEDSA-N 398.441 -1.452 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041956 RRLJTYMWUFISOR-YVEFUNNKSA-N 396.400 -2.876 30 20 GAED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1588353434 SAQJWBGXZVXIMY-ZLKJLUDKSA-N 386.416 -1.238 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1783562136 FQRYPBRXRFVKJB-GOSISDBHSA-N 399.363 -1.034 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N 1795535257 IXJXVWOLZMRQIN-OAILTHCBSA-N 378.433 -2.083 30 20 GAED C/N=C(/NCC(=O)N(C)C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 262279503 ITBMQZUNDJOKGM-ZDUSSCGKSA-N 375.495 -1.224 30 20 GAED C=CCNC(=O)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 271955576 CPNDDRXAHLVEPV-UHFFFAOYSA-N 380.426 -1.098 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C(N)=O)CC1 349499812 KTMYBWQJKGIZBL-SNVBAGLBSA-N 396.516 -1.415 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1O 1023957893 CYQBPPPKQJAWLF-DBIOUOCHSA-N 379.373 -1.435 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1220377665 JGLRYXXLJVTKII-BHPKHCPMSA-N 390.444 -1.303 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 1588354190 HMJBODNCXAYZLC-UHFFFAOYSA-N 393.429 -1.095 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631687 YCZCJUNSYHORCR-KRWDZBQOSA-N 382.417 -1.006 30 20 GAED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1794251603 NAAXAAPFKXQWHK-CLLJXQQHSA-N 398.423 -1.295 30 20 GAED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 497509906 NWZKGUIAFJDELV-UHFFFAOYSA-N 386.522 -1.142 30 20 GAED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 806916245 VSJYMJUGZVOYRM-UHFFFAOYSA-N 396.425 -1.259 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1OC 946818797 OBQRYRGEQLWLAQ-APIJFGDWSA-N 393.444 -1.177 30 20 GAED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 1025695430 AUOZWLMJDJMXHW-YLFCFFPRSA-N 390.484 -1.256 30 20 GAED N#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)n2)O1 1130809139 ISPDRWIXDVYGLB-NNYUYHANSA-N 377.405 -1.213 30 20 GAED N#CC1(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CCOCC1 1136949188 MPJITTZGBSAEKG-AWEZNQCLSA-N 398.485 -1.246 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793355292 CDDIYWFFTPQXKM-XYFZXANASA-N 382.461 -1.240 30 20 GAED Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 424609112 CEKJYKLXHDIGIC-WDEREUQCSA-N 376.464 -1.020 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC(O)(CO)CC1 1261618352 HTUJZEVCFDYRMA-CYBMUJFWSA-N 388.428 -1.269 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351160 HCDULVQBRRRAKJ-JSGCOSHPSA-N 386.416 -1.501 30 20 GAED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1797785874 VJGSSLLVNXOXEA-HLPPOEQASA-N 381.385 -1.016 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831433104 POVWIIRLACVCOC-PASDCYSWSA-N 397.472 -1.243 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066208 UUQAYMVRSIEIKN-YOEHRIQHSA-N 379.505 -1.118 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCO1 409598097 XBQCTXLVHPZQFL-GFCCVEGCSA-N 380.430 -1.228 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1129106752 PVQUIXSOUDMFBK-FTBKSCEHSA-N 384.440 -1.208 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1792491373 QNLQRNVYRQYYOE-OAILTHCBSA-N 379.417 -1.897 30 20 GAED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833236348 JHSQEMDXHLPYDR-INIZCTEOSA-N 377.357 -2.027 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840041344 HLPCVRFAUVDOMG-SFHVURJKSA-N 393.396 -1.847 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H](NC(C)=O)C2)c1=O 298811966 ZNBRDJZAMNYPTR-AWEZNQCLSA-N 391.428 -1.329 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)C1=O 368851652 ZKQDPNMYANOJNY-ZDUSSCGKSA-N 391.428 -1.272 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(N)(=O)=O)ccc2O)C1=O 536740053 XHQARGYKCJBUMQ-UHFFFAOYSA-N 382.354 -1.045 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 968576198 GZNKWSLXOFPFLG-MQYQWHSLSA-N 392.412 -1.382 30 20 GAED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 1130007668 PXZNMFMCTSCOQO-ZOBORPQBSA-N 391.432 -2.045 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CCN1Cc1ccccc1 1326644900 UYZHXUGYZZYSFX-HNNXBMFYSA-N 398.423 -1.109 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 1348978506 LZOZWRBDHOHBPC-UHFFFAOYSA-N 375.429 -1.352 30 20 GAED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573287442 CAKPHLFJJXBRCL-KRWDZBQOSA-N 387.400 -1.072 30 20 GAED CC(C)N(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043914 BLLPENDKMVQYNQ-GOSISDBHSA-N 381.429 -1.129 30 20 GAED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 528038344 MJSJCNAGAYUMEE-SNVBAGLBSA-N 382.402 -1.579 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1024993257 NLKIVHPPJIBZSE-ZRJCITRHSA-N 392.412 -1.231 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1109934249 WOMISJUZLOJZHW-CRWXNKLISA-N 375.429 -1.212 30 20 GAED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118248812 CHUVTWGNSVRVFR-SFHVURJKSA-N 379.461 -1.124 30 20 GAED C#CCCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1323646348 WXZGHBVOJJDTQQ-UHFFFAOYSA-N 378.429 -1.564 30 20 GAED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)CC(=O)NCc1cnn[nH]1)C2 1575110442 PTVFWEMSSIGVBB-LBPRGKRZSA-N 392.416 -1.500 30 20 GAED CN(CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)C(=O)O 1782754834 XVBJLUJZOSKIIQ-INIZCTEOSA-N 381.341 -2.553 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1793342613 UNXZPYBQCXJKJN-XLMAVXFVSA-N 379.457 -1.054 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837204901 MIUQLDPFLQSDKF-RHSMWYFYSA-N 398.416 -1.189 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839807909 JFYAPZMUUVAUSE-IBGZPJMESA-N 392.456 -1.760 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840041724 DRLGIMCKGYUMFQ-QGZVFWFLSA-N 376.369 -1.503 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1840175230 IFGRXVIDMRMJRN-SFHVURJKSA-N 385.461 -1.695 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)CC1 513544859 AERBYADKCBXEBD-UHFFFAOYSA-N 385.490 -1.057 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)OCC)CC1 728590194 WBUZDYWCGIOYRH-UHFFFAOYSA-N 383.430 -1.358 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](CC(=O)OC)C2)c1=O 751954779 PYQQUMSICZHKRA-CYBMUJFWSA-N 380.401 -1.235 30 20 GAED C#CCNC(=O)COC(=O)/C=C(\Br)C(=O)OCC(=O)NCC#C 764576177 MICOCATYYRASLN-YFHOEESVSA-N 385.170 -1.150 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1=O 793567397 KSZNOYVWJZDFOI-CYBMUJFWSA-N 399.473 -1.533 30 20 GAED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1cc[nH]n1 846403577 GNSVYVDVPUTQTE-JTQLQIEISA-N 387.418 -1.156 30 20 GAED C#CCOCCC(=O)N1CCC(O)(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588359846 YYHOKNYJKTWCPJ-UHFFFAOYSA-N 386.416 -1.116 30 20 GAED C#CCNC(=O)CN1CCN(c2ccc(C(=O)OC)nc2-c2nn[nH]n2)CC1 1602722187 FRXZXMBNNYXTRO-UHFFFAOYSA-N 384.400 -1.080 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796288872 DTTHBFIITFTNCD-QHBPRCKVSA-N 399.363 -1.274 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840041343 HLPCVRFAUVDOMG-GOSISDBHSA-N 393.396 -1.847 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cn1 275468224 IALVYVRETRMGEA-ZIAGYGMSSA-N 386.455 -1.271 30 20 GAED CN(C[C@@H](O)CN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291182248 BZNIODGZVHEDRM-OAHLLOKOSA-N 396.469 -1.012 30 20 GAED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)n1 595982099 REXJQYATXVNWFL-LSDHHAIUSA-N 397.439 -1.628 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)CC1 758203724 GNZNZKOUTMCNTG-UHFFFAOYSA-N 380.474 -1.213 30 20 GAED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920408868 JQKYMYIWWOCRPV-CHWSQXEVSA-N 377.488 -1.741 30 20 GAED CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2n2ccnn2)CCN1C 1129004255 NRPPUGRLMRTHQF-JJXSEGSLSA-N 388.476 -1.010 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1129060917 XYOORPUWZZQFNC-XOUADPBQSA-N 382.428 -1.104 30 20 GAED C=CCNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(CC(=O)OC(C)(C)C)c1=O 1588658812 ULGDXVLRLQRBBN-UHFFFAOYSA-N 391.388 -1.166 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 1602721406 IGHZNXGEAOJBQG-AWEZNQCLSA-N 385.432 -1.013 30 20 GAED O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1784950404 IVDJGJHIGKJTSZ-KKUMJFAQSA-N 388.424 -1.069 30 20 GAED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834572691 SFPIVMCUMHMOHF-UHFFFAOYSA-N 399.469 -1.309 30 20 GAED CN1CCN(C)[C@H](C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 329427293 HHGHXYQZSBWQTE-MRXNPFEDSA-N 382.509 -1.377 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 490883845 CELICVWYFVYOKL-GXFFZTMASA-N 391.409 -1.012 30 20 GAED O=C(NCC#CCNC(=O)c1ccc2nnnn2c1)c1ccc2nnnn2c1 681341031 SHTGGLWVALMOEE-UHFFFAOYSA-N 376.340 -1.275 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 779548739 HRPXECXEXGKAHT-UHFFFAOYSA-N 388.409 -1.014 30 20 GAED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1 1093030276 VIEQDQDIAATCSA-UPJWGTAASA-N 379.446 -1.064 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 1193085744 LQDPKFIZFNKXKA-GBJTYRQASA-N 381.477 -1.110 30 20 GAED C[C@H](C(=O)NCC#CCNC(=O)[C@@H](C)N1CCN(C)CC1)N1CCN(C)CC1 1320967662 MHFOKKKIIMJHAG-QZTJIDSGSA-N 392.548 -1.506 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCc2c(nnn2C)C1 1326715349 AKISZCOBVZZCIG-LLVKDONJSA-N 390.491 -1.233 30 20 GAED C=CCN(CCOC)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1327177518 RJDGBMPFAVBGSV-UHFFFAOYSA-N 380.445 -1.059 30 20 GAED C=C(CNC(=O)CS(=O)(=O)C1CC1)CNC(=O)CS(=O)(=O)C1CC1 1328511916 LAXRCOURJJHJKD-UHFFFAOYSA-N 378.472 -1.071 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)nn1 1588711644 VFIFRCWSVXNJTH-SNVBAGLBSA-N 385.392 -1.021 30 20 GAED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602722405 PWUVEEVAUKOEMM-UHFFFAOYSA-N 378.370 -1.562 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788497962 CUNSYHQYZPDRRX-MJVUOBLBSA-N 389.408 -1.111 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791648807 UPMHJIMCODHDIR-IHRRRGAJSA-N 375.385 -1.264 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831388536 URMJHNODIZBYJY-KBXCAEBGSA-N 381.429 -1.383 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)CC1 1839078713 ZSEXALIHJUKYNS-DEYYWGMASA-N 378.429 -1.531 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)n1cnnn1 1840475942 PEFSVNXSYVNXCH-XJKSGUPXSA-N 377.405 -1.006 30 20 GAED CC(C)CN1CCO[C@H](C/N=C(/O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 330152461 MAXSLYVDGKFXJJ-HUUCEWRRSA-N 381.477 -1.058 30 20 GAED N#Cc1ccc(CNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1116428843 YWCIRUAWTZCDFM-SJORKVTESA-N 392.481 -1.050 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1194880917 GGIKMGSUEYRMGF-RGCMKSIDSA-N 390.444 -1.303 30 20 GAED C[C@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 1575823838 VBPCIZCPLPAYSF-JSGCOSHPSA-N 379.421 -1.443 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567477 RHYFAJZRKQKVHI-IAGOWNOFSA-N 382.369 -1.480 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117878 RMTXSIOGTKWJNV-KRWDZBQOSA-N 375.337 -2.171 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)N3CCCC3)C2)C1 1839807646 IPRFGAWTWKQWEX-QGZVFWFLSA-N 399.469 -1.498 30 20 GAED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 594629819 HCRVUUBBJILCIX-ZDUSSCGKSA-N 375.428 -1.082 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](OC)C1 946851564 BQOSGKGRNAKYBC-FVCCEPFGSA-N 380.401 -1.529 30 20 GAED N#CCN1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 1321734583 NVEGZTIYDZFIDW-UHFFFAOYSA-N 389.460 -1.008 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1791259728 DZIOKSQLNQIMPG-IIRVCBMXSA-N 384.458 -1.118 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1831401509 AYKZKJTWUDUOCZ-KDOFPFPSSA-N 397.428 -1.163 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388377 PFXJJFWZMMWDFN-KDOFPFPSSA-N 397.428 -1.081 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(N)=O)CC1 268810987 DVULUXSRVJVVQJ-LBPRGKRZSA-N 379.442 -1.145 30 20 GAED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 970613273 KNTIKWUXDKSLFG-FXUDXRNXSA-N 392.456 -1.948 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O 1257126600 NCHHOWRBZJRKIV-CYBMUJFWSA-N 386.474 -1.228 30 20 GAED C#CCOCCNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1323471048 WNDAGYLAGMTTRL-UHFFFAOYSA-N 396.444 -1.052 30 20 GAED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 1606344892 BIGOYVYEFTUAFX-LLVKDONJSA-N 377.386 -1.104 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836139545 PDCBWHHIVYUIHI-MRXNPFEDSA-N 377.357 -2.178 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837204899 MIUQLDPFLQSDKF-PBHICJAKSA-N 398.416 -1.189 30 20 GAED N=C(N)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837845177 RWOMCLMAWDLWIW-UHFFFAOYSA-N 379.417 -1.444 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1842921155 PFNFLXHBEDLDCC-UHFFFAOYSA-N 395.504 -1.242 30 20 GAED C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 267356526 KQOLFUICRMXZPC-UHFFFAOYSA-N 397.395 -1.005 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CC(=O)N2CCOCC2)c1=O 732179953 ITMZUBIODMTBBV-UHFFFAOYSA-N 379.417 -1.708 30 20 GAED C[C@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)N1CCOCC1 1341865180 JTVNJIHKQSYACL-UBQVSUSGSA-N 393.444 -1.146 30 20 GAED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1515114469 NNWRXHAQMQOQON-NSHDSACASA-N 379.460 -1.376 30 20 GAED N#CCNC(=O)CN1CC2(C[C@@H](NC(=O)CCOCc3cnn[nH]3)CO2)C1 1577706742 RQAMLXOURCSLBV-GFCCVEGCSA-N 377.405 -1.689 30 20 GAED CCC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802038016 NYSJUXFJEXAYNG-LOUJCGABSA-N 379.413 -1.031 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831402768 QYNFZSIRVJECJI-GUYCJALGSA-N 382.417 -1.851 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837515463 VPPYVQGITJETGY-DOTOQJQBSA-N 382.417 -1.993 30 20 GAED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600766118 GMBGEMWEOMCAHW-WOPDTQHZSA-N 399.516 -1.986 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)N[C@@H](C)COC)CC1 761029410 OZQROXFDZALSKN-LBPRGKRZSA-N 375.451 -2.068 30 20 GAED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959973 WXYUBLJHCKBOGW-LBPRGKRZSA-N 380.492 -1.004 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 969056633 PWGMKWQLMHXRMY-XEZLXBQYSA-N 388.384 -1.690 30 20 GAED Cn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)cn1 1219821092 AIVPPNIAYGHUIT-AIANPOQGSA-N 390.444 -1.311 30 20 GAED N#C[C@@H](C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)N1CCS(=O)(=O)CC1 1341820843 JGNWTYNWAITJLS-XQQFMLRXSA-N 393.421 -1.097 30 20 GAED C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779226723 YNQKHKLABYYCKT-SUMWQHHRSA-N 375.385 -1.168 30 20 GAED COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1831384143 ZGJRDZPWDCYDMJ-SFHVURJKSA-N 380.397 -1.043 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCNS(=O)(=O)CC)c1cc[nH]n1 277752924 CNWCELCNYHPFCP-LDADJPATSA-N 375.407 -1.251 30 20 GAED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 409538577 WVNNQMAWGUFARU-ZDUSSCGKSA-N 387.462 -1.674 30 20 GAED Cc1onc(CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C#N 498506549 BAQXABNTIUWIFL-UHFFFAOYSA-N 375.385 -1.073 30 20 GAED O=C1CS(=O)(=O)C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)N1 1005048272 ZZNMFUCVEPWYFR-MQYQWHSLSA-N 379.438 -1.439 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CCN1Cc1ccccc1 1326644901 UYZHXUGYZZYSFX-OAHLLOKOSA-N 398.423 -1.109 30 20 GAED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588361466 NNYDPOFBCJDPEL-QGZVFWFLSA-N 387.400 -1.072 30 20 GAED O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)=NN1 1797681769 CRUIHJZTQGRIRQ-WKHJEXAOSA-N 390.444 -1.076 30 20 GAED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H](O)N1CCOCC1 1797801011 OYOOGDFCNCHRPC-LORHWOILSA-N 377.441 -1.360 30 20 GAED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1220347088 HOARTQJKWKILBQ-FXUDXRNXSA-N 392.456 -1.933 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)C1=O 1319328648 OBBRTVCFTSXZCA-UHFFFAOYSA-N 377.357 -1.494 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)CCO1 1326716941 ZILGPFQUXJFCHE-AAEUAGOBSA-N 386.430 -1.147 30 20 GAED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)CC(=O)NCc3cnn[nH]3)C2)CC1 1575176311 FQKAFSDOFRHAQC-GFCCVEGCSA-N 388.432 -1.674 30 20 GAED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588361465 NNYDPOFBCJDPEL-KRWDZBQOSA-N 387.400 -1.072 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1 1601062055 DOVQDKXCAJBRTI-IAGOWNOFSA-N 380.401 -1.749 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)C(=O)O 1835354041 LCXIAOPFTCWKQP-SUMWQHHRSA-N 382.417 -1.191 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)O 1835756916 QSTKJSCMHQQLHX-SUMWQHHRSA-N 382.417 -1.191 30 20 GAED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041296 DAFJFPZXRGLEPU-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041502 QHWAIOCWXLNSAT-OWQGQXMQSA-N 381.429 -1.096 30 20 GAED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)nn1CCC#N 429915344 AQPLLIRJDAKEEK-UHFFFAOYSA-N 385.450 -1.008 30 20 GAED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cn1 460709367 UQUYGVNHYTZWSY-UHFFFAOYSA-N 383.368 -1.259 30 20 GAED COCCOCCN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601500650 BYGLYORGMNAZEK-UHFFFAOYSA-N 381.477 -1.149 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]21 960984959 YBNAPQAEPGCDLD-FXUDXRNXSA-N 393.440 -1.126 30 20 GAED C=CCn1c(O)nnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1257261062 LECVDDNNXYIMSE-VHSXEESVSA-N 392.459 -1.023 30 20 GAED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1327022229 OKRPKJUMFHIMPV-KSSFIOAISA-N 379.461 -1.078 30 20 GAED C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2cnn[nH]2)cn1 1575004259 BYFNOEGBTMBKLU-AWEZNQCLSA-N 385.428 -1.019 30 20 GAED C#CCOCCC(=O)N1CCOC2(C1)CN([C@@H](C)C(=O)NCc1cnn[nH]1)C2 1575014254 ZIASDQLTASMJNX-AWEZNQCLSA-N 390.444 -1.238 30 20 GAED CS(=O)(=O)N1CCN(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1580163961 HKZRKJXNQLHJGZ-UHFFFAOYSA-N 378.422 -1.483 30 20 GAED CCN(CC)S(=O)(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1635790539 ZOMKWGMTTMFGRJ-UHFFFAOYSA-N 398.445 -1.449 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)CC1 1786699298 LKJIROYPOTYDLI-JYJNAYRXSA-N 394.472 -1.444 30 20 GAED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)C(=O)C(=O)O 1790634334 PXAAXURKCRIKHX-AVGNSLFASA-N 380.401 -1.187 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837515620 XTDVMHLNCQCPME-FUHWJXTLSA-N 396.444 -1.603 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCCCS(N)(=O)=O)c1cc[nH]n1 294430580 OSMWZEYLGUUKOO-LDADJPATSA-N 375.407 -1.122 30 20 GAED CNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 556693733 NFWMEHSEOKAZHZ-UHFFFAOYSA-N 379.442 -1.273 30 20 GAED C#CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039640 WBLQMTWDUGHBST-LLVKDONJSA-N 379.394 -1.021 30 20 GAED COC(=O)[C@@H](C)n1cccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 774585684 KMIORVGAYANRGZ-SNVBAGLBSA-N 397.413 -1.068 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1 843792947 XMAURZQOQABOLM-LBPRGKRZSA-N 377.386 -1.050 30 20 GAED C[C@@H](C(=O)NCC#CCNC(=O)[C@H](C)N1CCN(C)CC1)N1CCN(C)CC1 1320967663 MHFOKKKIIMJHAG-ROUUACIJSA-N 392.548 -1.506 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)CN2CCCC2=O)cc1 1327135713 UMQDVALVLRGJKV-CYBMUJFWSA-N 380.426 -1.064 30 20 GAED N#CCNC(=O)CNC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1592677272 ANGUBGXATDDXMU-CYBMUJFWSA-N 397.399 -1.093 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114767 ONTJIMVTNDKWSQ-YZVOILCLSA-N 393.440 -1.240 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835397359 ICNNDUPIKSGYKH-SFHVURJKSA-N 395.412 -2.137 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835748944 BLUQURUUTIFTHW-PXAZEXFGSA-N 396.400 -2.876 30 20 GAED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261803947 RSKFEBQPTBVRNC-RDTXWAMCSA-N 377.493 -1.128 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)OC)CC(OC)OC)C1=O 273130730 BLMGUHNJEXMFKG-UHFFFAOYSA-N 385.373 -1.026 30 20 GAED C=CCOC[C@@H](NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)C(=O)OC 481749996 OUEKDBXXOANVCI-GFCCVEGCSA-N 378.385 -1.101 30 20 GAED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(N)=O 727161220 RYQFJMUKKLSSOD-UHFFFAOYSA-N 388.453 -1.452 30 20 GAED NS(=O)(=O)CCOCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 819788015 RHXXNZLKIPVLFC-UHFFFAOYSA-N 390.443 -1.854 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(CNC(=O)O2)C1 848956174 MHWXFOVFKJPVTR-UHFFFAOYSA-N 386.411 -1.029 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779316349 COJCPRSEOWTWHK-CXAGYDPISA-N 381.385 -1.945 30 20 GAED CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(=O)C(=O)O 1782745289 LOKUJWFSXKMAFF-QGZVFWFLSA-N 380.401 -1.091 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1791077035 WUOZBJPGELPGJL-IHRRRGAJSA-N 393.396 -1.104 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793341003 IMOBAMGWGPLWFP-AYDFFVQHSA-N 380.445 -1.115 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795532533 SBKPZWHQNYAZPI-RGHULWKBSA-N 396.488 -1.258 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840042400 SPGBBYVXPGQNHS-SFHVURJKSA-N 389.364 -1.055 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349489652 FPLNMPYJQRIWKW-RYUDHWBXSA-N 393.491 -1.411 30 20 GAED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CC(=O)N1C 349505421 WEIWVAAKGMVBQX-LBPRGKRZSA-N 391.475 -1.452 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1 580329200 PACCMAGAHIKJRR-CYBMUJFWSA-N 375.428 -1.082 30 20 GAED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 595989317 SGCVHBJZPKFMIX-CABCVRRESA-N 397.439 -1.628 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 598767445 KDCJTIMOKPUOLQ-OLZOCXBDSA-N 387.439 -1.235 30 20 GAED C#C[C@@H](NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@H]1CCCO1 1322861649 KDNUDGSZHYWQIH-HUUCEWRRSA-N 385.486 -1.091 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1323714253 VVWAMGIURQYETC-UHFFFAOYSA-N 386.474 -1.874 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 1588353868 ABODXHLKGNFULO-LBPRGKRZSA-N 386.420 -1.697 30 20 GAED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOCCOCCOC)C2 1800454872 MGPFTRGAVXEVAW-HGKCTWBKSA-N 398.456 -1.095 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1835353940 HQPLWSIXCAZHKG-DYVFJYSZSA-N 381.433 -1.661 30 20 GAED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)N(C)C2)c1C#N 349465024 OCLYBYOGVQVZHR-UHFFFAOYSA-N 390.447 -1.217 30 20 GAED N#C[C@H]1COCCN1CC(=O)N1CCN(C(=O)CN2CCOC[C@H]2C#N)CC1 440732173 MCCOWRNGDKEFQT-IYBDPMFKSA-N 390.444 -1.894 30 20 GAED CNS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 516584206 RMSUXOANTWSVKJ-UHFFFAOYSA-N 396.472 -1.684 30 20 GAED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 1109306122 UAERBFKKLLSFPM-RNJOBUHISA-N 375.433 -1.211 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 1193866758 SJDDKTKJXNXEQG-KCYZZUKISA-N 389.456 -1.202 30 20 GAED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C 1318789121 BKBSPWJWBLOHTC-UHFFFAOYSA-N 391.453 -1.445 30 20 GAED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1786857839 GNEFCXAFBHHJOT-AJNGGQMLSA-N 380.493 -1.466 30 20 GAED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1833093543 ADWQDRHVHBUBRL-GOSISDBHSA-N 390.396 -1.264 30 20 GAED CCNC(=S)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767950 ZZHXYJMRCPOFMU-MRXNPFEDSA-N 383.474 -1.160 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)CCC1 1835577410 VRYUMUWRJIVHSZ-KRWDZBQOSA-N 378.433 -1.380 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 409522821 YSZVXEWGLVPNLP-NSHDSACASA-N 375.432 -1.581 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCNCC3)CC2)cc1 423049410 XKHOJSXRZYWASS-UHFFFAOYSA-N 391.453 -1.177 30 20 GAED N#Cc1cncc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 583350542 GIZJZXZGCBDQRE-UHFFFAOYSA-N 391.409 -1.065 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CC(=O)NCCOC)c2)C1=O 607582673 BMADXZONZNOKAD-UHFFFAOYSA-N 392.372 -1.439 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cncc(C(=O)OC)c2)CC1 788617312 FKIGBZNLIAFSDS-UHFFFAOYSA-N 380.426 -1.076 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(CC(=O)O)c2)CC1 825618896 HHOFJBNGTQFFQB-UHFFFAOYSA-N 383.430 -1.587 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 855472580 ZANDRXVCOMUNKA-WDEREUQCSA-N 387.439 -1.347 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1025088753 LXXWALZGZMWOLR-NHIYQJMISA-N 393.444 -1.441 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)C1=O 1323157747 GDKKNURBAOXVBF-QGHHPUGFSA-N 391.384 -1.058 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840326687 RYSQGGCSUCWRDS-SFHVURJKSA-N 390.396 -1.113 30 20 GAED CS(=O)(=O)N1CCN(CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 619708031 RQPRSODRHXYFAI-LBPRGKRZSA-N 381.480 -2.378 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2O)nn1 1023922586 XKUFIBKBBRJYIG-QVHKTLOISA-N 390.444 -1.120 30 20 GAED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(=O)Cn2cncn2)cn1 1092847208 ARAIFYMTYDBRBN-RDBSUJKOSA-N 381.400 -1.018 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1111322180 VACRCMNBGSTTCH-WVZRYYJFSA-N 382.486 -1.071 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389095 MAMXDIJFVWESND-OAHLLOKOSA-N 377.313 -1.151 30 20 GAED CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044578 MJFDOPGFJUCLSG-KSSFIOAISA-N 381.429 -1.129 30 20 GAED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841599729 JWZCSNBALGIAHE-LLVKDONJSA-N 385.384 -1.332 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 298168622 NTSJASAIWXKPIT-ZDUSSCGKSA-N 381.433 -1.610 30 20 GAED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 499742712 BAWMPGZDPKSYRS-CQSZACIVSA-N 389.478 -1.822 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1189110485 PVQXJWQLSCPTGU-RFQIPJPRSA-N 393.444 -1.436 30 20 GAED CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 1330715112 XCJIZBLYGDFCDY-GFCCVEGCSA-N 375.389 -1.022 30 20 GAED C#CCNC(=O)CN1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588354434 MWHFTKNEAYFJFM-UHFFFAOYSA-N 385.432 -1.708 30 20 GAED N#Cc1ncc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1-c1nn[nH]n1 1606397723 XKSMEZILYPKIJB-UHFFFAOYSA-N 398.387 -1.964 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347196 CPGMLLOZLANSAX-YFKFIEJBSA-N 376.325 -1.821 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835356550 CXIAMXOSVHRQEN-PBHICJAKSA-N 398.416 -1.189 30 20 GAED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041906 OSLPXQWYQDDYSE-MRXNPFEDSA-N 377.357 -1.729 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)C1=O 297882683 OZVOHNSNKVJAJF-HNNXBMFYSA-N 393.488 -1.100 30 20 GAED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2C)CC1 502054715 DHDWSPSKJQGLDP-UHFFFAOYSA-N 386.481 -1.153 30 20 GAED C=CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 1319387129 ZBBGTNMLMBQSIT-NWDGAFQWSA-N 393.487 -1.326 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1783531190 GERWWSVEBIIWAX-YBVPMBIDSA-N 395.456 -1.167 30 20 GAED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787270975 LHAHEFSTFGNRGM-GVXVVHGQSA-N 387.400 -1.018 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)CC1 1835342657 IAJUAVPQVPKPKR-SCLBCKFNSA-N 393.444 -1.661 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)CCC1 1839081234 YNOOPGWHDIFJHW-DOXZYTNZSA-N 392.456 -1.141 30 20 GAED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)no1 1840041076 ONHBLFDCVOUQFV-QGZVFWFLSA-N 392.368 -1.535 30 20 GAED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1840041673 BIGUZVZKZLUXHF-KRWDZBQOSA-N 392.368 -1.535 30 20 GAED CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349528258 XGFRLBMTPFDAMJ-LBPRGKRZSA-N 378.476 -1.108 30 20 GAED C=C(CNC(=O)[C@@H]1CN2CCN1C[C@@H]2C)CNC(=O)[C@H]1CN2CCN1C[C@H]2C 1263864721 MAURTSHPWHIOHE-USTZCAOPSA-N 390.532 -1.448 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cccc(C(=O)O)c2=O)CC1 1602725631 DMMVSVLIJNWZAQ-UHFFFAOYSA-N 382.398 -1.842 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1783567685 WKPCNPNVGJJHSO-QGZVFWFLSA-N 375.337 -2.171 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785154888 SOFSFXGBIGIZPW-RVMXOQNASA-N 377.401 -1.132 30 20 GAED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1786366184 JPODVWIHESTCKF-NHCYSSNCSA-N 386.372 -1.680 30 20 GAED C[C@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 420005465 PLDOGNLEVAEEFI-GFCCVEGCSA-N 379.442 -1.145 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC1 848071080 WWNIAMVLSUBQBD-CQSZACIVSA-N 379.461 -1.714 30 20 GAED C#CCNC(=O)CN1CC(N2CCN(C(=O)CCOCc3cnn[nH]3)CC2)C1 1575005253 YNRNZWAPIQZLNW-UHFFFAOYSA-N 389.460 -1.711 30 20 GAED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041800 ITCHCPKEYYMGET-SFHVURJKSA-N 390.396 -1.264 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840160114 XHZJUKIMVAQXCX-BFQNTYOBSA-N 388.490 -1.646 30 20 GAED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 275907140 KEPBPQZELAPFME-LBPRGKRZSA-N 388.355 -1.055 30 20 GAED C#CCNC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1 732912508 PQHIMGMDXLNABY-UHFFFAOYSA-N 385.424 -1.048 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 831560708 FFSZISYYRRXMJE-AWEZNQCLSA-N 385.490 -1.992 30 20 GAED CN1C[C@@H](C(=O)O)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1598565737 ZRQHLSIPHUPEQA-JTQLQIEISA-N 380.382 -1.521 30 20 GAED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1778354536 OCPPIYDHGGIELT-GOSISDBHSA-N 377.445 -1.106 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796573870 KAUJIROFKFAAHH-ILWJIGKKSA-N 385.340 -1.848 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836207026 ZMOBYWKJJUCUPH-MAUKXSAKSA-N 391.428 -1.227 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837204903 MIUQLDPFLQSDKF-WMLDXEAASA-N 398.416 -1.189 30 20 GAED CCS(=O)(=O)NCCN/C(=N/C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262519917 DOHBAOAJSGIYCO-ZDUSSCGKSA-N 375.495 -1.176 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCO1 425228288 HFPBHJSMPCXISW-LLVKDONJSA-N 390.447 -1.815 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc(O)c(C(=O)O)c2)c(=O)n(C)c1=O 777444166 RXWFXGCKBQUTKL-UHFFFAOYSA-N 382.354 -1.200 30 20 GAED C#CCN=c1nc(N2CC[C@@H](CC(N)=O)C2)[nH]c(N2CC[C@H](CC(N)=O)C2)n1 808122128 LKYISAICYRQZDA-BETUJISGSA-N 386.460 -1.258 30 20 GAED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959837 ROCAWDARTQHUCW-UHFFFAOYSA-N 377.448 -1.793 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1O 1025710199 BZRMQESABFNZJS-TUVASFSCSA-N 376.413 -1.169 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2nnc(O)nc2O)C[C@H]1O 1025712018 DDMXASKIPVMGQR-JHEVNIALSA-N 393.400 -1.506 30 20 GAED N#CCN1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 1318324525 WACUHMFNMNKBDV-UHFFFAOYSA-N 390.444 -1.023 30 20 GAED C#CCOCCNC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1324586526 YNKCATUFVHTCHM-CYBMUJFWSA-N 375.447 -1.643 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1783557292 KAFOURWFGAGXIS-INIZCTEOSA-N 391.340 -1.291 30 20 GAED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1812877522 KDRDPEKBRJGLMH-LDDOYCOJSA-N 386.408 -1.102 30 20 GAED NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664768 OGXGYTLOVUISGY-RKDXNWHRSA-N 393.425 -1.264 30 20 GAED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)c1 1838904576 NELRBAHVGJGFDT-SFHVURJKSA-N 375.381 -1.061 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1840840400 QLHASHLVVLURRC-FZKQIMNGSA-N 392.412 -1.546 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCC(=O)O)CC2)cc1 420601416 PZAYUHFAVXQMPV-UHFFFAOYSA-N 394.409 -1.018 30 20 GAED NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@H]3CCN(O)C3=O)CC2=O)c1 820178775 ATJASXVJZWAGCN-SKDRFNHKSA-N 382.398 -1.207 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 831574340 DUTSUBQCZLRELL-GFCCVEGCSA-N 398.407 -1.139 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1116260541 WVJCRXQGVUJJEP-PFONDFGASA-N 385.446 -1.794 30 20 GAED N#Cc1cn(CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c(=O)nc1O 1629977915 MCICCTWXZPGSKA-CQSZACIVSA-N 377.401 -1.230 30 20 GAED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1838664615 RENTZTOZNZIZPE-KRWDZBQOSA-N 376.369 -1.124 30 20 GAED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 289399891 NAUKPTXZPWCVDM-UHFFFAOYSA-N 396.444 -1.775 30 20 GAED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 538169796 FMONUWMCDRDARQ-SNVBAGLBSA-N 375.385 -1.129 30 20 GAED COc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1S(N)(=O)=O 570719277 QDMIUDIXGTWXDE-LLVKDONJSA-N 390.443 -1.099 30 20 GAED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 804958592 DQCUERVUWLWLOZ-ZDUSSCGKSA-N 398.528 -1.136 30 20 GAED COCCN1[C@H]2CC[C@H]1CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 814883140 BOWGVUVPPVVYTI-STQMWFEESA-N 399.473 -1.009 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 1588351415 SXUWSMPSPHLHGF-OCCSQVGLSA-N 385.432 -1.048 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1797708089 CUDLCWGREIQKCL-JTTNIQEDSA-N 396.488 -1.258 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)CC1 1835343053 YLVHFDUIRPUQMX-SCLBCKFNSA-N 393.444 -1.661 30 20 GAED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349527351 VNLRJCQUKDTTTA-NSHDSACASA-N 378.476 -1.156 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC2CCN(C(C)=O)CC2)c1=O 506786596 QFZIXFOSKXYNHJ-UHFFFAOYSA-N 391.428 -1.329 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)C1=O 582602379 CQAUOFXOJALPJJ-CYBMUJFWSA-N 391.428 -1.226 30 20 GAED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 735433128 ZTWKSTJNULNRHD-UHFFFAOYSA-N 392.445 -1.130 30 20 GAED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1130237948 LLZPYTCDHBTXDY-RVMXOQNASA-N 376.417 -1.451 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784479469 CIDLNZVSJGXNLS-QXKUPLGCSA-N 394.472 -1.403 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1O 1025709605 RLFVKLBYQRRDAW-JHEVNIALSA-N 388.384 -1.690 30 20 GAED C=C(C)COCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1323892690 WROCKHNYQIJHPZ-UHFFFAOYSA-N 394.432 -1.816 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832701662 LOEPHSMMHRLXKW-ACJLOTCBSA-N 392.412 -1.546 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1834760674 GWIMAIPMHFHHKR-INIZCTEOSA-N 377.405 -1.310 30 20 GAED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)cc1 1838950774 DBBKYTOXRWHONZ-LPHOPBHVSA-N 387.440 -1.086 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 1329348974 GYOCYEQEXPDDAK-OKJFVAPWSA-N 386.408 -1.213 30 20 GAED C#CCNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353608 YPYTYERGZBWENQ-AAEUAGOBSA-N 386.416 -1.237 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831387457 IFAQDLMWYJAVEF-SUNYJGFJSA-N 395.412 -1.411 30 20 GAED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1832930964 UBOAWOLQVZFKKX-QGZVFWFLSA-N 392.368 -1.535 30 20 GAED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039648 BQRLIKQPJRSECU-SJKOYZFVSA-N 381.385 -1.958 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnn1 1840044754 VSNBILXIAIGLNM-CXAGYDPISA-N 391.384 -1.617 30 20 GAED C/N=C(/NCCC(=O)N1CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 261800554 RRNSYKBHVOXTIL-UHFFFAOYSA-N 377.449 -1.107 30 20 GAED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1=O 603460279 SPRNJSIZQGTRJH-UHFFFAOYSA-N 390.444 -1.522 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)NS(=O)(=O)CC(C)(C)C#N)n(C)c1=O 776138696 KEXBJRITKOWBRD-UHFFFAOYSA-N 382.402 -1.571 30 20 GAED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)[nH]1 1116359438 USCFLHHRJZSGLS-CYBMUJFWSA-N 379.442 -1.053 30 20 GAED N#Cc1ccc([C@H](C(N)=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1319638232 VNZMPUXCKNRCAF-HRCADAONSA-N 378.454 -1.140 30 20 GAED C=CC1CCN(C(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 1328397315 GMMIFFFRIIUTLH-UHFFFAOYSA-N 390.444 -1.100 30 20 GAED C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575180027 YXWDUYHRGVQOAZ-NILFDRSVSA-N 375.433 -1.136 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588713456 LPBPNZGUNBBMNV-YPMHNXCESA-N 398.387 -1.412 30 20 GAED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786974715 MNWQTRUVWHGAAA-GVXVVHGQSA-N 385.384 -1.075 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1791078032 RGSAEWJYLRLWNL-XUXIUFHCSA-N 377.397 -1.420 30 20 GAED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773888 LCVSGEZLBRPGBS-MCYUEQNJSA-N 386.426 -1.655 30 20 GAED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800984043 GJCUGBSPCDJBQV-XHSYRHOGSA-N 392.441 -1.061 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1834756051 KNTNGGCFNIOEGS-ZBEGNZNMSA-N 379.373 -2.045 30 20 GAED NS(=O)(=O)[C@H]1CCCN(CC#CCN2CCC[C@H](S(N)(=O)=O)C2)C1 367464280 RGZSDNRQCRLZLG-KBPBESRZSA-N 378.520 -1.504 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1=O 519404384 JZRUDRSYEAHRQC-UHFFFAOYSA-N 399.429 -2.591 30 20 GAED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCNCC1 726869587 TXFLUSOCXZFTNR-UHFFFAOYSA-N 379.442 -1.337 30 20 GAED O=C(/C=C\CN1CCOCC1)NCC#CCNC(=O)/C=C/CN1CCOCC1 867318131 MWXKYGJRAIVMOF-CIIODKQPSA-N 390.484 -1.001 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 872515096 FNSJRNPFUXHOBU-UHFFFAOYSA-N 393.409 -1.020 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCN(O)C1=O 1575409187 DMPQVHXCEKRCQZ-GZMMTYOYSA-N 395.401 -1.360 30 20 GAED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793947547 TYUSHCXLIXOMRQ-OQMKEHIESA-N 376.413 -1.022 30 20 GAED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796107954 HXOWIKBZPTUJSM-WDAIWFPHSA-N 386.372 -1.680 30 20 GAED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 292339105 OMOYQLZRDGDISZ-DZGCQCFKSA-N 391.432 -1.559 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCO1 409590529 CSISNSPTDOHYLH-ZDUSSCGKSA-N 380.430 -1.228 30 20 GAED C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)OC 481784129 HBBHYNMECIMSBR-AGIUHOORSA-N 388.442 -1.118 30 20 GAED CCOC(=O)CON=C(C(=O)NCC1CN(S(C)(=O)=O)C1)c1cc[nH]n1 772614742 JROQMXFIKYSZCZ-UHFFFAOYSA-N 387.418 -1.299 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1OC 946818341 FSVUIBUALLBJSC-YIYPIFLZSA-N 379.413 -1.028 30 20 GAED CN(CCC#N)C(=O)CCN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1191755267 ZJODXJMHJGZQFI-OAHLLOKOSA-N 399.517 -1.331 30 20 GAED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1320305565 YTDSRTZLKDWFAH-NEPJUHHUSA-N 378.472 -1.261 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 1341183022 RONLMCKQPZXVCS-HZPDHXFCSA-N 376.457 -1.046 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1349337468 XGTXRFNUBWZBGM-GOSISDBHSA-N 391.428 -1.843 30 20 GAED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1575823840 VBPCIZCPLPAYSF-TZMCWYRMSA-N 379.421 -1.443 30 20 GAED Cc1nsc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C(=O)O 1776052194 NUXUQFRBIUMZDG-UHFFFAOYSA-N 387.399 -1.140 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1791262347 ZXVANNBSDODTJP-BLDNINTCSA-N 387.502 -1.065 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837397116 MTGUMDZWMPFMRK-IYOUNJFTSA-N 384.477 -1.698 30 20 GAED COCCOCCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 593928587 QECJJDWTFMHPKN-UHFFFAOYSA-N 381.477 -1.102 30 20 GAED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)n1 595982095 REXJQYATXVNWFL-GJZGRUSLSA-N 397.439 -1.628 30 20 GAED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](C)C(=O)NCC#C)O1 850142106 MAEIFCQETUKUNB-SYQHCUMBSA-N 378.381 -1.104 30 20 GAED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 968410744 HNTNOGBJNRWITK-LUYZLQTOSA-N 392.460 -1.125 30 20 GAED C=C(CNC(=O)[C@H]1CCCS1(=O)=O)CNC(=O)[C@H]1CCCS1(=O)=O 1261756428 IRGQOBCMKIDWTQ-VXGBXAGGSA-N 378.472 -1.071 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)CC1 1327401997 NQLJQCZHHYNHEC-HUUCEWRRSA-N 392.456 -1.274 30 20 GAED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NCc2cnn[nH]2)C[C@H]1O 1575072964 MKBYEZSDBPLXGT-CPUCHLNUSA-N 380.449 -1.189 30 20 GAED C#CCNC(=O)CN1CCC[C@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1754855300 MSKRUOHGQUQYSY-BVYOLEPJSA-N 379.457 -1.270 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781243774 XSCBHWWSBVDBNY-SYCBYCMTSA-N 378.429 -1.191 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830967981 BTXGVNLSWMBYRB-SFHVURJKSA-N 388.380 -1.437 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557237 CBSNGKRCODGLSQ-SCLBCKFNSA-N 395.460 -1.415 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839223820 ALESADBHTFZFKZ-CXAGYDPISA-N 398.464 -1.273 30 20 GAED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CCN2C1=O 1335586014 XVWAAYYWTRGBAS-KGLIPLIRSA-N 388.428 -1.320 30 20 GAED CN1CC(=O)N(CC(=O)NCC#CCNC(=O)CN2C(=O)CN(C)C2=O)C1=O 1342894125 OGIUOZCDYQZQBD-UHFFFAOYSA-N 392.372 -2.990 30 20 GAED COCc1noc(CN2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)n1 1349345055 WARTWDLSRUNPRN-QGZVFWFLSA-N 392.416 -1.263 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839429 GWSWAOFVLQASEI-VGWMRTNUSA-N 391.472 -1.156 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641240 KEVCEARLUMGAFU-USRAEIGSSA-N 381.429 -1.323 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797801609 VLCPFVALMNQFIG-NAHJCDBISA-N 395.456 -1.735 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801554598 MMAXSHWMHTZFPP-FKJOCPDWSA-N 376.457 -1.004 30 20 GAED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042988 ARQOXXLUTPXPJJ-DNVCBOLYSA-N 393.440 -1.127 30 20 GAED CCN(CCC#N)S(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 410422321 OJCCVCNYJGKOEG-UHFFFAOYSA-N 385.450 -1.571 30 20 GAED Cn1c(=O)nc(O)c2cc(S(=O)(=O)NCCn3cnc(C#N)n3)cnc21 511424747 HYDOZPHQYPSUOZ-UHFFFAOYSA-N 376.358 -1.524 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H](C)S(N)(=O)=O 542877030 JYTPKBIMYORPSW-QWRGUYRKSA-N 395.445 -1.821 30 20 GAED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 843461106 SDGGAUVLEXZJOM-GYSYKLTISA-N 377.426 -1.085 30 20 GAED C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)N[C@H](C#C)[C@@H]1CCCO1)[C@H]1CCCO1 847759488 UZKKTIQYYFLZFW-SYMSYNOKSA-N 396.465 -1.005 30 20 GAED COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1117608852 GSARUBHUDYNJOV-NSHDSACASA-N 387.400 -1.048 30 20 GAED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1196145178 HDVXNSWFCYTZQB-APIJFGDWSA-N 382.461 -1.395 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC(O)(CO)CC3)CC2)c1C#N 1350236840 DAWXTZJYNVAOHS-UHFFFAOYSA-N 390.444 -1.405 30 20 GAED COCC#CCN1CC(N2C[C@H](NC(=O)[C@H](C)OCc3cnn[nH]3)CC2=O)C1 1576951978 DAVWJVNUZTYKGS-UONOGXRCSA-N 390.444 -1.239 30 20 GAED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579008518 XYCOWPUCTGTIDO-QMMMGPOBSA-N 377.390 -1.732 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588357166 IUCMUQGZCJSURI-NSHDSACASA-N 387.400 -1.074 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 1592672070 WPLZDIBQOSJSOI-JTQLQIEISA-N 379.406 -1.268 30 20 GAED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 1602722480 UEZJBMCFZMJGIG-LERXQTSPSA-N 386.416 -1.238 30 20 GAED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010267 GEGYTONIWNTVGY-MLGOLLRUSA-N 386.426 -1.367 30 20 GAED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075783 ZJDOKYYXXGEKOD-IHRRRGAJSA-N 379.413 -1.174 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840418 SVLQWKUSFPBWLI-KBXCAEBGSA-N 391.428 -1.077 30 20 GAED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835750355 VKEVDOAUGLYVAP-KXBFYZLASA-N 394.472 -1.161 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=N)N)C3)C2)CCC1 1840812660 CWSXSTHLSJQUKC-QGZVFWFLSA-N 378.433 -1.380 30 20 GAED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n(C)[nH]1 349505885 UANVFQCEZKNQFG-LBPRGKRZSA-N 394.454 -1.055 30 20 GAED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(N)=O 524282834 NPSBHTYFVSPEMF-UHFFFAOYSA-N 388.453 -1.596 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3ncn(C)c3=O)CC2)o1 781262728 FQYLFGXXGCYGFX-UHFFFAOYSA-N 389.372 -1.358 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 827993125 SHOOQWAAJHRUMI-UHFFFAOYSA-N 391.515 -1.021 30 20 GAED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)n1 1328228389 MXWTYZRUXRAHFS-KBPBESRZSA-N 382.442 -1.207 30 20 GAED C#CCN(C(=O)[C@H]1CCC(=O)N1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574928550 QCWMXMMJWXIPJB-OAHLLOKOSA-N 387.444 -1.374 30 20 GAED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793284070 UARGXJASTAWEFR-YWVIFJGQSA-N 379.461 -1.006 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347790 OPFIUWRSZKAHST-SUMWQHHRSA-N 377.401 -1.087 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839807407 YKXBKWXKKDKKFY-LJQANCHMSA-N 386.408 -1.099 30 20 GAED C#CC(=O)N1CC2(CCCN2C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 1841985234 JZESDELTKCRXIZ-UHFFFAOYSA-N 384.396 -1.730 30 20 GAED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)Cn1cnc(C#N)n1 820788427 GXAAMFUCXBXDPA-JTQLQIEISA-N 380.376 -1.143 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 892818127 IUDDSYORQXDUBD-GJZGRUSLSA-N 385.490 -1.356 30 20 GAED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1323421937 UCVLLNNVCWHRSG-CCEZHUSRSA-N 389.412 -1.290 30 20 GAED C#CCO[C@@H](C)C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1602727585 PYHQWHBOLAFKFC-ZDUSSCGKSA-N 385.432 -1.067 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793340815 OQWCNWULOVMOQN-NFFDBFGFSA-N 392.412 -1.834 30 20 GAED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2CCN(S(C)(=O)=O)CC2)CC1 329581349 LGSRMTUEGRRXBY-UHFFFAOYSA-N 389.478 -1.442 30 20 GAED C#CCN1CCN(C(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 748816155 CXHZURHLYYOHPY-JKSUJKDBSA-N 384.502 -2.149 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1108482101 RYGNLPLHAHPJAF-MROQNXINSA-N 382.442 -2.833 30 20 GAED CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109849495 UZSZITMXFCOERO-RFGFWPKPSA-N 378.433 -1.882 30 20 GAED CN(CCC#N)C(=O)CCN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1191755266 ZJODXJMHJGZQFI-HNNXBMFYSA-N 399.517 -1.331 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)C(=O)CC(=O)NCc2cnn[nH]2)C1 1575013833 UUORSGWKWQCFGJ-OCCSQVGLSA-N 376.417 -1.091 30 20 GAED C#CCNC(=O)CN1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CCO2 1588354433 MVTHBFBWLJAZFQ-UHFFFAOYSA-N 384.400 -1.529 30 20 GAED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787521995 PRLLNNKZMDDUTN-MXAVVETBSA-N 379.413 -1.079 30 20 GAED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@H](O)C1 349466201 QFCBAURSYLYJCE-GFCCVEGCSA-N 380.448 -1.922 30 20 GAED CNS(=O)(=O)NC1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 431592033 KKYCPIQQTQEVKO-UHFFFAOYSA-N 383.496 -1.389 30 20 GAED C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C 795324457 OBSLXHIHYMPGNH-LLVKDONJSA-N 396.425 -1.027 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 1025660460 NIVQYDIXVWWFAA-LPWJVIDDSA-N 380.401 -1.793 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1118183254 GKJGVNUSCGKWQV-QGZVFWFLSA-N 379.417 -1.540 30 20 GAED Cc1c(C#N)c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c(=O)n1C 1644133830 OIXOHFAAIRLWHZ-UHFFFAOYSA-N 383.430 -1.733 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2 1783562124 DQPGVUOODHSLNQ-INIZCTEOSA-N 376.325 -1.581 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790908702 YZKCYZVEBMIATL-JYJNAYRXSA-N 382.461 -1.444 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1800773348 MRWWMPMNOIJJPH-JIXVBMEVSA-N 378.341 -2.738 30 20 GAED Cn1nccc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c1cn(CC(N)=O)nn1 1111458456 AGWZSJGACPZPQO-SFTQSGBHSA-N 375.433 -1.211 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@H]1CCCO1 1117580097 AXUOYFOJIPYZJO-ZIAGYGMSSA-N 380.426 -1.227 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 1573285637 KAIAVASSYRACIC-ZWNOBZJWSA-N 384.400 -1.089 30 20 GAED C#CCCN1CCC(N(Cc2cnn[nH]2)C(=O)CNS(=O)(=O)NC)CC1 1574883424 VRTVWMXIEYAQGR-UHFFFAOYSA-N 383.478 -1.325 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C2)C1 1839808426 ZUAMTTUVDGYDNZ-CJBNDPTMSA-N 394.453 -1.122 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)c1C#N 590986101 UBTJHJGSWJBITH-LBPRGKRZSA-N 387.444 -1.014 30 20 GAED C#CCN=c1nc(N2C[C@H](C)O[C@H](CO)C2)[nH]c(N2C[C@H](C)O[C@@H](CO)C2)n1 804646017 KMIHVXVTVNYYET-ZQDZILKHSA-N 392.460 -1.489 30 20 GAED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920408871 JQKYMYIWWOCRPV-STQMWFEESA-N 377.488 -1.741 30 20 GAED Cn1c(=O)[nH]c(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-c2nn[nH]n2)c1=O 1571130013 MZFXGLGUJCTFMM-WPPNPWJKSA-N 378.374 -2.372 30 20 GAED C#CCOCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573288484 UTHCHOPMVVHFDM-LLVKDONJSA-N 375.389 -1.216 30 20 GAED C#CCO[C@H](C)C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1602727583 PYHQWHBOLAFKFC-CYBMUJFWSA-N 385.432 -1.067 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835397358 ICNNDUPIKSGYKH-GOSISDBHSA-N 395.412 -2.137 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347787 OPFIUWRSZKAHST-CXAGYDPISA-N 377.401 -1.087 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836488847 IALUOBKHYCYHGP-KSSFIOAISA-N 396.492 -1.989 30 20 GAED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 349478847 IEASBIQGFAATLI-RYUDHWBXSA-N 389.455 -1.196 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC1 825975443 QHIPSLXTVQXJIS-MRXNPFEDSA-N 384.502 -1.014 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1O 1023960239 DXMNEPXVKDKVCF-LPWJVIDDSA-N 380.401 -1.793 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1111322179 VACRCMNBGSTTCH-VWPFQQQWSA-N 382.486 -1.071 30 20 GAED CCOCCN1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1323421916 TUZFCLBCTBVKIB-NXVVXOECSA-N 393.444 -1.190 30 20 GAED C=CCSCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1341030003 GMULJAXBZAXFJY-UHFFFAOYSA-N 396.469 -1.158 30 20 GAED C#CCNC(=O)C1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)CC1 1602722397 PRIPXMBVHTZLPY-UHFFFAOYSA-N 386.372 -1.883 30 20 GAED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 1606350365 UMDLGFSKVLNTPT-GFCCVEGCSA-N 387.404 -1.345 30 20 GAED Nc1n[nH]c(CCC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1778852303 GJTPSMLHGHGUPR-MRXNPFEDSA-N 376.373 -1.763 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)O 1835342457 CQJXJIGGXVUYGM-UGSOOPFHSA-N 394.428 -1.191 30 20 GAED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)n1cnnn1 1835364242 NNIUNCPXZNIZKJ-CJNGLKHVSA-N 377.405 -1.006 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)CC1 1836145408 WVDIPYIZFABQRC-INIZCTEOSA-N 375.389 -1.567 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1840444828 VPIJGYZFYPOXAH-KSSFIOAISA-N 390.396 -1.012 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1841056161 VHLLEWRUCFITAT-PLNGDYQASA-N 386.408 -1.027 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 759622303 NEVJKZDLWXYMHX-UHFFFAOYSA-N 399.517 -2.153 30 20 GAED C#CCN1CCN(C(=O)Cn2cc(C(=O)OC)cc(-c3nn[nH]n3)c2=O)CC1 819701627 KIOWKBZQCLXZJV-UHFFFAOYSA-N 385.384 -1.408 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1O 1023959007 VTNRNCZWYQPFSD-SYQHCUMBSA-N 379.413 -1.292 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1110732405 BPNZDXSGVLPWSM-UTUOFQBUSA-N 381.414 -1.098 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1326481683 UGNHGEOPALOPRH-OAHLLOKOSA-N 393.469 -1.112 30 20 GAED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1554505319 MJNCRCZYGVGCSK-LBPRGKRZSA-N 380.434 -1.043 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784479467 CIDLNZVSJGXNLS-CWVYHPPDSA-N 394.472 -1.403 30 20 GAED NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787425883 BUQXOBZVEHDODG-QAETUUGQSA-N 392.500 -1.049 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840420 SVLQWKUSFPBWLI-KSSFIOAISA-N 391.428 -1.077 30 20 GAED CNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 298780651 NQSFDNMCXXPNSG-UHFFFAOYSA-N 379.442 -1.273 30 20 GAED C[C@H](C(=O)NC1(C#N)CCC1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 569984719 ZWHXITHNUAYDPN-GFCCVEGCSA-N 375.433 -1.100 30 20 GAED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 737696416 QYRJBFSMGAQVTL-UHFFFAOYSA-N 378.374 -2.099 30 20 GAED CCN1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3CN(CC)CCO3)[C@@H](C#N)C2)C1 912536691 ZRYUQCRAVCSITR-YESZJQIVSA-N 393.488 -1.009 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832334768 OOZGXZRQTKZVGE-KRWDZBQOSA-N 380.401 -1.429 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835356551 CXIAMXOSVHRQEN-RHSMWYFYSA-N 398.416 -1.189 30 20 GAED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1=O 349478876 SYDGBDZNBTUYHB-UHFFFAOYSA-N 378.476 -1.154 30 20 GAED CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349531469 JFGJCBDBPUYUOS-UHFFFAOYSA-N 389.459 -0.907 30 20 GAED C[C@@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)N(C)C[C@@H](C)C#N 558564650 DEJIUBCBRYPDCT-RYUDHWBXSA-N 380.496 -1.162 30 20 GAED CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637492 GUBIRCPPLFVWMC-MRVPVSSYSA-N 395.488 -0.800 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 601580793 DNFNPBMCFAOVDZ-INIZCTEOSA-N 390.488 -1.285 30 20 GAED O=C1NC(=O)C(=NNc2ccccc2S(=O)(=O)N2CCOCC2)C(=O)N1 814222218 DBFRNQBSPBGAAS-UHFFFAOYSA-N 381.370 -1.159 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1117627697 ARAZRHBWZCRNOS-UHFFFAOYSA-N 383.492 -1.463 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1777999425 OLEYORHHQHHFPC-UHXJKJJXSA-N 393.488 -1.355 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257538 ZFIJAVUBRYMJEW-APWZRJJASA-N 399.488 -1.306 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797963534 GZEUBDLTTVPIME-USACIQFYSA-N 395.456 -1.235 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1834755803 DASJECRXPYFHDI-INIZCTEOSA-N 379.373 -2.092 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)O 1835342455 CQJXJIGGXVUYGM-SCLBCKFNSA-N 394.428 -1.191 30 20 GAED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 289118319 QPCGBBPWTMGEFR-LSDHHAIUSA-N 399.407 -1.117 30 20 GAED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2COC[C@H]2O)n1 349538271 SMPNUZRVDDERQF-VXGBXAGGSA-N 390.443 -1.236 30 20 GAED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 848956406 RYJSGNBRNJSEGD-CHWSQXEVSA-N 399.450 -1.128 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 968576200 HCGJNNGZOZZLKF-NDBYEHHHSA-N 378.385 -1.772 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1O 1023941786 AYOXPOMFCLJDIU-VLXAULBPSA-N 392.412 -1.382 30 20 GAED N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 1117218856 QHMLSWLHHUJVSE-UHFFFAOYSA-N 382.384 -1.468 30 20 GAED CC[C@@H]1[C@@H](C(=O)N2C[C@H](n3ccnn3)[C@H](NCC(=O)NCC#N)C2)CCN1C 1129849972 GNFBOOHZQUDBEJ-JJXSEGSLSA-N 388.476 -1.010 30 20 GAED C#CCO[C@H](C)C(=O)NC1(CNCC(=O)NCc2cnn[nH]2)CCOCC1 1575013049 JWSYQJHRNDOZAZ-CYBMUJFWSA-N 378.433 -1.286 30 20 GAED N#C[C@]12CN(S(=O)(=O)c3cncc(-c4nn[nH]n4)c3)C[C@H]1CS(=O)(=O)C2 1592681711 YQCRNOOFOGXHHB-GXFFZTMASA-N 395.426 -1.179 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791349228 CPGQIIPYAZLVHY-XUXIUFHCSA-N 377.397 -1.420 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1797586499 SIZMLCWVPVKEFC-GFQSEFKGSA-N 380.401 -1.056 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832483171 HNTUQNOEAGCOAP-SFHVURJKSA-N 392.412 -1.592 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 349461029 JCYLVZINHJCAFK-GFCCVEGCSA-N 378.476 -1.154 30 20 GAED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 538169795 FMONUWMCDRDARQ-JTQLQIEISA-N 375.385 -1.129 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O 582976318 VZTGUPHFTSFYPU-ZJUUUORDSA-N 384.455 -1.174 30 20 GAED C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)NC1(C#N)CCC1 787575357 LXEIXQMAIDXHIC-SNVBAGLBSA-N 388.384 -1.072 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 1117907085 QHJDXFUIKAQALC-MJBXVCDLSA-N 388.428 -1.006 30 20 GAED C#CCNC(=O)CN1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588354616 RVFMPBNVSVSVOH-UHFFFAOYSA-N 385.432 -1.708 30 20 GAED NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835550071 YZLZTLVKCIHLKU-BAEMFCHESA-N 384.433 -1.070 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(CC(=O)NCC)CC2)C1=O 299618519 ZGLORUVWSHOVEZ-UHFFFAOYSA-N 379.417 -1.366 30 20 GAED Cn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(C#N)c(=O)n(C)c1=O 462948152 XYHFEGXBXJHTSM-UHFFFAOYSA-N 394.413 -1.404 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCCN2CCCC2=O)c1=O 498452732 YHCUWSNUYNMTDJ-UHFFFAOYSA-N 391.428 -1.328 30 20 GAED CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCC(=O)NCC#N)cn2)CC1 588246221 YBNOMLPAWRFPRG-UHFFFAOYSA-N 395.445 -1.076 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 960979346 YKNBRWQQROBNFR-FXUDXRNXSA-N 392.456 -1.553 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](CC)C(=O)N2CCOCC2)CC1 1117521033 ISYPKQVAVMGQMZ-OAHLLOKOSA-N 392.456 -1.272 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC(=O)NCC#N)C[C@@H]32)O1 1218618226 QEKDKCPTNQDYNU-BYNSBNAKSA-N 393.444 -1.826 30 20 GAED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1327807228 GQCSYMHHAYRMMD-UHFFFAOYSA-N 386.478 -1.959 30 20 GAED N[C@@H](Cc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561586 ABUGSXAFGSFWJY-KXBFYZLASA-N 386.408 -1.131 30 20 GAED N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795539099 KIAWWGYXXPVOJL-OLFZTZOJSA-N 396.448 -1.412 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631256 AKAFJNLAOURVEB-XYFZXANASA-N 382.461 -1.240 30 20 GAED COC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041484 OYGAPAKNGBQKGD-QGZVFWFLSA-N 382.369 -1.516 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 568646961 MWIQPZRPSHVXBZ-OASPWFOLSA-N 387.439 -1.501 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2ccco2)CC1 761024532 PDSOMEDUSNYXAA-UHFFFAOYSA-N 383.430 -1.309 30 20 GAED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 791329448 FCVAOPUGKCJETE-JSGCOSHPSA-N 380.488 -1.025 30 20 GAED CN(C)c1c(C=NNC(=S)NCCN2CCOCC2)c(=O)n(C)c(=O)n1C 807946975 BAJILSJUMOJWNZ-UHFFFAOYSA-N 397.505 -1.720 30 20 GAED C#CCSCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1117462396 WWKAWNMJFBBFBW-UHFFFAOYSA-N 394.453 -1.711 30 20 GAED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N(CCC#N)CCN1CCOCC1 1118573321 WVWDJLMQGDHRRN-UHFFFAOYSA-N 397.457 -1.070 30 20 GAED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1 1130672747 XWVLVFKRCTWXKX-PQEBFOHHSA-N 389.456 -1.013 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1 1329114514 OPPBKSONZGDMLB-FZMZJTMJSA-N 389.455 -1.196 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)nn1 1329221559 DTNDSKPJRRVSSK-CQSZACIVSA-N 376.417 -1.070 30 20 GAED CC#CCCCC(=O)NCC1(O)CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575118392 XDWBXJKAIKNKBN-UHFFFAOYSA-N 376.417 -1.306 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(N)=O)C(=O)C1 458045784 KYQDDDDNAUZUBW-LLVKDONJSA-N 393.425 -1.619 30 20 GAED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2COC[C@H]2O)s1 594637141 AEJRNWSIMRKLCO-NXEZZACHSA-N 396.472 -1.174 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)CCN(C)CCOCCOC)CC1 831584186 HFUAZYBWTPUEOO-UHFFFAOYSA-N 390.506 -1.417 30 20 GAED C#CCNC(=O)C1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1116951411 HHOOOUSYEGSPFZ-CYBMUJFWSA-N 384.458 -1.539 30 20 GAED N#Cc1ncc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1-c1nn[nH]n1 1581881890 DLQUNERQVROPMT-JTQLQIEISA-N 375.418 -1.163 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1588351316 OGIQZWWEZAFDPU-FRRDWIJNSA-N 383.416 -1.580 30 20 GAED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566247 RYVFFIRYUMWYNO-MRXNPFEDSA-N 382.442 -1.612 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213052 JUXHIHRUHXZIET-DNVCBOLYSA-N 392.456 -1.551 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835926398 WANJPJCWBLVGOE-QGZVFWFLSA-N 386.368 -1.879 30 20 GAED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1839898463 AWOFMZYWCIYEPX-KRWDZBQOSA-N 394.380 -1.516 30 20 GAED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C1 349462015 RWWVAQJKIZDZRX-UHFFFAOYSA-N 375.432 -1.101 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC1 374043930 GMWBTSOJUXLISP-OAHLLOKOSA-N 393.488 -1.324 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)N(CCC#N)CCN2CCOCC2)CC1 469905315 IMBUIRPMFWTSAU-UHFFFAOYSA-N 387.506 -1.362 30 20 GAED O=C1CN(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 800755838 UOCVQEJOKINLLX-UHFFFAOYSA-N 394.409 -1.383 30 20 GAED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CC1 848962545 COYOHYCLUNNNIV-UHFFFAOYSA-N 376.464 -1.483 30 20 GAED C[C@H]1[C@@H](C)N(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[S@@]1=O 1322693388 JXXCWGHKRIKRNA-COMADGBUSA-N 382.442 -1.003 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 1329221557 DTNDSKPJRRVSSK-AWEZNQCLSA-N 376.417 -1.070 30 20 GAED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 1602722288 KIBMGSKAFHTNPE-CYBMUJFWSA-N 386.416 -1.235 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1783530979 AUVFLNZUASTQKQ-JJVDHKILSA-N 392.460 -1.692 30 20 GAED NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1802162791 LSEDDCRLTBVQIM-ITJPFAJOSA-N 377.401 -1.044 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832692058 AHHYFSLBVUIKND-SJCJKPOMSA-N 393.400 -1.655 30 20 GAED NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835550080 YZLZTLVKCIHLKU-XBGDJPNVSA-N 384.433 -1.070 30 20 GAED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040146 QPEFZUDTAUHGMH-SCLBCKFNSA-N 395.412 -1.555 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1840044079 JZQIMBBXUUREPP-SFHVURJKSA-N 380.397 -1.164 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1 566985320 FBJYFAKBNVJQER-UHFFFAOYSA-N 388.471 -1.213 30 20 GAED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920408870 JQKYMYIWWOCRPV-QWHCGFSZSA-N 377.488 -1.741 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1043257817 YMCXDCVSUUOJBV-ZOBORPQBSA-N 381.429 -1.310 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 1325947488 MYRDSCIHDNVNRH-OAHLLOKOSA-N 389.460 -1.155 30 20 GAED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1328554932 JNEQEAZKQDSVEA-CQSZACIVSA-N 387.444 -1.014 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782745814 WAIFENQIRKNSRY-UGSOOPFHSA-N 395.412 -1.602 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783255942 NFDHAENBJYDZSZ-APWZRJJASA-N 397.472 -1.859 30 20 GAED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783561097 CQSJEBKENRTTHI-IBGZPJMESA-N 392.456 -1.458 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761164 RPCSDUZRRSWKDM-WMLDXEAASA-N 382.417 -1.492 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NS(C)(=O)=O)CC2)o1 758491735 JZIOKSLCVOWFIS-JTQLQIEISA-N 399.429 -1.016 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 1024348740 JKSALAPKMSSZMU-TUVASFSCSA-N 380.445 -1.961 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)N1CCOCC1 1110069886 DDYFUFKTXSSEEB-ILXRZTDVSA-N 377.445 -1.013 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(COC)COC)CC2)nn1 1325947170 JIMGIHYWXYPRSM-UHFFFAOYSA-N 380.449 -1.114 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H]1CCCO1 1342892830 IBOPERGPJSUNTI-GJZGRUSLSA-N 389.412 -1.023 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 1588713831 VTSLIPYFTIYWQB-KOLCDFICSA-N 383.376 -1.586 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1783554487 ATZPXGHGMOTEMU-KRWDZBQOSA-N 381.454 -1.047 30 20 GAED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784530742 PPPHDNBQDFRTPL-IHRRRGAJSA-N 379.413 -1.031 30 20 GAED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831217907 CPKJUHGZPUGHRW-TXPKVOOTSA-N 377.441 -1.421 30 20 GAED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1834248983 BYGLEHCVZOBJHO-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840039978 KYHAUONJYNFDSW-QGZVFWFLSA-N 390.352 -1.660 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840178331 CWNACNFRUZEKFJ-DLBZAZTESA-N 383.401 -1.028 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CCCO1 773800600 YBIGVORZPQWNFL-STQMWFEESA-N 385.380 -1.132 30 20 GAED COCCn1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cn1 1318792223 UNTLTRHQGYTGRU-UHFFFAOYSA-N 386.437 -1.132 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)nn1 1345710339 IDPOAGVHHXKBDF-ZDUSSCGKSA-N 385.446 -1.258 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837366669 JQHLIRHTECTBOT-INIZCTEOSA-N 378.341 -2.593 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861647 DODVJZBHKIYYLS-KDOFPFPSSA-N 381.429 -1.253 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 748809722 IDCUUZXBDNERFU-UHFFFAOYSA-N 391.472 -2.233 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 848070152 HTQRMKOAVDJREL-UHFFFAOYSA-N 382.417 -1.020 30 20 GAED N#CCNC(=O)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1131386008 QUZBKWFUZNYXRG-KFWWJZLASA-N 377.445 -1.156 30 20 GAED N#CCSCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1318002717 SYOKOKMEYDRYBJ-LLVKDONJSA-N 381.501 -1.096 30 20 GAED C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCOCC1 1341164292 SFIDGJUBEZNVFU-JFVSRZABSA-N 393.444 -1.287 30 20 GAED COC[C@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCCO1 1342101556 VVSREXLTQLVNTR-ITCLLNIHSA-N 380.401 -1.061 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1347184084 ICJOJYBNKCEQPO-LLVKDONJSA-N 381.476 -1.756 30 20 GAED N#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 1581858058 OPGSJRFLGFQKFV-LLVKDONJSA-N 387.404 -1.345 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 1588351414 SXUWSMPSPHLHGF-JSGCOSHPSA-N 385.432 -1.048 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1783561930 QQSSZVGDUBCHEL-KRWDZBQOSA-N 379.369 -1.253 30 20 GAED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)C1 1792440424 YSLIPPHCEPAFGN-JJLQDPRZSA-N 399.411 -1.018 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1800777125 FKECFWJXMMQEMV-VZAMPYOESA-N 381.385 -2.685 30 20 GAED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833236349 JHSQEMDXHLPYDR-MRXNPFEDSA-N 377.357 -2.027 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)C1=O 508282087 YNHJBJZOPQWGQW-GFCCVEGCSA-N 391.428 -1.226 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC(=O)N(C)C[C@@H]3C)CC2)c1C#N 839337640 WFPNAOISAZDSLV-LBPRGKRZSA-N 387.444 -1.062 30 20 GAED N#C[C@@H]1CN(C(=O)CCN2CCOCC2)CCN1C(=O)CCN1CCOCC1 912536305 SQGOWTPAGIUIGK-QGZVFWFLSA-N 393.488 -1.006 30 20 GAED NC(=O)CN1CCC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1318562003 XDGINVXPLZASJP-NSHDSACASA-N 379.442 -1.209 30 20 GAED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1350529488 DZYCENUTUGMOLD-GFCCVEGCSA-N 387.444 -1.005 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)c(C#N)c1=O 1571152253 GFQMHLYWAHNOKC-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED C#CC1CCN(C(=O)C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)CC1 1588331472 BEUKQJXRFBKJPE-UHFFFAOYSA-N 398.383 -1.616 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)CC1 1786694533 MVJPFXSSKDQBLK-XUXIUFHCSA-N 377.445 -1.137 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831390923 AGGVXKWTLKEROH-KSSFIOAISA-N 391.428 -1.077 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840041899 ODSQMUUQWATPMB-INIZCTEOSA-N 377.357 -2.178 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cnnn1 1109879916 RAODBMLOHWVRNT-AGIUHOORSA-N 376.421 -1.204 30 20 GAED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(=O)Cn1cnnn1 1111248767 NSLBFOCMIQTSFU-YJNKXOJESA-N 375.433 -1.451 30 20 GAED C[C@@H](C(=O)NCC#CCNC(=O)[C@@H](C)N1CCN(C)CC1)N1CCN(C)CC1 1320967661 MHFOKKKIIMJHAG-HDICACEKSA-N 392.548 -1.506 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCOCc2cnn[nH]2)C1 1575014062 WZUKGJYKRDODDH-DYVFJYSZSA-N 379.417 -1.171 30 20 GAED N#Cc1nc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cnc1-c1nn[nH]n1 1581879246 CXRRWUHWSLASDT-JTQLQIEISA-N 375.418 -1.163 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354631 SJSFTBQWKPXELV-NEPJUHHUSA-N 386.372 -2.364 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831390922 AGGVXKWTLKEROH-KDOFPFPSSA-N 391.428 -1.077 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861649 DODVJZBHKIYYLS-RDTXWAMCSA-N 381.429 -1.253 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(c2ncccn2)CC1 349540172 SCFTYIYKIKZDDL-UHFFFAOYSA-N 388.475 -1.239 30 20 GAED N#CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594358212 SNKQWGUZDQIJDU-AAEUAGOBSA-N 384.389 -1.294 30 20 GAED O=C(N[C@H]1CCN(O)C1=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1O 820175479 YQNFGAMBPKEUKR-QWRGUYRKSA-N 378.341 -1.168 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1111084164 DBOXJFQFOCBCBS-BNOWGMLFSA-N 375.429 -1.279 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)S(C)(=O)=O 1117433361 DHDJGXOEZXNARN-NEPJUHHUSA-N 394.457 -1.065 30 20 GAED Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 1256059376 IIDCSVMSCYSFHV-UHFFFAOYSA-N 393.226 -1.082 30 20 GAED C#CCNC(=O)CC(=O)N[C@H](CO)CNC(=O)c1cncc(-c2cnn[nH]2)c1 1575004241 BLTKXNHMOCZZPO-ZDUSSCGKSA-N 385.384 -1.787 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777833910 YDTCIVIAUXXHJA-QGZVFWFLSA-N 384.352 -1.344 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783151994 WCWNASJHDQGNFF-WLPBJKJWSA-N 378.429 -1.060 30 20 GAED NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678310 YHKKTZDVMYXFLC-UYRAHUEXSA-N 377.445 -1.036 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006551 NPAYVMDDGUMFPL-CULMDFNYSA-N 391.340 -1.531 30 20 GAED N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795539082 IIEAEUSJSRCVGE-MVQUXVFWSA-N 379.465 -1.469 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840043382 VDIVZXSEFGFCMT-KRWDZBQOSA-N 390.352 -1.660 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1840173611 IDVLHHHNDFQUSD-FUHWJXTLSA-N 383.445 -1.331 30 20 GAED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(N)=O 551921556 QPAWCYJZXCSCHX-UHFFFAOYSA-N 388.453 -1.534 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 761031122 OELDZIUUOGIWPR-HNNXBMFYSA-N 399.517 -1.411 30 20 GAED CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1829896184 JGJNSFHBWNSLKP-LJQANCHMSA-N 393.440 -1.127 30 20 GAED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830398001 LYANMAZUOSSMPU-MGABJAEBSA-N 381.385 -1.534 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832693427 JSLCWWLFQIAQBD-MEDUHNTESA-N 379.373 -2.045 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921338 RVCWFDKHQYNGAX-SUMWQHHRSA-N 399.448 -1.088 30 20 GAED C#CCN=c1nc(N2C[C@H](C)O[C@H](CO)C2)[nH]c(N2C[C@@H](C)O[C@@H](CO)C2)n1 804646015 KMIHVXVTVNYYET-NMWPEEMBSA-N 392.460 -1.489 30 20 GAED C=CCC1(S(=O)(=O)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 810979618 GCTWVMQRXMPYBX-UHFFFAOYSA-N 381.414 -1.012 30 20 GAED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1831407206 SNPUUTHZYNHZMF-MAUKXSAKSA-N 384.477 -1.288 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833535292 CWLQHIMXCPCAFT-HNNXBMFYSA-N 380.382 -1.304 30 20 GAED C#CC(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838743532 XEZSLIBZCGYGDR-UHFFFAOYSA-N 381.473 -1.095 30 20 GAED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042790 OMDSDTGPTTZKMT-QGZVFWFLSA-N 376.369 -1.124 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 969516358 KNRZPLPTFOWTFD-LOUJCGABSA-N 380.445 -1.913 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](CC)C(=O)N2CCOCC2)CC1 1117521032 ISYPKQVAVMGQMZ-HNNXBMFYSA-N 392.456 -1.272 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 1757181228 KDOKXBUMHPUKCL-XFMPKHEZSA-N 389.474 -1.453 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779094082 CBFTZBHSSYKONT-NVXWUHKLSA-N 381.385 -2.445 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791523246 XTQHZWIFNIYAKD-IHRRRGAJSA-N 375.385 -1.264 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793341042 IMOBAMGWGPLWFP-HGTKMLMNSA-N 380.445 -1.115 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cn1 275468205 IALVYVRETRMGEA-KBPBESRZSA-N 386.455 -1.271 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](O)[C@@H](O)C2)CC1 444718757 PIJLRAYWBRRYPF-GJZGRUSLSA-N 394.453 -1.571 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CO)CC1 497440717 NJTOLCORHMWAKN-LBPRGKRZSA-N 380.426 -1.112 30 20 GAED C#CCNC(=O)CCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 815064980 MOVINMULSMCBRX-ZDUSSCGKSA-N 377.488 -1.740 30 20 GAED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 970613322 LOGHWAMSGNRHHG-VZZFWQQMSA-N 392.416 -1.811 30 20 GAED C#CCCN1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 1116479134 JZUQMWSCDIUUCL-QGZVFWFLSA-N 382.530 -1.041 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)CC1 1785153087 FNCAEBGYJWQQBV-CYDGBPFRSA-N 389.412 -1.132 30 20 GAED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040309 ULNKFGDMQKYVOQ-KDOFPFPSSA-N 395.412 -1.555 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)O 1840041896 NUBNPENSVQWGRX-YVEFUNNKSA-N 397.384 -2.407 30 20 GAED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840044726 UHEJVCFZZVZXDM-KRWDZBQOSA-N 394.380 -1.516 30 20 GAED CN(C[C@H](O)CN1CCOCC1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 569894366 VMOZNFYOQOOZAG-HNNXBMFYSA-N 396.469 -1.012 30 20 GAED CN(C)C(=O)CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 917367388 ZBWOCPQDRAAMKN-UHFFFAOYSA-N 393.469 -1.043 30 20 GAED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1602862681 GMXBYUPOTBFYTP-UHFFFAOYSA-N 380.386 -1.010 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1792485973 ZJJLBBSMCKCFGJ-LXBXGBMDSA-N 399.469 -1.521 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831394173 YNGPHRHWQOXSDX-YJBOKZPZSA-N 391.428 -1.227 30 20 GAED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1110576645 UAERBFKKLLSFPM-LOWDOPEQSA-N 375.433 -1.211 30 20 GAED C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 1337649709 DSRLGBBQAYRMBV-MRXNPFEDSA-N 391.472 -1.203 30 20 GAED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1574936123 GZASGCKPBAXQHI-OLZOCXBDSA-N 398.489 -1.136 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1786703647 ZTWNFAGDOMRDFI-AVGNSLFASA-N 388.361 -1.005 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1793343916 BJCUUIZGIMGFNP-USACIQFYSA-N 395.456 -1.235 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796406225 VYWGLQDXWZRQFC-BZBKMWRSSA-N 377.313 -1.391 30 20 GAED CS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 267738784 JGYHNPAZCBDGTN-UHFFFAOYSA-N 386.455 -1.060 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)N(CCC#N)CCC#N)C2 467290487 RFJYNLWGJHAFBM-UHFFFAOYSA-N 388.432 -1.395 30 20 GAED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C[C@@H](C)O1 603908993 NJEUMMHIRBYOFE-CHWSQXEVSA-N 397.461 -1.352 30 20 GAED Cc1nonc1NS(=O)(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 848959621 NJADYWAYINXJMS-UHFFFAOYSA-N 392.463 -1.019 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092917973 NRBSFONRPRZLEC-AGIUHOORSA-N 379.446 -1.030 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CNC1=O 1110082184 AOVGKNVTECYEAG-RDBSUJKOSA-N 375.429 -1.211 30 20 GAED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1=O 1118237845 MZZUOYLRWWJWMZ-LBPRGKRZSA-N 381.414 -2.260 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3cnccc3C#N)CC2)c(-c2nn[nH]n2)c1=O 1592544216 OTALOTDFBCAPLR-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1783562137 FQRYPBRXRFVKJB-SFHVURJKSA-N 399.363 -1.034 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1783563226 YEXFDLTYHPEYQP-CQSZACIVSA-N 389.301 -2.371 30 20 GAED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783895800 WPZDZHAUDANBIU-VFZGTOFNSA-N 393.429 -1.426 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760141 JEWVFSKSWJEPLY-NFFDBFGFSA-N 394.428 -1.281 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N(C)C[C@H](O)CN1CCOCC1)c1cc[nH]n1 276538782 FWMIEHVBDJUNJU-GJEKEPIOSA-N 397.432 -1.155 30 20 GAED C=CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H]1CCS(=O)(=O)C1 469072410 UKWCNZFCMHZHGJ-CYBMUJFWSA-N 379.504 -1.235 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCNCC2)CCN1Cc1ccccc1 557310687 PQUMLPRZLMCNSD-QGZVFWFLSA-N 398.467 -1.229 30 20 GAED C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(C)CCC#N 729628179 UAOQGBDRYIUUCT-SNVBAGLBSA-N 376.373 -1.263 30 20 GAED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1137336409 ZFIQULPBBOVPHK-ZDUSSCGKSA-N 388.428 -1.024 30 20 GAED N#CCNC(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1150006019 QMAFXGVHKAIIEA-QBYUYEEZSA-N 380.445 -1.115 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1=O 1330905049 WLEOAPVYJLLYRC-KRWDZBQOSA-N 391.384 -1.200 30 20 GAED Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553671 VXWXWBQFTRCZOG-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793941921 PDNWDISWWMLEFQ-AIUMHDJVSA-N 392.412 -1.788 30 20 GAED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1834449001 NGMSSRLFLRSCEP-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837702723 HWPRJNFNXXTWDQ-SCLBCKFNSA-N 393.396 -1.779 30 20 GAED COC(=O)c1c(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)n[nH]c1C 912553600 MOSODFZZDRINQD-UHFFFAOYSA-N 382.358 -1.383 30 20 GAED C[C@@]1(CNC(=O)CCOCc2cnn[nH]2)CN(CC(=O)NCC#N)CCO1 1575980672 WYDXNBYQQDDWFB-MRXNPFEDSA-N 379.421 -1.442 30 20 GAED N=C(N)NCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834678716 YRCHTWSKFFNBEG-UHFFFAOYSA-N 378.433 -1.871 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838108913 VGPOVOCRUZYCKW-INIZCTEOSA-N 379.325 -1.462 30 20 GAED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 1024389469 HNTNOGBJNRWITK-RRCSTGOVSA-N 392.460 -1.125 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)CC1 1261122138 BGRGZIRQFRWFMF-CVEARBPZSA-N 395.456 -1.089 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCN3C(=O)CNC3=O)CC2)c1 1322580257 XOZRXSSXAMGUSQ-UHFFFAOYSA-N 399.411 -1.340 30 20 GAED C=CCN1CC[C@@H](N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1=O 1322587269 BUICYWGBVCYVIP-LSDHHAIUSA-N 384.502 -1.306 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564217 HYXLIFJYJOXTDA-XJKSGUPXSA-N 383.357 -2.031 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831597849 LQWUCVUCUZHRSG-KHYOSLBOSA-N 395.456 -1.007 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837270421 BNTBIENMCAJLMY-INIZCTEOSA-N 377.405 -1.310 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1840173613 IDVLHHHNDFQUSD-WMZOPIPTSA-N 383.445 -1.331 30 20 GAED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1 349496630 PRTDQBMRKYZBTE-LBPRGKRZSA-N 380.492 -1.052 30 20 GAED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 595989320 SGCVHBJZPKFMIX-HUUCEWRRSA-N 397.439 -1.628 30 20 GAED C#CCNS(=O)(=O)N1CCN(CCNS(=O)(=O)CCCOC)CC1 761038485 VPZIKILGEQEKJY-UHFFFAOYSA-N 382.508 -1.973 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1220048522 RFFXDMJLTSWKSH-JHZZJYKESA-N 396.444 -1.789 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNCC(=O)NCc2cnn[nH]2)C1 1575013044 JWGLCRSTDAXUEQ-ZFWWWQNUSA-N 378.433 -1.334 30 20 GAED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1778264450 VSGQWROYOUCONL-SFHVURJKSA-N 378.429 -1.848 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2 1783562125 DQPGVUOODHSLNQ-MRXNPFEDSA-N 376.325 -1.581 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790749329 NGUNHWRWDBOJGY-XUXIUFHCSA-N 398.437 -1.369 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790844927 SNZCTPHDJUBKMC-PVPAMPSESA-N 392.456 -1.039 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1793340434 HJZPLYZNINBODV-AIUMHDJVSA-N 392.412 -1.788 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 568646962 MWIQPZRPSHVXBZ-ZWKOPEQDSA-N 387.439 -1.501 30 20 GAED CC(C)NS(=O)(=O)NCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599041649 FYOBHXMDYLAZQM-UHFFFAOYSA-N 399.433 -1.781 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccccc2-n2cncn2)c(=O)n(C)c1=O 814883214 FAOCSMDBZWPRRI-UHFFFAOYSA-N 389.397 -1.023 30 20 GAED N#C[C@H]1CNC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 834516954 OGTVYZWJLLMEGO-GXTWGEPZSA-N 377.426 -1.352 30 20 GAED C=CCN1CC[C@H](N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1=O 1322587267 BUICYWGBVCYVIP-GJZGRUSLSA-N 384.502 -1.306 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)CCC1 1801979898 NGQBHPMUBYCLBS-QVHKTLOISA-N 377.445 -1.137 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319004 LZLNGBQTRNAHOS-KBXCAEBGSA-N 397.428 -1.163 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)C(=O)O 1847262095 NEQRSSAPDGMQFG-AIMRDXAKSA-N 392.412 -1.410 30 20 GAED C=CCN1CCC(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 419722570 DTFNGUWDFXQZOB-UHFFFAOYSA-N 399.517 -1.801 30 20 GAED N#CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 588281099 FVJPTELTLLRZQS-UHFFFAOYSA-N 382.402 -1.136 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 995453919 GSGFZUQQXQOHFE-XQHKEYJVSA-N 385.442 -1.711 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 1109292841 ITHFEULBYCASCJ-NDBYEHHHSA-N 376.421 -1.205 30 20 GAED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](OC)C1 1213438530 ZLXAPMVWHOAUBX-APIJFGDWSA-N 380.445 -1.813 30 20 GAED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NCCOC)CC1 1341316214 MCDFJAHBYTVWRG-AWEZNQCLSA-N 391.476 -1.048 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 1346797428 SCUNGOVWGXEDHX-LBPRGKRZSA-N 397.457 -1.333 30 20 GAED C#CCNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353528 VZCOFWYEHVYIGQ-GTNSWQLSSA-N 386.416 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783564487 KNKUVPZGAAPGEB-DOTOQJQBSA-N 381.385 -2.445 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141839 AMPHEADQCQRHPC-RHSMWYFYSA-N 394.432 -1.279 30 20 GAED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041347 HNHWAEBYKXAYRZ-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918210 MKJHKQNNNICKCO-GUYCJALGSA-N 382.417 -1.851 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)C1=O 410884101 PTPOTKLMMBWNOH-ZDUSSCGKSA-N 386.474 -1.274 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 451650283 AEBZDMKJJUCODE-UHFFFAOYSA-N 397.523 -1.046 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 730104736 UODNVOOGNMCUEZ-INIZCTEOSA-N 383.518 -1.280 30 20 GAED Cn1cc(/C=C/C(=O)NS(=O)(=O)c2cncc(C#N)c2)c(=O)n(C)c1=O 813980459 AZVLBFCRXLXPRK-ONEGZZNKSA-N 375.366 -1.131 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC1CC1 1109171177 HIZUSGCBJPJKSB-RDBSUJKOSA-N 375.429 -1.164 30 20 GAED C=CCn1c(O)nnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1257261064 LECVDDNNXYIMSE-ZJUUUORDSA-N 392.459 -1.023 30 20 GAED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1261849271 BEXVRLUGAWIUGQ-ZDUSSCGKSA-N 387.462 -1.532 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CCO1 1321653683 HQJQQZNVCZJHPK-OAHLLOKOSA-N 387.444 -1.144 30 20 GAED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 1326718478 LJEKCUQMBBYSRG-QWHCGFSZSA-N 389.412 -1.385 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1cncc(C#N)c1)C2 1347333609 IKFGHNDKBLSMIN-UHFFFAOYSA-N 391.413 -1.396 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 1602727162 VXBUPOCQCUQOHS-UHFFFAOYSA-N 394.417 -1.683 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1791078013 PWQQMUWHUQJHNH-SRVKXCTJSA-N 384.410 -1.128 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839917339 CSVLITFOOLXFSF-QGZVFWFLSA-N 384.433 -2.357 30 20 GAED C#CCN1CCN(C(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 748816139 CXHZURHLYYOHPY-CVEARBPZSA-N 384.502 -2.149 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1024767885 PWGMKWQLMHXRMY-JHEVNIALSA-N 388.384 -1.690 30 20 GAED CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109488259 NOCGTZSAHMZBOT-ILXRZTDVSA-N 378.477 -1.196 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1111371108 SRHROURFNYQZSI-SYQHCUMBSA-N 375.429 -1.260 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCO1 1321234340 VKPKDEFPIASMAD-MNOVXSKESA-N 395.484 -1.059 30 20 GAED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@H](C)OCc3cnn[nH]3)CC2=O)C1 1576951972 DAVWJVNUZTYKGS-KBPBESRZSA-N 390.444 -1.239 30 20 GAED C#CCNC(=O)[C@H](C)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588352979 CLBXPDLTYZLDNT-AAEUAGOBSA-N 388.432 -1.303 30 20 GAED C#CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588354154 HATSUSUMYDAZMG-SMDDNHRTSA-N 386.416 -1.237 30 20 GAED Nc1n[nH]c(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783563850 CMQSGXAQCPYAAL-INIZCTEOSA-N 376.373 -1.763 30 20 GAED C=CCSCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 286557927 SAIDZYDTPMFCTK-UHFFFAOYSA-N 398.485 -1.449 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCO1 409485778 OWRGXGWLXGUSEY-HTVCTNPSSA-N 380.426 -1.148 30 20 GAED C=CCN(CCOC)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 410910569 ORWXMPARAVNFCU-UHFFFAOYSA-N 396.444 -1.823 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600767618 SXCILFPDASQNKY-GMXVVIOVSA-N 381.476 -1.645 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)OC)CC2)C1=O 726043084 RDDIEHDQAZOIOV-UHFFFAOYSA-N 395.368 -1.082 30 20 GAED O=C1NC(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]12 764511931 DTZMYZWXEOFBKX-JTQLQIEISA-N 377.382 -1.512 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 969495430 OHLMRLXMEWVNKB-GHYVTOPFSA-N 392.412 -1.231 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1220358077 XZELHJBNURBVNS-XQHKEYJVSA-N 381.433 -1.939 30 20 GAED N#Cc1nc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cnc1-c1nn[nH]n1 1581879247 CXRRWUHWSLASDT-SNVBAGLBSA-N 375.418 -1.163 30 20 GAED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1785422152 CQDVSECMKLBQAA-QGZVFWFLSA-N 385.384 -1.331 30 20 GAED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787269227 JMIORXRRBHIHOQ-NHCYSSNCSA-N 386.372 -1.680 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835557574 MJMQEZBMSBYMHO-KXBFYZLASA-N 392.456 -1.551 30 20 GAED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 798202724 KVKNDSVEUOMQTE-UHFFFAOYSA-N 399.450 -1.110 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCNC(=O)C3CC3)CC2)c1C#N 1321925003 RFYBCXHDOKQNHO-UHFFFAOYSA-N 387.444 -1.109 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1325569533 HGPCVFSAXJAADM-UHFFFAOYSA-N 376.373 -1.105 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)CCO1 1326716942 ZILGPFQUXJFCHE-DGCLKSJQSA-N 386.430 -1.147 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793355056 ZRZHVKYFOOAZKB-NFFDBFGFSA-N 394.428 -1.281 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575731 UKVZJLFVDNJHNU-GUYCJALGSA-N 398.464 -1.273 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837526648 VDNJVLDOKSNBJK-HKUYNNGSSA-N 395.456 -1.493 30 20 GAED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841598868 ICOHWABECXEPKH-OAHLLOKOSA-N 397.497 -1.042 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349524655 QGNHDNHLTHALRC-LBPRGKRZSA-N 378.476 -1.202 30 20 GAED CN(C(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)[C@H]1CNC[C@@H]1O 423675199 IDPFZWJWQYEEIL-DBWSCCJJSA-N 383.408 -1.350 30 20 GAED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)CNC(=O)CC)CC1 1575004699 JIFBITIMBKSEJK-UHFFFAOYSA-N 389.460 -1.127 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528499 PTPRKJXOCKBBSW-QGZVFWFLSA-N 388.336 -1.294 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911655 KXDPKNSQKVFEMS-KKUMJFAQSA-N 397.428 -2.659 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)CCC1 1795639636 LCNFFMQCVWHKBN-QVHKTLOISA-N 377.445 -1.137 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)OC)CC2)c1=O 60892026 GIOWAFXQJPGNOY-UHFFFAOYSA-N 392.412 -1.045 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NS(C)(=O)=O)cc1 277631218 MZVVDIOSPBYXDB-UHFFFAOYSA-N 387.439 -1.206 30 20 GAED N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 843461116 SDGGAUVLEXZJOM-MISXGVKJSA-N 377.426 -1.085 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 959681186 IWJXMRQXIUSDCG-LPWJVIDDSA-N 376.417 -1.069 30 20 GAED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCNC(=O)C2)C1=O 1097642936 RXBRZRBVZWGTEK-WCVJEAGWSA-N 375.473 -1.073 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CCO1 1321748004 QDIZYDSOXWRIMY-AWEZNQCLSA-N 380.426 -1.027 30 20 GAED N#Cc1cn(CCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c(=O)nc1O 1565702053 SNLQLBYOOSJXOK-OAHLLOKOSA-N 390.444 -1.267 30 20 GAED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)CC1 1602960297 BBBVWLUKXQUNKL-KBPBESRZSA-N 386.474 -1.138 30 20 GAED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1792170632 IKDDEMTTYXCRBE-FQUUOJAGSA-N 376.413 -1.022 30 20 GAED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564404 MEDSIQJISLTXMA-WQGACYEGSA-N 388.490 -1.646 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840448764 IKTYKLBGWJOKMA-QGZVFWFLSA-N 391.384 -1.787 30 20 GAED Cn1c(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(C#N)c(=O)n(C)c1=O 536174205 RBGRGSGTAUEJOE-AWEZNQCLSA-N 398.423 -1.030 30 20 GAED COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 571820558 GFCMNULSCKNAEP-NSHDSACASA-N 377.400 -1.699 30 20 GAED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1221811902 OLVQGUWLPIETRN-YIYPIFLZSA-N 393.444 -1.436 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1324422878 LHATVESXJVYQPQ-GFCCVEGCSA-N 376.431 -1.524 30 20 GAED N#C[C@@]12CN(C(=O)NCCOCCOCC(=O)O)C[C@H]1CS(=O)(=O)C2 1594611471 ULRMYWDTSPQDTH-FZMZJTMJSA-N 375.403 -1.316 30 20 GAED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1839068390 TWLWUMBWVFWFOS-HNAYVOBHSA-N 393.440 -1.127 30 20 GAED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@H]2CCCS(=O)(=O)C2)CC1 329789413 SKFDKCPVOQQJDJ-AWEZNQCLSA-N 388.490 -1.046 30 20 GAED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1=O 530265640 GCUSXKMYAWYMRK-KRWDZBQOSA-N 386.368 -1.076 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735380478 HVDUBRJRVJIPHY-UHFFFAOYSA-N 389.441 -1.078 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)CC1 761036534 HFLFSWRMRPKNFO-GFCCVEGCSA-N 399.473 -1.410 30 20 GAED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 995449494 JBWZNBQJMFIEGM-ZOBORPQBSA-N 379.438 -1.642 30 20 GAED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1319804243 FUZAPAKGIUQULF-ZDUSSCGKSA-N 379.417 -1.019 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)[C@@H]1CCCO1 1320513224 MJWRDZKLENBPJC-KGLIPLIRSA-N 377.401 -1.119 30 20 GAED C#CCN1CCC(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[nH]n3)cn2)CC1 1602717950 KAFPZVIHBDVUOM-CYBMUJFWSA-N 385.432 -1.109 30 20 GAED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1799286619 UTSXZVMVHVUKNR-XQLPTFJDSA-N 379.461 -1.008 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703502 RNCYQKVAULFJMP-UHFFFAOYSA-N 389.412 -1.478 30 20 GAED CN1C[C@H]2CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)C[C@H]2C1 349507456 YECXBOOMNQGYNO-OKILXGFUSA-N 389.503 -1.121 30 20 GAED C#CCN1CCN(C(=O)CN2CCS(=O)(=NS(C)(=O)=O)CC2)CC1 846916183 YIYOSAIYCAQCMJ-UHFFFAOYSA-N 376.504 -1.493 30 20 GAED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1321178113 GOKNHKSFCRRIKV-CYBMUJFWSA-N 377.401 -1.429 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1343082578 ZGWPDVIEINPTBL-CYBMUJFWSA-N 377.463 -1.186 30 20 GAED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1786365432 KNBICJBCLKYCFL-GVXVVHGQSA-N 385.384 -1.075 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835559007 SQZONCPEJMKVHA-GUYCJALGSA-N 381.433 -1.661 30 20 GAED Cn1c(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C#N)c(=O)n(C)c1=O 277359292 AWISIGUXPVOYKT-UHFFFAOYSA-N 379.402 -1.810 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 281517725 HELQFMWEICADDD-ONGXEEELSA-N 379.398 -1.029 30 20 GAED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349502869 RKOZUKMZGYXXPG-GFCCVEGCSA-N 393.491 -1.409 30 20 GAED Cn1ncc2c(N3CCN(S(=O)(=O)N4CCO[C@@H](C#N)C4)CC3)ncnc21 409542911 JGJCNOIXXYFYAY-LBPRGKRZSA-N 392.445 -1.046 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 892838585 OWAZDCMAEXCWAG-CABCVRRESA-N 387.506 -1.110 30 20 GAED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1108089132 BNSSFKDFBGHLOY-MFWIUYSUSA-N 379.457 -1.006 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1110890676 CVRNBZSERFRXQU-LPWJVIDDSA-N 378.433 -1.257 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1196137136 HOARTQJKWKILBQ-LVQVYYBASA-N 392.456 -1.933 30 20 GAED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(CC(=O)NCc3cnn[nH]3)C2)cn1 1575021715 IYRAJMOCJJWHMX-GOSISDBHSA-N 383.412 -1.336 30 20 GAED C#CCNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353611 YPYTYERGZBWENQ-YPMHNXCESA-N 386.416 -1.237 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)nn1 1602846266 HAQJPAYMISNTER-DGCLKSJQSA-N 397.403 -1.196 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829221 WKBLTYOAKCMGQU-GNXNZQSNSA-N 377.401 -1.322 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1836174190 MQNDXKDJWZGRCN-KRWDZBQOSA-N 376.369 -1.573 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CC)C(=O)N2CCOCC2)C1=O 288414418 ZKNDCZNQXUGNLD-KGLIPLIRSA-N 380.445 -1.015 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 749253061 YAGPOPXJQCEDIY-ZDUSSCGKSA-N 376.394 -1.026 30 20 GAED CCOCCCNC(=O)[C@@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 916868072 JDMBEMBQNZQNPA-NSHDSACASA-N 390.400 -1.315 30 20 GAED COCC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1130235212 YPXZVDSTTRQGGK-CRWXNKLISA-N 390.444 -1.346 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744793 GMNLDDWUCKIRDS-UGSOOPFHSA-N 397.428 -1.050 30 20 GAED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564873 NXIPJPXOJMJWOE-GUYCJALGSA-N 375.385 -1.168 30 20 GAED Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n1 1788507068 RFEITCDUFWCEMZ-SRVKXCTJSA-N 390.400 -1.613 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)O 1831213030 JOAHDMVOMUWJDK-KXBFYZLASA-N 393.440 -1.081 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](C(=O)OC)C(C)C)c1=O 558461747 MBEDFVRXKOZQNR-ZDUSSCGKSA-N 380.401 -1.143 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC2)c1C#N 584534117 BWHXZMXPAYGTGF-UHFFFAOYSA-N 383.478 -1.013 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1O 1025711981 CKUNHSCJCJEYED-JHEVNIALSA-N 378.385 -1.622 30 20 GAED C=CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 1117153368 CHZASIHIXBKNMR-UHFFFAOYSA-N 388.490 -1.469 30 20 GAED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#CCO 1326768493 SINAVOYQQGYDQK-CQSZACIVSA-N 388.467 -1.120 30 20 GAED C#CCNC(=O)CN1CC(N2C[C@H](NC(=O)CCCc3cnn[nH]3)CC2=O)C1 1575005259 YVHZCFYYTOTFKK-CQSZACIVSA-N 387.444 -1.722 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588723272 JVBGRWFIYGVFHR-LOWVWBTDSA-N 375.389 -1.007 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791073969 HPTSSFFWSCPZAF-OBJOEFQTSA-N 389.364 -1.233 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c1 1838736257 UBEPDHCNKVLDBM-SUMWQHHRSA-N 376.417 -1.758 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840019997 JZDNQJMCLONWLP-JNJICJOQSA-N 381.429 -1.318 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 810344333 PQDCSJIPDQRMCA-UHFFFAOYSA-N 397.457 -1.537 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)CCO1 1118330375 MGDBWGLXUSKMIZ-AAEUAGOBSA-N 378.385 -1.339 30 20 GAED C#CCN(C)CCCNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 1327850625 KWTRDGAAQDMPGJ-UHFFFAOYSA-N 396.469 -1.097 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013483 PTPWKEWXCFMVHW-STQMWFEESA-N 376.417 -1.044 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1792489835 YVQSCAJXRQIQKC-BEXDMUFCSA-N 381.429 -1.557 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793942004 RFSBUQCNOYTPJB-DGMCESFYSA-N 394.428 -1.235 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076696 OHFCUGODARGVKK-PASDCYSWSA-N 395.456 -1.796 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NC[C@@H](O)CN1CCOCC1)c1cc[nH]n1 276508054 ARXGPRCZHXPXDY-FTRNENOISA-N 383.405 -1.497 30 20 GAED C[C@H](CNC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(N)(=O)=O 551429554 VOOHQBMKNWPDGW-ZYHUDNBSSA-N 381.414 -1.274 30 20 GAED Cn1c(N)c(C(=O)CN2CCN(c3cnccc3C#N)CC2)c(=O)n(C)c1=O 584506279 OIOXZDIFNRXJIL-UHFFFAOYSA-N 383.412 -1.062 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092917738 JOPIVVPJRDJYGA-AGIUHOORSA-N 379.446 -1.030 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1118625401 WYQAZBSAJARORJ-UHFFFAOYSA-N 396.491 -2.346 30 20 GAED C#CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 1335689917 PTZSDEWGUCFVLM-UHFFFAOYSA-N 378.429 -1.614 30 20 GAED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588500163 RXIPGKZVVILDOO-HNNXBMFYSA-N 375.389 -1.175 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438722 SGXWAWSRXFISMB-XLMAVXFVSA-N 379.457 -1.054 30 20 GAED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CS(=O)(=O)C2 1795930060 NPYDUBNLSLBWIC-WDAIWFPHSA-N 378.410 -1.326 30 20 GAED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)C1 1800577510 PIKOWMRBLCJLJG-ALXJQNPVSA-N 381.473 -1.171 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831402207 QLQZQWGRXHTYLT-KSSFIOAISA-N 381.429 -1.253 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837503960 ZMBMDOIRABHLOQ-MAUKXSAKSA-N 396.396 -1.429 30 20 GAED CC(C)(C)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041482 OVLMFCRTFFAJNW-SFHVURJKSA-N 381.429 -1.081 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233888 NLOCIIKWCKWBTH-NSHDSACASA-N 385.384 -1.332 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)NCCOC)CC2)C1=O 264974088 JCNACKMBZXSZPK-UHFFFAOYSA-N 395.416 -2.130 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 750622163 TVZLSKGPRYZNMJ-UHFFFAOYSA-N 387.418 -1.048 30 20 GAED C#CCCN1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 804387521 CUFDBHIUSYMLMR-SCFUHWHPSA-N 388.428 -1.417 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1CCS(=O)(=O)CC1 862734513 KRHVQJCQOUJFJC-LLVKDONJSA-N 386.455 -1.013 30 20 GAED CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109925975 NOXCAEGQDIYJQZ-WOPDTQHZSA-N 376.417 -1.322 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)nn1 1118178298 MNVJJIUDTLTOEQ-UHFFFAOYSA-N 398.427 -1.077 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1261181272 SQEYRKWQKOXHRX-CYBMUJFWSA-N 377.463 -2.145 30 20 GAED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 1326260330 MLHUXOYPWZIKHY-ZDUSSCGKSA-N 384.396 -1.135 30 20 GAED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)CC(=O)NCc2cnn[nH]2)nc1 1575022652 RHEIBEDQJKRIDS-HNNXBMFYSA-N 385.428 -1.138 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588351294 NKDUDASYPNUHRE-QLFBSQMISA-N 398.427 -1.406 30 20 GAED Cn1c(N2CCN(c3cnccc3-c3nn[nH]n3)CC2)c(C#N)c(=O)n(C)c1=O 1592553359 OGOHKPJXXCFVAG-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813117 GPJPMPLBAAYGST-NHCYSSNCSA-N 391.340 -1.001 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840878958 XPJQMNFPSUXENK-KSSFIOAISA-N 380.397 -1.043 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 728533546 NLFBGIDTVJGENI-UHFFFAOYSA-N 398.423 -1.861 30 20 GAED C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N(C)C 919034272 OZJKNAGEYRWXDK-NSHDSACASA-N 396.425 -1.027 30 20 GAED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1128993895 XTFKQLBVZHRLBF-TUVASFSCSA-N 389.460 -1.164 30 20 GAED C#CCN(CC#CC)C(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1325274807 LGPBUBXWGJPZRZ-UHFFFAOYSA-N 383.470 -1.018 30 20 GAED C=CCNC(=O)NC(=O)CN1CC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588658427 JKMZFZOBZVGOBQ-UHFFFAOYSA-N 387.404 -1.037 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783566336 UGEUEHQMWRPECS-MLGOLLRUSA-N 384.410 -1.519 30 20 GAED CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793259462 XEFIKLWTUZVYTM-IVWMJMPLSA-N 379.413 -1.030 30 20 GAED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795522510 QHEXKSSECWNZAS-GUDRVLHUSA-N 381.391 -1.381 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797233712 BVNYFHGRHILOSK-VXIBKDFQSA-N 392.500 -1.138 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)CC1 1839870016 PAZZGJQXKOJGMG-UGSOOPFHSA-N 376.413 -1.117 30 20 GAED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042519 YSTPPCRTAVDKKM-SCLBCKFNSA-N 393.396 -1.779 30 20 GAED CN(C(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)[C@H]1CNC[C@@H]1O 423675202 IDPFZWJWQYEEIL-WFTYINRHSA-N 383.408 -1.350 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1=O 467679404 XIGVKKRNKGIXBD-LBPRGKRZSA-N 383.430 -1.363 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 509354391 JLQJBGBABPAYSD-FRRDWIJNSA-N 380.492 -1.447 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 968332787 JKSALAPKMSSZMU-KBXIAJHMSA-N 380.445 -1.961 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 1117059336 CRLVDBDUFOENMX-MRXNPFEDSA-N 391.516 -1.026 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1347038632 ICUVEVIGVVOXJK-GFCCVEGCSA-N 386.430 -1.034 30 20 GAED NC(=O)c1nccnc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779879797 SUMSMGHHZUWCHI-KRWDZBQOSA-N 387.352 -1.893 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1840841827 YBRFZZLIAUIIAG-KSSFIOAISA-N 381.429 -1.081 30 20 GAED C=CCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 57237903 XEEUIWPJYMVTKX-NSHDSACASA-N 395.441 -1.365 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)C1=O 372769525 PGTJXQXFAVCXAM-LLVKDONJSA-N 386.430 -1.108 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccn(CCN3CCOCC3)n2)C1=O 596034106 DCUFICOLNJLARU-UHFFFAOYSA-N 390.400 -0.869 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)CNC1=O 731008745 QCBUUHVIJVAHES-UHFFFAOYSA-N 379.398 -1.217 30 20 GAED COC(=O)c1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n(C)c1C 800813972 FNVZOLWLBZIGTP-UHFFFAOYSA-N 397.413 -1.170 30 20 GAED C#CCNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1108555651 UURZNULOFBVSCR-MPCCQONLSA-N 386.452 -1.440 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCCS1(=O)=O 1109527209 LKZSNWWASWAKNT-ILXRZTDVSA-N 382.486 -1.117 30 20 GAED N#Cc1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c[nH]1 1320721888 VZIZOZNHQAZYRK-ZDUSSCGKSA-N 379.442 -1.053 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCS(C)(=O)=O)CC2)c1C#N 1321945131 QLTLRDMNYWZSAM-UHFFFAOYSA-N 396.473 -1.200 30 20 GAED C#CCOCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1327475703 QUALHTUDXOLITJ-UHFFFAOYSA-N 386.408 -1.359 30 20 GAED N#CCCN(CCC#N)C(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1473297808 OPIWKZGKRGDZBF-GJZGRUSLSA-N 383.474 -1.582 30 20 GAED CN1CCN(C(=O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558847011 QGRJCJUIHLFEIV-UHFFFAOYSA-N 379.442 -1.385 30 20 GAED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793835998 DMDQXVISAMRIST-YWVIFJGQSA-N 384.458 -1.780 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800779039 MQFBPTIHNTVYNF-OXIQGZBJSA-N 384.410 -1.759 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435731 XXHDKNDVUOADKF-ZQNQSHIBSA-N 376.417 -1.138 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833123431 FCLOCVORSFJCAS-GOSISDBHSA-N 388.380 -1.437 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840043912 BCICOLVLEREUQU-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840165947 ORKMNKWLVXIKBF-PXAZEXFGSA-N 397.453 -1.314 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840448763 IKTYKLBGWJOKMA-KRWDZBQOSA-N 391.384 -1.787 30 20 GAED C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349459297 NDNRTFMHEMUCIG-NSHDSACASA-N 387.505 -1.390 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 943094778 HSKULRZLSJJQSF-YIYPIFLZSA-N 379.413 -1.028 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1783531026 HBLYYDCYTJAKTH-YSFHWQLDSA-N 392.456 -1.087 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2c(O)nnc2C1 349496704 PXJPAJGYPFADJT-JTQLQIEISA-N 392.463 -1.307 30 20 GAED COCCN(CCOC)S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 735083875 WYIDGZURFPOXRU-YPKPFQOOSA-N 376.435 -1.058 30 20 GAED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 806914783 ZJKCRQMEDLOCPL-UHFFFAOYSA-N 385.490 -1.848 30 20 GAED C#CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 819702394 YUHWKRIPDUMVJR-JTQLQIEISA-N 392.397 -1.174 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 969495936 XYVABCSHCQEPRG-XEZLXBQYSA-N 378.385 -1.622 30 20 GAED N#CCNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nn2)C1 1107185335 QRRFOCBBBFLYMP-NMNMXBMNSA-N 385.428 -1.186 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 1261450177 UGMZNDGDGGZUFA-VXGBXAGGSA-N 399.411 -1.351 30 20 GAED N#Cc1ccc([C@H](C(N)=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1319638233 VNZMPUXCKNRCAF-OWCLPIDISA-N 378.454 -1.140 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010509 LXPWPSRFLXDVOX-VEVIJQCQSA-N 394.428 -1.819 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnc1 1840039766 HGWDFRGMXLZPSL-RDTXWAMCSA-N 390.396 -1.012 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 468645480 OVKPSVURABVNRF-LBPRGKRZSA-N 394.409 -1.090 30 20 GAED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 595151223 PXOFSFPSQHGAIU-GFCCVEGCSA-N 377.426 -1.019 30 20 GAED C=C(CNC(=O)[C@@H]1CN2CCCN1CC2)CNC(=O)[C@@H]1CN2CCCN1CC2 620748806 ZLMGPNLSYMSTHO-ROUUACIJSA-N 390.532 -1.445 30 20 GAED CC(C)OCCS(=O)(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1642356760 SHYQYROYXHVIKA-UHFFFAOYSA-N 385.446 -1.178 30 20 GAED N=C(N)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601879 VLQAGQKIUWJSAP-BVFUMPBJSA-N 393.492 -1.079 30 20 GAED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800452122 VLBKPOAAAROREB-WDAIWFPHSA-N 378.410 -1.326 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 1261971853 YQLHZONTBJDFBY-UHFFFAOYSA-N 386.518 -1.058 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCC#Cc2ccccc2)CC1 1322988469 OVQZMKGKSILWCK-UHFFFAOYSA-N 392.481 -1.152 30 20 GAED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329383858 SEBHXZFGQDBBFL-KBPBESRZSA-N 383.474 -1.275 30 20 GAED C#CCNC(=O)CN1CCN(c2nnnn2CCCN2CCOCC2)CC1 1333687803 JJLJBNVWMNFWRU-UHFFFAOYSA-N 376.465 -1.733 30 20 GAED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1588505657 UJWXKRCLRVEQHJ-BFQNTYOBSA-N 375.389 -1.177 30 20 GAED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831190449 AZSLPUIZRMADRS-FZKQIMNGSA-N 395.412 -1.555 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831391057 FHXXXYFETGVXSY-CLCXKQKWSA-N 393.440 -1.240 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832814771 WFNDNNGZZJOCIK-SFHVURJKSA-N 390.396 -1.113 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)C1=O 329889612 DUXAHCAEOLYJLQ-UHFFFAOYSA-N 386.430 -1.154 30 20 GAED COC(=O)CNC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 551928553 IKEUGZMYLQVAAW-UHFFFAOYSA-N 382.398 -1.416 30 20 GAED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cn1 615633132 TXZATAGVVWQPNE-MRXNPFEDSA-N 379.396 -1.036 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)O)C1=O 833376172 PFYIYFGDFFUWQJ-NXEZZACHSA-N 381.341 -1.172 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 892335067 OZWABLILCLEYSG-UHFFFAOYSA-N 387.506 -1.108 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1OC 946822237 LWWPUVMOBKFPAP-YIYPIFLZSA-N 392.412 -1.118 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1001774996 VMXKAHBWHJJCLL-KBXIAJHMSA-N 392.456 -1.124 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 1108910828 YTEMFCGYTRQMQQ-RNJOBUHISA-N 376.421 -1.205 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 1261181340 UNQNNHQYCRCOMM-UHFFFAOYSA-N 389.474 -1.295 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351009 CHZPWMFACSVYCX-JSGCOSHPSA-N 386.416 -1.501 30 20 GAED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110807 JFFBDHSOAZRYFK-QHBPRCKVSA-N 385.384 -1.571 30 20 GAED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)CN3CC(=O)NC3=O)C2)CC1 1806696778 FZTYBLFLDBVXFP-UHFFFAOYSA-N 390.396 -1.143 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807713241 XYOAULRJQBLUKX-XSWJXKHESA-N 386.408 -1.102 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831328186 BJPZZSYYKOUTBL-CJNGLKHVSA-N 387.458 -1.596 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)CCC1 1836152324 SVEQLYHCASTVNJ-KRWDZBQOSA-N 389.416 -1.177 30 20 GAED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840042092 ZZINNTGBQTXFNM-QGZVFWFLSA-N 392.368 -1.535 30 20 GAED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349516415 CWZWWAMGKAQCMS-GFCCVEGCSA-N 380.492 -1.052 30 20 GAED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349585501 CYDUNYOYNLMYQX-GFCCVEGCSA-N 378.476 -1.154 30 20 GAED N#Cc1ccc(N2CCN(CC(N)=O)CC2)nc1N1CCN(CC(N)=O)CC1 472350568 NYJAUDBOTANKSN-UHFFFAOYSA-N 386.460 -1.832 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 509408627 ARSRACVEMJSPJR-CYBMUJFWSA-N 387.462 -1.532 30 20 GAED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)C2)s1 594637138 RYTVDYLNDFOCFU-UHFFFAOYSA-N 393.472 -1.092 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 728570983 RJGKOAUXXUIPMD-INIZCTEOSA-N 377.489 -1.129 30 20 GAED C#CCN=c1nc(N2C[C@@H](CO)OC[C@@H]2C)[nH]c(N2C[C@H](CO)OC[C@@H]2C)n1 804557479 PZSPTEUZKVYXON-ZQDZILKHSA-N 392.460 -1.489 30 20 GAED CN1CCN(C(=O)CN2CCC(N(C)C(=O)Cn3cnc(C#N)n3)CC2)CC1 1324087815 MBSFVVYHELYBOZ-UHFFFAOYSA-N 388.476 -1.153 30 20 GAED C=CCN(C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H](C)COC 1327919839 OHIIVUQFPBALDJ-AWEZNQCLSA-N 390.506 -1.271 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836150409 PZBBHBUCAVOLRB-OAHLLOKOSA-N 378.345 -2.783 30 20 GAED COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043919 CCNJVGDAVKBOMS-MRXNPFEDSA-N 383.357 -2.113 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832693428 JSLCWWLFQIAQBD-ZBEGNZNMSA-N 379.373 -2.045 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1=O 569875297 LYGVONIKHPZMMZ-CABCVRRESA-N 393.488 -1.065 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(CC(=O)O)C2=O)CC1 1573327883 XMTWYZFUAWUZID-CQSZACIVSA-N 378.429 -1.407 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103903 DMBSAEYNVGXWKB-GTIBRMFWSA-N 383.449 -1.369 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1783562922 SFSZMDRODSUZLB-MRXNPFEDSA-N 376.325 -1.581 30 20 GAED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834634592 MNFIYIQFVWOCHZ-UHFFFAOYSA-N 378.429 -1.266 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835859420 WTRCLJQUMKQRGY-INIZCTEOSA-N 378.341 -1.727 30 20 GAED CCn1cc(C#N)c(=O)n(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1=O 71918154 OIQVFIHEKFCXTN-UHFFFAOYSA-N 385.384 -1.261 30 20 GAED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444528818 ZHSJLWYYGQJTGQ-ZDUSSCGKSA-N 387.444 -0.453 30 20 GAED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCO1 1324665587 CGGWZCNXVLXJTE-IKGGRYGDSA-N 378.473 -1.194 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 1325601264 UQQXSPQFOFKBMN-STQMWFEESA-N 386.474 -1.371 30 20 GAED N#Cc1nc(N2CCN(C(=O)CN3CCOCC3)CC2)cnc1-c1nn[nH]n1 1592706280 HZIVZURXQOSLFH-UHFFFAOYSA-N 384.404 -1.491 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602721657 RQPSLBQMXFTWFP-OLZOCXBDSA-N 385.432 -1.593 30 20 GAED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cn1ccnn1 1642300931 MNNGTFXIHYTDGX-LLVKDONJSA-N 378.414 -1.116 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](C)C1 1757077105 GWIBAVXQZDVPKK-SYQHCUMBSA-N 388.490 -1.063 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793342299 CKIHJOQTGAIWQI-HAFSJTIUSA-N 381.429 -1.323 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CC1 1835346855 XJYFMOUFVULDRK-UGSOOPFHSA-N 376.413 -1.117 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1836491036 ZCQJNJQXEFWDQC-FEJSRNTDSA-N 393.444 -1.559 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2 1836769619 SEWIMAYHGGPKBC-IBGZPJMESA-N 392.456 -1.760 30 20 GAED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[nH]1 1840039816 IMASTCVTJYWKFX-QGZVFWFLSA-N 376.369 -1.124 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)OCC)CC1 728590235 XYFDODWHFVRUCV-AWEZNQCLSA-N 386.474 -1.374 30 20 GAED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 791329449 FCVAOPUGKCJETE-OCCSQVGLSA-N 380.488 -1.025 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)C(=O)N(C)C)CC2)c1C#N 1342734914 PKYYIDWAMHBCCA-LBPRGKRZSA-N 375.433 -1.158 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588723421 MXBYAJZKXMAYOE-BREBYQMCSA-N 375.389 -1.007 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840044177 OUFVUXRRINMHTQ-UGSOOPFHSA-N 393.396 -1.943 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 468652287 HJUKOCHRWSFWOQ-CYBMUJFWSA-N 394.409 -1.008 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 728609013 ZHBQYRIXYNHVOD-UHFFFAOYSA-N 384.444 -1.241 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1117436085 DXBWUASUGNAHRV-CQSZACIVSA-N 387.458 -1.595 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 1118249895 KOGLKVCGDIPQLU-CZUORRHYSA-N 384.458 -1.110 30 20 GAED N#Cc1cn(CCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=O)nc1O 1463723604 QOTKKDDYDCZNLL-CYBMUJFWSA-N 395.441 -1.458 30 20 GAED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787272541 GLYPWYDETUXFMQ-OBJOEFQTSA-N 399.411 -1.181 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1797589989 YTQORMLPCXPORP-BZNQNGANSA-N 375.447 -1.041 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1831387183 DZXQKXXDJCYVGP-QMTMVMCOSA-N 395.456 -1.007 30 20 GAED NC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098442 LHZRKLJOVQWRBV-FXAWDEMLSA-N 386.452 -1.220 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835519308 UFSFYENBUSGXGA-FDVMBTMHSA-N 394.472 -1.104 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)nc1 595988671 QBTQTYMOIGWFQR-HUUCEWRRSA-N 397.439 -1.628 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cccc(-c3nn[nH]n3)c2)c(=O)n(C)c1=O 822684562 BGINJCYLDBDLTP-UHFFFAOYSA-N 390.385 -1.424 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1320023414 WLRBFCIYYYVPEC-LLVKDONJSA-N 391.471 -1.131 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1=O 1588832719 WMEUMHVATUHUPJ-QGZVFWFLSA-N 394.384 -1.649 30 20 GAED C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1754855301 MSKRUOHGQUQYSY-MFWIUYSUSA-N 379.457 -1.270 30 20 GAED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779086258 DSJROPYNUKOAPY-HKUYNNGSSA-N 377.441 -1.120 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797614595 XYMNVJXYIMQMIN-XATWSRGASA-N 375.381 -1.501 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1834769085 ZOPXTHDOZDLRCT-QGZVFWFLSA-N 376.369 -1.719 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1840173610 IDVLHHHNDFQUSD-AEFFLSMTSA-N 383.445 -1.331 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)c1cc[nH]n1 279049149 APWGZJPJMVRGHZ-GKXUUXLPSA-N 392.372 -1.106 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)CCO1 409598099 XBQCTXLVHPZQFL-LBPRGKRZSA-N 380.430 -1.228 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(N)=O)C(=O)C2)c1 565938362 LYAFXGBUNTXTIW-UHFFFAOYSA-N 379.398 -2.007 30 20 GAED CCS(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 767388589 URYHHLMCQALHDZ-UHFFFAOYSA-N 399.429 -1.014 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 1258234748 HLQADPNZZBBOFA-UHFFFAOYSA-N 378.462 -1.127 30 20 GAED C#CCNC(=O)C1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1344718307 NXKMKGNOZGXKHY-UHFFFAOYSA-N 386.412 -1.578 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831391527 PSAFCLPXCPAUBQ-KSSFIOAISA-N 381.429 -1.431 30 20 GAED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1837559943 FMYYGXVSZNLYDQ-MGABJAEBSA-N 381.385 -1.534 30 20 GAED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041282 CAFQAZYXMWOVSW-OAHLLOKOSA-N 388.398 -2.425 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1840173612 IDVLHHHNDFQUSD-SJLPKXTDSA-N 383.445 -1.331 30 20 GAED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 552010564 HFUCJHKYUUUDLN-UHFFFAOYSA-N 388.453 -1.535 30 20 GAED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)NCC#N)CC1 1323123030 YCNYPFFVPMGLQZ-UHFFFAOYSA-N 386.412 -1.231 30 20 GAED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 1328149719 LYZZLHHVXUXDQL-UHFFFAOYSA-N 396.411 -1.426 30 20 GAED N#Cc1ccc(NCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)nc1 1584464929 IUJPOCLBSYEWLS-KBPBESRZSA-N 379.442 -1.021 30 20 GAED Cn1c(C#N)ccc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1586759106 JOKYXAMGJLHVDW-ZDUSSCGKSA-N 393.469 -1.042 30 20 GAED CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1629571363 KTVGLWPLCCWTIR-GFCCVEGCSA-N 376.417 -1.121 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797800668 HONMTCQPZJQEJM-RUEZSYAVSA-N 397.472 -1.182 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837515621 XTDVMHLNCQCPME-SJLPKXTDSA-N 396.444 -1.603 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1840040265 SRPCJQYKRANDER-HNNXBMFYSA-N 380.382 -1.304 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC)C1=O 460496939 ZZCRLRPWZXYRQA-VIFPVBQESA-N 387.370 -2.238 30 20 GAED CCO[C@@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H]1CN 593783299 XNBUVXBZXIMUGC-BXUZGUMPSA-N 377.449 -0.923 30 20 GAED C=CCS(=O)(=O)CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 782987050 IIGREUVDADYYGJ-UHFFFAOYSA-N 375.494 -2.001 30 20 GAED CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777115 DMFXURWBDDDMRH-KOFHJDLBSA-N 379.413 -1.031 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840039973 KYHAUONJYNFDSW-KRWDZBQOSA-N 390.352 -1.660 30 20 GAED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(F)c1 269294943 ABXGRIBQAWRXIE-UHFFFAOYSA-N 386.347 -1.007 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1O 1023942946 WMAJPQGHWLIEID-YFCNSXCBSA-N 380.401 -1.793 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1836490790 KHOAWJMUBDFMCA-LFFOTJSSSA-N 396.492 -1.800 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1840043837 WQGHZDVOEUVCNB-GDZNZVCISA-N 381.385 -2.746 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1840171940 IDSUYCYJHCNBCA-SJKOYZFVSA-N 380.401 -1.383 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1=O 268262152 SYDUFDZVEOWAJV-SNVBAGLBSA-N 376.373 -1.168 30 20 GAED C#CCNC(=O)C1CCN(Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)CC1 747796238 NLPYTRRHSDIJPB-UHFFFAOYSA-N 387.440 -1.037 30 20 GAED O=C(N[C@H]1CCCN(O)C1=O)c1cc(C(=O)N[C@H]2CCCN(O)C2=O)[nH]n1 854649088 PURUZQJSBJHGFR-IUCAKERBSA-N 380.361 -1.370 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCN2CCN(C)CC2)CC1 866810765 CLXSSABCEGAYMA-UHFFFAOYSA-N 399.561 -1.289 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1220357436 JDWSJOCXVZPJSP-LOWDOPEQSA-N 381.433 -2.116 30 20 GAED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)OCc2cnn[nH]2)CCCO1 1575004886 OTKPYXAFYOVSIG-HIFRSBDPSA-N 378.433 -1.334 30 20 GAED C#CCN1CCN(C(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(CCO)c2=O)CC1 1588353327 OCJLMHZLGVFTEI-UHFFFAOYSA-N 388.388 -3.040 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 1588354436 MZRQVAORFWAVME-UHFFFAOYSA-N 390.429 -1.683 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1792488587 JGFSEIPRXMOZGF-CYLMYCJOSA-N 389.416 -1.879 30 20 GAED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1814928217 RRKLWAJJCHYMRB-VIFPVBQESA-N 390.425 -1.017 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 349453979 BDZUSAFZEVMOSQ-RYUDHWBXSA-N 399.516 -1.199 30 20 GAED COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594538981 GFPDZVUGOWDHOD-JOYOIKCWSA-N 391.427 -1.311 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCNC(=O)C1 767626119 GCEKPPGDHMNMFY-NSHDSACASA-N 394.409 -1.273 30 20 GAED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C)[C@@H]1CCCO1 848964337 OZVWUSBONNUXPR-RYUDHWBXSA-N 391.475 -1.531 30 20 GAED CCOCCN1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1323421858 TUZFCLBCTBVKIB-FOCLMDBBSA-N 393.444 -1.190 30 20 GAED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1341316860 VJYAPLSFACLLDE-GFCCVEGCSA-N 383.478 -1.004 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1343080063 LLWJYOCPVFAMBQ-GFCCVEGCSA-N 380.401 -1.877 30 20 GAED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351161 HCDULVQBRRRAKJ-OCCSQVGLSA-N 386.416 -1.501 30 20 GAED C#CCNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353527 VZCOFWYEHVYIGQ-DIFFPNOSSA-N 386.416 -1.501 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793358195 VTZGBCWLWRHANC-RPUYLAQPSA-N 397.472 -1.182 30 20 GAED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840160115 XHZJUKIMVAQXCX-MKBNYLNASA-N 388.490 -1.646 30 20 GAED CCN1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC)C[C@H]1C#N 602358237 SCYDWUHCSDLFBB-ZACQAIPSSA-N 393.488 -1.009 30 20 GAED C[C@@H]1CC[C@H](C(=O)N2CCN(CC(=O)NCC#N)[C@H]3CS(=O)(=O)C[C@H]32)O1 1108482265 ZEIWQSAXFJTLRL-XJFOESAGSA-N 384.458 -1.497 30 20 GAED C#CCN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1573321498 YEXBEVAFAVLCGX-UHFFFAOYSA-N 379.394 -1.033 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1783558343 XGIYHDYCHCKGEL-INIZCTEOSA-N 378.341 -2.544 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)CC1 1786695374 XRNVNJMLMTUNHR-CYDGBPFRSA-N 389.412 -1.132 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1791076735 GRFLXQGAQYFMKQ-WSMBLCCSSA-N 395.412 -2.295 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1797708331 RVOXNFDQUUVSPP-QVHKTLOISA-N 378.433 -1.164 30 20 GAED C=CCN(CC=C)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 297389491 BGTXAYRKGGTXAD-UHFFFAOYSA-N 378.429 -1.283 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(S(=O)(=O)CC)CC2)C1=O 536012008 JPHHMBREIOJALR-UHFFFAOYSA-N 386.430 -1.107 30 20 GAED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1CCCO1 773562273 WRTGXYGZOLFEDK-CVEARBPZSA-N 399.517 -1.013 30 20 GAED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2)cc1 1327222086 QTARRBJAUODNKG-CQSZACIVSA-N 383.364 -1.090 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588355034 CLMXPJFDRAJFKD-APPDUMDISA-N 387.400 -1.074 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588722507 YLWIHTFUUDLNEA-WZRBSPASSA-N 375.389 -1.007 30 20 GAED N#Cc1cn(CC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c(=O)nc1O 1631725573 UKBQEDUIITWOHZ-UHFFFAOYSA-N 395.441 -1.458 30 20 GAED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1777823721 WXDBCILQQFEHME-SJKOYZFVSA-N 385.384 -1.427 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)CCC1 1783261689 HIRMOJMSJIXJPK-IBGZPJMESA-N 394.472 -1.203 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1800777124 FKECFWJXMMQEMV-NOXHYTERSA-N 381.385 -2.685 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O 266412813 GWVGAIPNCCJXGE-LBPRGKRZSA-N 378.345 -1.291 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1O 1023942569 DAKGPQLSUXNXQW-JLNYLFASSA-N 379.417 -1.749 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831397561 SKEHUJQNUVZEGF-FPXQBCRKSA-N 395.456 -1.796 30 20 GAED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@H]1C 349526939 UPWYSZHNWTWHBH-VXGBXAGGSA-N 380.492 -1.006 30 20 GAED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 859180465 GMTGBYIWSLPRBD-UHFFFAOYSA-N 387.509 -1.333 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)C1=O 1588654290 CXEHDIFPBTUSMV-NSHDSACASA-N 388.388 -1.236 30 20 GAED CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797929635 QDOYWVYRAHPGFE-JRATXPSKSA-N 379.413 -1.031 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829833381 XRIJTXDSSKIXJZ-SJLPKXTDSA-N 392.364 -1.143 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 811833687 NAOUYWDSCHKJJU-UHFFFAOYSA-N 379.394 -1.287 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 1602721395 HVPLCDJMGPFISW-JSGCOSHPSA-N 385.432 -1.015 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835736270 PPQZLUBXINARMS-DNVCBOLYSA-N 392.456 -1.551 30 20 GAED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839216283 LGBILECZLDJSSK-UGSOOPFHSA-N 393.396 -1.848 30 20 GAED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041850 KPGVUXLHHQVLFD-YVEFUNNKSA-N 396.400 -2.022 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918208 MKJHKQNNNICKCO-CXAGYDPISA-N 382.417 -1.851 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCn1c(O)nnc1O 1109470970 QFFXRWHJVGCAEO-WOPDTQHZSA-N 377.405 -1.169 30 20 GAED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 1221812023 VJUMKFLLVYFDAQ-LVQVYYBASA-N 376.457 -1.096 30 20 GAED CCOCCOC1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1322694592 OMZOODLQMWMEIJ-CCEZHUSRSA-N 380.401 -1.107 30 20 GAED C#CCN1CCC(c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C)CC1 1345059283 GIMOQDWYTOLQEB-UHFFFAOYSA-N 398.475 -1.037 30 20 GAED C#CCNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286122 UNDZFCKUPSXAOU-RYUDHWBXSA-N 386.416 -1.237 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1 1588352440 KQOHQRBXMMQOSR-STQMWFEESA-N 385.432 -1.015 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793346506 SINGGFSOEFSMDE-ZXFNITATSA-N 388.424 -1.129 30 20 GAED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564107 HJSXVOLSPZWXIH-KXBFYZLASA-N 394.472 -1.161 30 20 GAED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040337 VICGORRDZYTDFX-QAPCUYQASA-N 382.413 -1.062 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840345148 YQHSATGTZJJLRK-ZMXQLYDGSA-N 388.380 -1.033 30 20 GAED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NCC#N)CCS1(=O)=O 349501538 UKZSIJBPGSVEEK-MNOVXSKESA-N 387.505 -1.343 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600762678 ZFBBCXHHZASUAG-SRVKXCTJSA-N 389.455 -1.055 30 20 GAED C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H](OC)C2)CC1 946789337 HXTGGIORVRDWDT-QKPAOTATSA-N 376.457 -1.205 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(=O)N(C)C)CC2)c1C#N 1257212535 HQGCJOQBFQXVRP-UHFFFAOYSA-N 375.433 -1.157 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(NS(=O)(=O)CC)CC1 1323779745 IEJFVSOCRCHQOI-UHFFFAOYSA-N 395.503 -1.366 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 1324436017 GWVRPJRTFKTCGH-UHFFFAOYSA-N 399.455 -1.067 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1=O 1325601261 UQQXSPQFOFKBMN-CHWSQXEVSA-N 386.474 -1.371 30 20 GAED N#CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 1342074151 BCCMHPHSIPSSHJ-UHFFFAOYSA-N 385.490 -1.074 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1349337469 XGTXRFNUBWZBGM-SFHVURJKSA-N 391.428 -1.843 30 20 GAED C#Cc1cncc(C(=O)NC[C@H](CO)NC(=O)CC(=O)NCc2cnn[nH]2)c1 1575033164 VXURTKHBICSMSW-CQSZACIVSA-N 385.384 -1.906 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC)CCO2 1834966026 FKXKVXHWJFFVGB-PYTPGESOSA-N 381.429 -1.052 30 20 GAED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1F 267391830 OZNKREJANYEAQX-UHFFFAOYSA-N 386.347 -1.007 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C(N)=O 568415373 QVERZCRWIZRRNX-SNVBAGLBSA-N 398.532 -1.169 30 20 GAED C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCS(=O)(=O)C1 619565312 AKPDERNQDSAIRQ-LLVKDONJSA-N 395.441 -1.365 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092918435 YGHYEORCLPIWMY-MDZLAQPJSA-N 379.446 -1.030 30 20 GAED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1118180731 SYRVPRODHRSESU-LSDHHAIUSA-N 377.445 -1.202 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1328816031 ORRCPCZVQAAAEJ-CHWSQXEVSA-N 377.463 -1.092 30 20 GAED N#CCSCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1581858617 NPKXGULDBLIWIH-KOLCDFICSA-N 375.418 -1.031 30 20 GAED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658252 DOPBMJRLUMDYRT-UHFFFAOYSA-N 375.393 -1.084 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)O)CC[C@@H]2C(=O)OC)C1=O 1602894446 CSOUVBCYHAGCSB-NXEZZACHSA-N 381.341 -1.172 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840040749 WISULIVJZMTVRI-SJLPKXTDSA-N 392.364 -1.143 30 20 GAED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846195667 PGIHHRLWXZGJIJ-UHFFFAOYSA-N 397.453 -1.051 30 20 GAED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 527828289 LWHSMRGELOXFBZ-LLVKDONJSA-N 396.429 -1.189 30 20 GAED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 572752172 JIGIZPKMWMAVIP-UHFFFAOYSA-N 382.398 -1.118 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)c1cc[nH]n1 772349139 ZXQYELPEVINUEO-SNVBAGLBSA-N 378.345 -1.544 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 798325026 NPQVGYXIXXOWBC-UHFFFAOYSA-N 382.417 -1.020 30 20 GAED C#CCN=c1nc(N2CCn3nncc3C2)[nH]c(N2CCn3nncc3C2)n1 848747637 PJOQPLCQNCYSEM-UHFFFAOYSA-N 378.404 -1.438 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 848961385 XPBPPEKVMSJRQU-UHFFFAOYSA-N 390.487 -1.295 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1110271396 YTEMFCGYTRQMQQ-LPWJVIDDSA-N 376.421 -1.205 30 20 GAED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 1189117824 ODCXSTHCYYVAJE-XUWVNRHRSA-N 376.457 -1.096 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1220034202 OOXMSRAKNZKWBB-OHYMCPICSA-N 378.429 -1.417 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[C@@H]1CCCO1 1329627180 UHVSIOKTZGHJCV-GJZGRUSLSA-N 378.429 -1.120 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786885229 SXBCDSXWXPQOOP-CWVYHPPDSA-N 394.472 -1.403 30 20 GAED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795082684 ZRNQFWFPPZBIHB-HLPPOEQASA-N 381.385 -1.016 30 20 GAED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213202 LVNWXCKCPIVGPL-QGZVFWFLSA-N 384.454 -1.099 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1835756845 PDAGYGHWPRHZIG-UGSOOPFHSA-N 394.428 -1.191 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(S(N)(=O)=O)CC3)CC2)o1 514098744 GJJOJVKDCNBKFX-UHFFFAOYSA-N 397.461 -1.676 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 619707098 RPRUKELWMADFGH-UHFFFAOYSA-N 383.496 -1.483 30 20 GAED CN1CCC(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)(N2CCOCC2)CC1 1118161764 DGUJIULXBFOQJC-LJQANCHMSA-N 393.488 -1.224 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1120386875 HQNWRXRRHKFOAY-NWDGAFQWSA-N 392.441 -1.311 30 20 GAED C=CCNC(=O)CN1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 1588659547 OMCKJRRFEYYBOI-UHFFFAOYSA-N 389.420 -2.312 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831394055 TYTAIYROJIRQCH-GUYCJALGSA-N 377.401 -1.087 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831402767 QYNFZSIRVJECJI-DYVFJYSZSA-N 382.417 -1.851 30 20 GAED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(=O)C(=O)O 1835362218 GUQBTGUKRPNQDV-KRWDZBQOSA-N 396.400 -1.710 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839810766 QZSSYCONNWDGTO-AWEZNQCLSA-N 377.319 -1.246 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841958278 WDLVDODGCWVNEZ-RXNFCKPNSA-N 389.412 -1.354 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 595988065 NQUAXLCJUXTBJE-JKSUJKDBSA-N 396.451 -1.023 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCO1 603417571 JEDRIQZUCLNUTI-CVEARBPZSA-N 387.506 -1.158 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC3(CNC(=O)O3)C2)cc1 848938489 FQZDHHPLBNZFSR-UHFFFAOYSA-N 386.411 -1.029 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 848960774 IPCLCOZJXXLRSE-ZDUSSCGKSA-N 390.487 -1.295 30 20 GAED C[C@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)n1cnc(C#N)n1 854833769 USLDJDDMRWXMNW-SNVBAGLBSA-N 389.463 -1.173 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)nn1 964278922 NTRIANTWVWZXJU-VZZFWQQMSA-N 392.416 -1.811 30 20 GAED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)n1 1041346314 DQNJOLWPNRBXKL-TUVASFSCSA-N 388.428 -1.042 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@H]1CCCO1 1116669646 HDPGKKPCNQAOMB-HUUCEWRRSA-N 390.444 -1.204 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1323781773 XKKWUUMQYPBLGR-LBPRGKRZSA-N 395.503 -1.509 30 20 GAED CN1CCN(C(=O)C2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)CC1 1329446897 GDQMBLHMUMUGTM-LJQANCHMSA-N 391.472 -1.124 30 20 GAED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 1602722289 KIBMGSKAFHTNPE-ZDUSSCGKSA-N 386.416 -1.235 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1792485950 YCZCVDNCQWVPOY-IEWDVVTQSA-N 388.428 -1.123 30 20 GAED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793836002 DORRXQKMIOHNAA-XOIINTDNSA-N 398.485 -1.390 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801118279 ZDYDUSOEIIRZCQ-FLTUCWPJSA-N 389.408 -1.461 30 20 GAED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834331551 LUCZZWQHDMHUOW-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 546003263 NTCKWWOPCZPXIZ-UHFFFAOYSA-N 398.383 -1.137 30 20 GAED C#CCN=c1nc(N2CCN(C)C(=O)[C@@H]2C)[nH]c(N2CCN(C)C(=O)[C@H]2C)n1 804624285 MKJKKSDFTASSGJ-BETUJISGSA-N 386.460 -1.328 30 20 GAED C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1NCC(=O)NCC#N 1215198597 IFPOLAKHWRMUQV-VQHPVUNQSA-N 393.488 -1.058 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 1327402637 HTWWKOCWIZUMBO-UHFFFAOYSA-N 389.474 -1.201 30 20 GAED N#CCN1CCN(C(=O)CS(=O)(=O)CC(=O)N2CCN(CC#N)CC2)CC1 1329897000 BAPKEDNFJYKLNE-UHFFFAOYSA-N 396.473 -2.263 30 20 GAED Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)cn1 1352334467 HXKKSGMXPOYZBZ-ZFWWWQNUSA-N 385.428 -1.160 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1793343915 BJCUUIZGIMGFNP-RKOFLFEYSA-N 395.456 -1.235 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839663170 FBBQHCUQLUXMTR-QGZVFWFLSA-N 375.385 -1.387 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 490879521 UUNANEJZSIOXKC-ZWNOBZJWSA-N 391.409 -1.012 30 20 GAED C=CCNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823919987 VSEMPVJMLFRXSC-SNVBAGLBSA-N 393.429 -1.048 30 20 GAED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)C(O)O 1783865513 HCBGAVUSZMHNHY-KKUMJFAQSA-N 380.441 -1.025 30 20 GAED C[C@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(F)(F)F 1800773972 MMSMJSKDZFDZKA-NVVZYBJKSA-N 378.303 -1.023 30 20 GAED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830631161 AKUUSVDVOLXCNM-MAUKXSAKSA-N 382.413 -1.062 30 20 GAED CN(C)c1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 348335728 BPCKHGMNLQMHHG-UHFFFAOYSA-N 377.452 -1.212 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 728530826 VHOKBKKNWSZREH-UHFFFAOYSA-N 396.473 -2.100 30 20 GAED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c1 990951841 HBFRCVGNBYEKKZ-QXSJWSMHSA-N 393.407 -1.042 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC(N)=O)n[nH]1 1130237799 FATOBCJXHREAGO-RNJOBUHISA-N 378.433 -1.041 30 20 GAED CCOCCOC1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1322694596 OMZOODLQMWMEIJ-PFONDFGASA-N 380.401 -1.107 30 20 GAED C#CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588354148 HATSUSUMYDAZMG-BXUZGUMPSA-N 386.416 -1.237 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089295 LWADBQRYZOAIEE-QPSCCSFWSA-N 376.417 -1.309 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793354572 BVBNDFXQTTVNJR-NFFDBFGFSA-N 394.428 -1.281 30 20 GAED C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797902526 YSLHQAVRZRJSMF-JFILPPLUSA-N 375.385 -1.408 30 20 GAED C/N=C(/NCC(=O)NC1CC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261687557 DSAWAXSNJCWKDO-UHFFFAOYSA-N 384.462 -1.024 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349524654 QGNHDNHLTHALRC-GFCCVEGCSA-N 378.476 -1.202 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1O 970711388 FEMDXFKGUPSVCP-MQYQWHSLSA-N 392.412 -2.174 30 20 GAED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1208051403 KPFMUVMMTRVKQQ-VQHPVUNQSA-N 393.488 -1.058 30 20 GAED C=CCn1cc(CNC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)nn1 1328081043 NREDDRNZXHUDDH-CYBMUJFWSA-N 377.449 -1.216 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 1341183020 RONLMCKQPZXVCS-HOTGVXAUSA-N 376.457 -1.046 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3ccc(C#N)cn3)CC2)c(-c2nn[nH]n2)c1=O 1581747663 DVBIRKPNBFZNBJ-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779316350 COJCPRSEOWTWHK-DYVFJYSZSA-N 381.385 -1.945 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781312734 CEQANBHDNJZYRU-DDKKJVIOSA-N 381.429 -1.316 30 20 GAED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783896391 ZAHQMLLZPFCMIP-CZUORRHYSA-N 375.491 -1.579 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832483297 WNBTXBXPSHMAMT-KRWDZBQOSA-N 380.401 -1.429 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076871 TVXQZOOPNUTBAT-IUVQAAGXSA-N 397.472 -1.243 30 20 GAED Cn1c(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C#N)c(=O)n(C)c1=O 52474028 SGOBACVDVYVPSZ-UHFFFAOYSA-N 388.384 -2.247 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)nn1 424538676 DHXLGISGFNCQTO-AWEZNQCLSA-N 375.433 -1.497 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 1117587488 VNWTXMCUEWMUBT-UHFFFAOYSA-N 388.475 -1.514 30 20 GAED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 1326471939 FOOKGLFGDIDPCA-MRXNPFEDSA-N 383.474 -1.416 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797963530 GZEUBDLTTVPIME-FMPTWSOUSA-N 395.456 -1.235 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)CC1 1835344559 KNMDALLKACFEQW-QGZVFWFLSA-N 375.385 -1.378 30 20 GAED CN1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)CC1=O 349465755 PEQTVFHFDSPYNS-LLVKDONJSA-N 396.516 -1.291 30 20 GAED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 842175061 MVASRQFNQFCQJR-HNNXBMFYSA-N 399.455 -1.096 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c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n1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)O)C1 1602901540 OEMLRPUZVJFQAL-IJLUTSLNSA-N 392.416 -1.197 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781041590 BYDZRFMUEIUKLB-BSPJFRGUSA-N 392.456 -1.603 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1791076455 FSOIMBBUNBWFQV-AVGNSLFASA-N 398.379 -1.194 30 20 GAED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1801986824 JJWWWYXNIHLEMZ-ZSBIGDGJSA-N 385.380 -1.034 30 20 GAED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c1 1838906066 ODEPLMWBFSBGQC-LPHOPBHVSA-N 387.440 -1.086 30 20 GAED C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349503166 KSKHXGUYJGDZJD-GFCCVEGCSA-N 391.475 -1.452 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2C)CC1 410715874 QLLYXNKCNJQRSW-AWEZNQCLSA-N 379.461 -1.488 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCn3cncn3)CC2)C1=O 487558460 KVXPYFJYFTZLQD-UHFFFAOYSA-N 375.389 -1.601 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1O 970712157 WJCYTVFKVWXSDS-MQYQWHSLSA-N 379.413 -1.196 30 20 GAED C#CCNC(=O)CN1CC(N2C[C@@H](NC(=O)CCCc3cnn[nH]3)CC2=O)C1 1575005258 YVHZCFYYTOTFKK-AWEZNQCLSA-N 387.444 -1.722 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C(=O)O)cnn2C)CC1 1588840077 YTUWGRCKFHHMIU-UHFFFAOYSA-N 378.389 -1.497 30 20 GAED CCNC(=S)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782645075 BBSMTPWHVFDMHB-MRXNPFEDSA-N 382.442 -1.612 30 20 GAED C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)OC 481784132 HBBHYNMECIMSBR-XQQFMLRXSA-N 388.442 -1.118 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 600763883 MVFRDUZGAMMETO-XDTLVQLUSA-N 375.428 -1.397 30 20 GAED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CC(N)=O 772317289 UTGSITGHJLORNV-UHFFFAOYSA-N 384.421 -1.503 30 20 GAED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 791420945 VSLLOMYCAJQLGU-UHFFFAOYSA-N 378.520 -1.161 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 848960773 IPCLCOZJXXLRSE-CYBMUJFWSA-N 390.487 -1.295 30 20 GAED C/N=C(/NCCN1CCOCC1)NCCN1CCN(S(C)(=O)=O)CC1 849066574 FWPGKLWIBGVZBS-UHFFFAOYSA-N 376.527 -1.939 30 20 GAED CN(C)CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCS(=O)(=O)C1 1149108881 PZLATUUEOWLAAU-CYBMUJFWSA-N 397.457 -1.212 30 20 GAED CCN1CCN(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C(=O)C1=O 1515068677 ZHOJKVABYBZWOO-NSHDSACASA-N 384.414 -2.357 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573287958 QSLUZRMDUAIAPE-GTNSWQLSSA-N 387.400 -1.074 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783931473 IEPRITBRJARUGH-SJORKVTESA-N 382.369 -1.480 30 20 GAED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797929637 QDOYWVYRAHPGFE-KOFHJDLBSA-N 379.413 -1.031 30 20 GAED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[C@H]1CCCO1 773561778 RNEIIJKWRAZCJM-HUUCEWRRSA-N 378.429 -1.120 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1128993829 USYDBPHHCZHKOA-TUVASFSCSA-N 387.444 -1.716 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830055656 BTCDUTFVKAGHMB-INIZCTEOSA-N 377.405 -1.321 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/CCc3ccn(C)n3)CC2)CC1 329529723 UAFJZDOEBHLNBY-UHFFFAOYSA-N 399.521 -1.014 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1O 1023960241 DZOGQYAGTHULMF-ZRJCITRHSA-N 392.412 -1.231 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1O 1025710471 QSQXQVDZVYNWQF-LPWJVIDDSA-N 380.401 -1.793 30 20 GAED CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1332037219 MQIFJAKPISHYPS-OAHLLOKOSA-N 376.461 -1.535 30 20 GAED N#Cc1nc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cnc1-c1nn[nH]n1 1592706338 QNJHZZWIGUEZHC-UHFFFAOYSA-N 396.371 -1.674 30 20 GAED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790574335 CRGUQZZOMRJXHI-AVGNSLFASA-N 396.469 -1.462 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837397114 MTGUMDZWMPFMRK-DEYYWGMASA-N 384.477 -1.698 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1=O 269700092 YHJNDJGDRQREEI-UHFFFAOYSA-N 391.428 -1.270 30 20 GAED COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 409507269 IGUYHLNEDFPCCE-RYUDHWBXSA-N 376.435 -1.251 30 20 GAED COC(=O)CN(CC#N)C(=O)[C@H]1CC[C@H](C(=O)N(CC#N)CC(=O)OC)O1 427472229 DXPKNEMEFWMTTF-VXGBXAGGSA-N 380.357 -1.416 30 20 GAED C#CCNC(=O)C1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 747822839 HCLBTRCAMMUAFF-LLVKDONJSA-N 375.429 -1.301 30 20 GAED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC(CO)CO)c1 749666481 SPFIKYGWRKBHSM-RGEXLXHISA-N 398.441 -1.093 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1OC 946819563 DBOUKFJBOAFPJR-FVCCEPFGSA-N 392.416 -1.690 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 1258228894 QTZPNDKGLSBUQA-UHFFFAOYSA-N 390.444 -1.960 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 1349213694 BLMWQLMREOCGOH-QAPCUYQASA-N 379.461 -1.614 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839229200 DFALNTLILWLUIC-CXAGYDPISA-N 399.448 -1.088 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840044502 ZBKVHILDLCFNJG-XGIHMFCUSA-N 378.381 -1.577 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600768247 GIGNCTJESBCWKK-STQMWFEESA-N 395.503 -1.158 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)C1=O 854718790 CJCYMHQPSCOAOL-JTQLQIEISA-N 384.389 -1.035 30 20 GAED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC(=O)NCC#N 1118090215 FOXRMQWMRLNXSZ-UHFFFAOYSA-N 388.471 -1.060 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 1261181111 QALIONFIENVIKI-ZDUSSCGKSA-N 389.474 -1.201 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 1324336548 JLOULQIZPJEYSL-AWEZNQCLSA-N 385.486 -1.138 30 20 GAED Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1606217348 ISOHHTQMCSDIQY-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1832488315 XDLTYELPDJKTKR-QGZVFWFLSA-N 399.469 -2.194 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 349476169 ONIXEBCDQUEMNX-NSHDSACASA-N 387.505 -1.390 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349485713 AVASCHQCPCHYCY-NSHDSACASA-N 379.464 -1.799 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1 562182681 VYFCUAFTGPLQFM-LBPRGKRZSA-N 387.439 -1.234 30 20 GAED COc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)cc1C#N 599970856 JHDMPYKYGHZUIX-SNVBAGLBSA-N 389.343 -1.186 30 20 GAED C#CCN1CCN(C(=O)CN2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 748816346 HYOULVPWARUNAQ-GOSISDBHSA-N 393.532 -1.077 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 847436495 NVIINEVQWHNLEV-UHFFFAOYSA-N 379.442 -1.455 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 1322935243 UTDUKUDGFWCYLC-UHFFFAOYSA-N 379.442 -1.128 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 1326078368 JRYZDFVJLKHVHD-QGZVFWFLSA-N 376.417 -1.236 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 1327401999 NQLJQCZHHYNHEC-LSDHHAIUSA-N 392.456 -1.274 30 20 GAED C#CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)CCCCc2cnn[nH]2)C1 1575005094 USDRAPLJLLRCSD-GOSISDBHSA-N 390.444 -1.263 30 20 GAED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1778354541 OCPPIYDHGGIELT-SFHVURJKSA-N 377.445 -1.106 30 20 GAED CS(=O)(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC1 349520338 QZFZBOPZYMMBPO-UHFFFAOYSA-N 388.493 -2.274 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 1325906807 PZXGVDVNHBHGFZ-CHWSQXEVSA-N 386.474 -1.228 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1792629034 IUMLOQZXJYSLBL-LSCVPOLPSA-N 377.401 -1.276 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840041611 XNYMQAMVUWMLGD-PXAZEXFGSA-N 379.369 -2.191 30 20 GAED C=CCS(=O)(=O)CCNS(=O)(=O)c1cnc2c(c1)c(=O)nc(O)n2C 272851706 OQGQWDOPLMBPOE-UHFFFAOYSA-N 388.427 -1.087 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 509354392 JLQJBGBABPAYSD-JHJVBQTASA-N 380.492 -1.447 30 20 GAED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 595989319 SGCVHBJZPKFMIX-GJZGRUSLSA-N 397.439 -1.628 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 1023656108 WAGZYQSLBWEJCM-LPWJVIDDSA-N 389.412 -1.142 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCS1(=O)=O 1109373533 HUJZDOOWFBLHCB-KBXIAJHMSA-N 382.486 -1.119 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(O)CCN(CC(=O)NCc2cnn[nH]2)C1 1575054085 PNRQGXBTMAOCGS-QILLFSRXSA-N 392.460 -1.045 30 20 GAED C[C@@H](NCC(=O)NCC#N)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575371255 RANSVKMTZPXJDS-ZWNOBZJWSA-N 387.404 -1.346 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010303 JLZJDAHQJFBSCE-SNUQEOBHSA-N 394.428 -1.819 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564216 HYXLIFJYJOXTDA-CZUORRHYSA-N 383.357 -2.031 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)CC1 1795408336 XJPONBFHBFMFPL-GNXNZQSNSA-N 397.395 -1.075 30 20 GAED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 1801596696 WUWOAWKDFRQQQW-CLLJXQQHSA-N 398.423 -1.295 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1839388379 PFXJJFWZMMWDFN-RDTXWAMCSA-N 397.428 -1.081 30 20 GAED Cc1cnc2c(S(=O)(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)cccc2c1 2048532244 QUZZYDUOFZJBMI-KNPMLCFXSA-N 387.410 -1.316 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 290588981 VJBZZJGIXJMWDM-UHFFFAOYSA-N 387.443 -1.816 30 20 GAED CS(=O)(=O)C1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349456117 DBEIXVXKRZLDNP-UHFFFAOYSA-N 385.489 -1.589 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 595990243 WAWPWLFMWXXDLY-KBPBESRZSA-N 392.460 -2.797 30 20 GAED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 619708033 SVPOGWUZZUQMHD-ZDUSSCGKSA-N 381.524 -1.120 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCO1 1332302122 CSHQQOKQKPTUKA-JKSUJKDBSA-N 379.461 -1.350 30 20 GAED N#CCCN(CCC#N)C(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1340939243 DZYHRAXWMFPRAU-LSDHHAIUSA-N 383.474 -1.270 30 20 GAED C#CCN1CCC(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)CC1 1602717875 FXLMBTFCUKIMBJ-CYBMUJFWSA-N 385.432 -1.109 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831390924 AGGVXKWTLKEROH-RDTXWAMCSA-N 391.428 -1.077 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835568001 UGUDHVDLQCAKMZ-CXAGYDPISA-N 381.433 -2.036 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1835667296 AXMWRGYKMLMMQO-KRWDZBQOSA-N 384.433 -1.965 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837404659 ASGLVCMOEKHQSF-FZKQIMNGSA-N 398.460 -1.316 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)NCCC(=O)O)CC1 420596665 IEVIUHQOKBKSLR-UHFFFAOYSA-N 394.409 -1.018 30 20 GAED C[C@@H](CNC(=O)C(=O)N(CCC#N)CCN1CCOCC1)S(N)(=O)=O 446524345 RVCGYTMGUTVIFF-LBPRGKRZSA-N 375.451 -2.146 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3CC(=O)NC3=O)CC2)o1 732355115 DFTJWLVHEWILCY-UHFFFAOYSA-N 390.356 -1.402 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)CC1 746499033 DGXFGDZBYSNSSA-UHFFFAOYSA-N 377.489 -1.760 30 20 GAED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1129897803 IFBWHPLDPKZOHQ-XFMPKHEZSA-N 377.405 -1.937 30 20 GAED C#CCSCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1323045648 QBUQNOXIPLOHRF-UHFFFAOYSA-N 396.469 -2.001 30 20 GAED Cn1c(Cn2cnc(C#N)n2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1515843700 ILKGNBXWNLVFSO-UHFFFAOYSA-N 398.431 -1.402 30 20 GAED C#CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354715 WYVVAVDBUCBKQL-QGZVFWFLSA-N 386.416 -1.499 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760012 FBMBRWWYASPBJA-JFILPPLUSA-N 392.412 -1.834 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831387454 IFAQDLMWYJAVEF-GLJUWKHASA-N 395.412 -1.411 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 761035535 AJAPRQIJRHCGIQ-UONOGXRCSA-N 385.490 -1.816 30 20 GAED CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC#CCO)[C@@H](C(=O)NCC#CCO)C1 839757364 BTCROAHAFPGFBJ-GJZGRUSLSA-N 393.440 -1.307 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1120386876 HQNWRXRRHKFOAY-RYUDHWBXSA-N 392.441 -1.311 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 1327401993 NQLJQCZHHYNHEC-CABCVRRESA-N 392.456 -1.274 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1588713561 NBTUXOMJYFRCAD-YPMHNXCESA-N 398.387 -1.412 30 20 GAED O=C(O)C[C@@H]1C(=O)NCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1601941243 WKVWCYFZGGJWEG-LLVKDONJSA-N 394.409 -1.083 30 20 GAED N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776060 QSLZWGVKONHKNZ-DZJQYVJYSA-N 392.437 -1.310 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCCNC2=O)CC1 349616411 NVWAPINMOYTWOF-NSHDSACASA-N 378.476 -1.060 30 20 GAED C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 749670846 KIVYSMYQUUZKMA-UHFFFAOYSA-N 397.395 -1.005 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC2)CC1 820626619 SMBAPDMTBIXOJH-HNNXBMFYSA-N 387.462 -1.373 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1O 970707605 SWDNGUQGHVSJTE-NDBYEHHHSA-N 380.401 -1.841 30 20 GAED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c1 990841278 MAHPJQBDHWNLDZ-WVWOOGAGSA-N 382.384 -1.219 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1110841079 POVYPTISFYFZBZ-NDBYEHHHSA-N 382.442 -2.630 30 20 GAED Cn1c(N2CCC(N3CCS(=O)(=O)CC3)CC2)c(C#N)c(=O)n(C)c1=O 1342878245 PRKFWLMENQBGQR-UHFFFAOYSA-N 381.458 -1.345 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 1349213691 BLMWQLMREOCGOH-MAUKXSAKSA-N 379.461 -1.614 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1786700524 HTFZUMLBQUTSBE-CYDGBPFRSA-N 377.401 -1.132 30 20 GAED O=C(CN(CCO)CCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1790906638 JWBWXBIGYJZWEE-BZSNNMDCSA-N 393.484 -1.334 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831391526 PSAFCLPXCPAUBQ-KDOFPFPSSA-N 381.429 -1.431 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C 349462001 RVTBXPGLXHJLEV-QWRGUYRKSA-N 387.505 -1.343 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2c(O)nnc2C1 349482050 QKIVYILQFKGLEM-UHFFFAOYSA-N 398.426 -1.010 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)CC1 765965063 CIPUICCQBMYURU-UHFFFAOYSA-N 386.455 -1.060 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1O 970707594 RZJMZDZBCFKPBZ-KBXIAJHMSA-N 380.445 -1.961 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1O 1023960139 AOFJFHKYWFLLIN-SYQHCUMBSA-N 392.412 -1.382 30 20 GAED CC[C@@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)N1CCOCC1 1332466347 PWEVBQSHNIMWJV-HUUCEWRRSA-N 377.445 -1.061 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 1588713805 UUSLETBRSFYDJJ-PWSUYJOCSA-N 383.376 -1.586 30 20 GAED Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1591890043 CTSRVXWCXDNLRJ-GHMZBOCLSA-N 375.418 -1.112 30 20 GAED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1835756842 PDAGYGHWPRHZIG-ACJLOTCBSA-N 394.428 -1.191 30 20 GAED Cn1cnc2c1c(=O)n(CCCn1cnc(-c3nn[nH]n3)c1C#N)c(=O)n2C 826365025 XWAUVKQBWBZUAT-UHFFFAOYSA-N 381.360 -1.228 30 20 GAED O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CCN(O)C1=O 1606554866 WYAPFMZUIBXNJV-SNVBAGLBSA-N 381.374 -1.749 30 20 GAED CN1CCN(C(=O)C2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)CC1 1630000100 UZZHMUCPNFEOFA-UHFFFAOYSA-N 388.428 -1.167 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831392078 BHJQHFREDFUVIO-CXAGYDPISA-N 381.433 -2.036 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831433101 POVWIIRLACVCOC-IUVQAAGXSA-N 397.472 -1.243 30 20 GAED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834400906 ZTGKBHZSIBHZAA-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835741229 KPHUBVIGRPJYKK-GUYCJALGSA-N 381.433 -1.661 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837526665 VDNJVLDOKSNBJK-PKOBYXMFSA-N 395.456 -1.493 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840040747 WISULIVJZMTVRI-AEFFLSMTSA-N 392.364 -1.143 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1840920242 GDHGHWHWCVTMLI-QGZVFWFLSA-N 390.400 -1.375 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 298168620 NTSJASAIWXKPIT-CYBMUJFWSA-N 381.433 -1.610 30 20 GAED CO[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@H]1O 349447653 IRBRGNQJDGAJJF-GHMZBOCLSA-N 375.428 -1.131 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nccc(OC)n2)CC1 425898727 MPROPDAXDNWVNL-UHFFFAOYSA-N 376.417 -1.452 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 816754812 MBROFQXPECYYMV-JOYOIKCWSA-N 384.414 -1.051 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831394053 TYTAIYROJIRQCH-CXAGYDPISA-N 377.401 -1.087 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)n1cnnn1 1835364244 NNIUNCPXZNIZKJ-CZUORRHYSA-N 377.405 -1.006 30 20 GAED COCCCS(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409498693 HWQRGMGXYVJPNO-CYBMUJFWSA-N 396.491 -1.561 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)CC1 410751207 VRFDDZHMTZMNRN-AZGDMVHKSA-N 376.457 -1.340 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)NCCN2CCOCC2)C1=O 600489536 NPDFYJLIIMKXGL-UHFFFAOYSA-N 381.389 -2.472 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H]1CCCO1 809308397 HYCWAOTWALSTLD-KGLIPLIRSA-N 376.413 -1.767 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CCCO1 809313933 YWWIVXZQGDNKPP-CVEARBPZSA-N 392.456 -1.714 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1593339370 NDVIHRGAZDPVOV-MFKMUULPSA-N 394.409 -1.021 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779528494 PTPRKJXOCKBBSW-KRWDZBQOSA-N 388.336 -1.294 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 349475090 LBWYIIPAYBDQKY-TZMCWYRMSA-N 394.519 -1.369 30 20 GAED C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)S(C)(=O)=O 507420268 IZUZBIQNMHGXPY-UHFFFAOYSA-N 375.407 -1.728 30 20 GAED C=CCCSCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 595136958 ODWVVMACNHHGDT-UHFFFAOYSA-N 381.462 -1.231 30 20 GAED Cn1c(=O)c2c(ncn2CCC(=O)NS(=O)(=O)CCCC#N)n(C)c1=O 776122527 RLBNDGWSFFAWHY-UHFFFAOYSA-N 382.402 -1.426 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 829929569 RJOSHWDZXZDAQF-NEPJUHHUSA-N 381.414 -1.590 30 20 GAED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(C(=O)C2CC2)CC1 1323421942 UCVLLNNVCWHRSG-PFONDFGASA-N 389.412 -1.290 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 1326529053 FHAQXNDZBRMMGM-KRWDZBQOSA-N 377.401 -2.187 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)nn1 1349045177 INNHZSSBMXVWAX-LBPRGKRZSA-N 388.388 -1.068 30 20 GAED C#CCNC(=O)[C@@H](C)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588352982 CLBXPDLTYZLDNT-YPMHNXCESA-N 388.432 -1.303 30 20 GAED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1791265083 AHHBKNJLFBBSES-AJNGGQMLSA-N 389.518 -1.429 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cnnn1 1835347857 HUKKVANIZZILLM-GUYCJALGSA-N 389.416 -1.006 30 20 GAED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cnn1C 1840041424 LTTAEINVLAJORR-SFHVURJKSA-N 390.396 -1.113 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1841055397 ATDMKTALHCDZKF-WAYWQWQTSA-N 392.412 -1.409 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1847262851 KPNGMLFAGPCNOI-XYOLNXMOSA-N 389.412 -1.355 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCNC2)CC1 419873560 FWYIGDNRSOAMPB-AWEZNQCLSA-N 391.453 -1.131 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CCCO1 809313935 YWWIVXZQGDNKPP-HZPDHXFCSA-N 392.456 -1.714 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2O)nn1 1023921732 HCPRYPAXPDPDRN-MXYBEHONSA-N 379.417 -1.040 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNS(=O)(=O)NC(C)C)C1=O 1327490104 FKXNZBXRZAITOF-GFCCVEGCSA-N 389.478 -1.820 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCCCc2cnn[nH]2)C1 1575004844 NSDFAXPJUGLRSE-HUUCEWRRSA-N 390.444 -1.265 30 20 GAED C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1)C1CCN(C)CC1 1588457921 JRGZERQROLMLDK-KGLIPLIRSA-N 379.413 -1.125 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1840920241 GDHGHWHWCVTMLI-KRWDZBQOSA-N 390.400 -1.375 30 20 GAED COC(=O)CNC(=O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 537721673 LPOAJTMOHNTLIP-UHFFFAOYSA-N 382.398 -1.102 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C(N)=O 568415372 QVERZCRWIZRRNX-JTQLQIEISA-N 398.532 -1.169 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)cc1 590419109 CDBDETKSXBRIGY-ZDUSSCGKSA-N 391.409 -1.011 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)c1 595988084 NZHNQGKVALJWRM-GJZGRUSLSA-N 397.439 -1.628 30 20 GAED CCOC(=O)c1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 863104230 YFIFGUMZCUFPKL-UHFFFAOYSA-N 395.397 -1.032 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nn1 1261449328 YMFXZSSPDOROCU-ZDUSSCGKSA-N 389.460 -1.108 30 20 GAED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575013502 QBNHERFMRRZPFF-OWCLPIDISA-N 390.444 -1.503 30 20 GAED C[C@@H](C#N)C(=O)NCc1cn(C2CN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575180003 YJNIJPPWVSOELL-WDEREUQCSA-N 386.420 -1.266 30 20 GAED N#CCSCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O 1592679613 WCFIRIUUMVZWBC-MNOVXSKESA-N 376.402 -1.247 30 20 GAED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CCC1=O 1832371113 ZDWOJRSLLZVDDG-KRWDZBQOSA-N 377.401 -1.035 30 20 GAED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(O)O)C3)C2)cc1 1838949556 INNMVCLEQSASCR-GOSISDBHSA-N 375.381 -1.061 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076695 OHFCUGODARGVKK-IUVQAAGXSA-N 395.456 -1.796 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)C(=O)N(CC=C)C2=O)CC1 265078205 WZTKDSVMHGMPBP-UHFFFAOYSA-N 389.412 -1.753 30 20 GAED CC1(C)C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349516380 CRXYQURMDJPNKC-UHFFFAOYSA-N 391.475 -1.404 30 20 GAED C=CCn1cc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nn1 425869425 FTUUSUIAZGODLS-UHFFFAOYSA-N 389.416 -1.033 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 810344302 OVNDCYUPWXXNMF-UHFFFAOYSA-N 379.442 -1.747 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H](C)S(C)(=O)=O 1117433363 DHDJGXOEZXNARN-RYUDHWBXSA-N 394.457 -1.065 30 20 GAED N=C(N)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098246 DAPMTYQZCKCFOW-HXUWFJFHSA-N 399.451 -1.022 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835741230 KPHUBVIGRPJYKK-SUMWQHHRSA-N 381.433 -1.661 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1839811268 PLSXDEXEPHVAHA-SFHVURJKSA-N 390.396 -1.653 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840041173 WLOYPSAHGFQSCJ-HNNXBMFYSA-N 380.382 -1.304 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 363144444 ZZSUHFNHLLOSKN-UHFFFAOYSA-N 396.473 -2.018 30 20 GAED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 410153811 KBSWAMXTEYQBTJ-CYBMUJFWSA-N 376.435 -1.737 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1023704741 RUJPXDSRGXSVMM-GBOPCIDUSA-N 379.417 -1.183 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1118386349 VMFXPOHKGCPHIF-UHFFFAOYSA-N 382.417 -2.165 30 20 GAED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1218332467 KLVQYTNRBISGOZ-CBBWQLFWSA-N 393.444 -1.649 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631401 HAUHSMOZLCRZQZ-HAFSJTIUSA-N 380.445 -1.793 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632837 VIKCADGNSNCVNK-RGHULWKBSA-N 396.488 -1.258 30 20 GAED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1843974676 QGSQNULRKAOBTD-UHFFFAOYSA-N 376.413 -1.558 30 20 GAED C#CCNS(=O)(=O)N1CCN(Cc2nnnn2CC2CCOCC2)CC1 769769683 KXMVKEARZRCWKR-UHFFFAOYSA-N 383.478 -1.315 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CCN1C1CC1 1119014614 OKRQRCYKEKVGJG-LBPRGKRZSA-N 390.473 -1.032 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778781355 NLUMCJOVKRZYEI-LBTNJELSSA-N 397.428 -1.081 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783133680 KLTVTOLSOGWRHF-PYTPGESOSA-N 378.429 -1.189 30 20 GAED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1785418107 LLXMDZXYXROSIA-GOSISDBHSA-N 397.497 -1.040 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1797586501 SIZMLCWVPVKEFC-OPDFLTKYSA-N 380.401 -1.056 30 20 GAED N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776046 PUQFUTDFWLFUIU-KRXQYRFLSA-N 386.408 -1.371 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831388267 WKWCICRTXIFDDS-KDOFPFPSSA-N 391.428 -1.077 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834898100 IGINMNZTIJEDSP-UHFFFAOYSA-N 388.428 -1.062 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(CC(=O)NCc3cnn[nH]3)C[C@@H]2O)nn1 1575112418 STMYJRGOMPDCAG-YPMHNXCESA-N 375.393 -2.327 30 20 GAED CN(C)CCCN(CCC#N)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1578990783 KGZYLPKXZAMEJW-UHFFFAOYSA-N 375.393 -1.177 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788655686 ONAMCBMSDWRVGG-RVFOSREFSA-N 387.502 -1.065 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829965 QIXXDAJHZAMIDY-NFFDBFGFSA-N 394.428 -1.281 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832326530 KDBKEUMJIRNXEO-MRXNPFEDSA-N 379.373 -2.092 30 20 GAED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1834449002 NGMSSRLFLRSCEP-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 727007175 IQIVTTSYZWUPSI-VIFPVBQESA-N 387.418 -1.050 30 20 GAED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 1054787894 FFMONSNONHMCMV-ZOBORPQBSA-N 389.437 -1.111 30 20 GAED CS(=O)(=O)N1CCN(CCNc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1580163578 DWTZONDYQHSXFT-UHFFFAOYSA-N 378.422 -1.483 30 20 GAED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195942 SYXXXXYQAJSWKZ-ZDUSSCGKSA-N 380.353 -1.227 30 20 GAED Cn1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 763460553 MMHHTHGZGUTTFU-UHFFFAOYSA-N 377.451 -1.176 30 20 GAED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1CCCO1 773562321 WRTGXYGZOLFEDK-JKSUJKDBSA-N 399.517 -1.013 30 20 GAED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329384383 UVBJDCROXUZCTJ-AWEZNQCLSA-N 398.489 -1.864 30 20 GAED N#Cc1cn(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(=O)nc1O 1542841940 NFVMOMBHNNEAOY-UHFFFAOYSA-N 388.428 -1.023 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1783554494 ATZPXGHGMOTEMU-QGZVFWFLSA-N 381.454 -1.047 30 20 GAED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(=O)[nH]c1C 1783557502 MTPYLEFSGXVEII-SFHVURJKSA-N 388.380 -1.082 30 20 GAED O=C(CN(CCO)CCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800576425 RCJXXKPKOZBPIA-HGKCTWBKSA-N 379.457 -1.724 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)O 1835756915 QSTKJSCMHQQLHX-GUYCJALGSA-N 382.417 -1.191 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 490883847 CELICVWYFVYOKL-ZWNOBZJWSA-N 391.409 -1.012 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nnc3ccccn23)CC1 572182548 DYUHZOFWTYUBSB-UHFFFAOYSA-N 385.428 -1.208 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 728570571 FOHJDQHXIXINDB-UHFFFAOYSA-N 375.473 -1.566 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@@H]2CS(=O)(=O)C[C@@H]21 1108473904 BHHGXKZZKULSEX-ZJOBFFGXSA-N 381.454 -1.918 30 20 GAED CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342422 BMWGBSDUZIDQQR-INIZCTEOSA-N 385.442 -1.209 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)CC1 1835344557 KNMDALLKACFEQW-KRWDZBQOSA-N 375.385 -1.378 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1835354755 ZRLLTJJRUSEGSB-QGZVFWFLSA-N 378.433 -1.413 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141915 HSYZTRPUNFOMFT-YOEHRIQHSA-N 392.416 -1.832 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCS(N)(=O)=O 596623288 RIWFTZKCXJNNSA-GFCCVEGCSA-N 397.461 -1.127 30 20 GAED COCCN(CCC#N)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 615254178 PHGJZJFYURVYOA-UHFFFAOYSA-N 388.384 -1.041 30 20 GAED CS(=O)(=O)N1CCN(S(=O)(=O)NCCNc2ccc(C#N)cn2)CC1 754316709 WXKNIFIBDNVESV-UHFFFAOYSA-N 388.475 -1.223 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 761036144 DRIJRORGNVWEEH-JTQLQIEISA-N 399.395 -1.152 30 20 GAED C/N=C(/NCCC(=O)N[C@H]1CCS(=O)(=O)C1)NCCN1CCOCC1 1118411467 ITATZYCISPOZMH-ZDUSSCGKSA-N 375.495 -1.823 30 20 GAED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn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c1ccc(C#N)cc1)C(=O)NC[C@H]1CC(C(N)=O)=NO1 281983186 VESASJUMUMVDPP-GXSJLCMTSA-N 379.398 -1.029 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349513944 YIGZDIXXWMJXKJ-NSHDSACASA-N 376.464 -1.013 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 409594262 APVXNHNUVCHKMY-FRRDWIJNSA-N 380.492 -1.590 30 20 GAED C#C[C@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[C@@H]1CCCO1 786138180 HLZRFNPWBFIOPQ-STQMWFEESA-N 376.417 -1.161 30 20 GAED COC(=O)CNC(=O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 818990136 YOZIPWUEXYHODG-UHFFFAOYSA-N 382.398 -1.479 30 20 GAED CC#CCS(=O)(=O)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1117678858 MOYUJMDPSXXJSG-SNVBAGLBSA-N 375.428 -1.379 30 20 GAED N#CCCN(CCC#N)C(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1340939241 DZYHRAXWMFPRAU-GJZGRUSLSA-N 383.474 -1.270 30 20 GAED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NCc2cnn[nH]2)C[C@H]1O 1575072961 MKBYEZSDBPLXGT-CKEIUWERSA-N 380.449 -1.189 30 20 GAED CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591038779 SDYISGWWYPWMAJ-JTQLQIEISA-N 375.393 -1.801 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584339 NVFVVEIFOXYXBJ-IHRRRGAJSA-N 388.380 -1.689 30 20 GAED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1795417179 VTEVZONBTDXLIQ-XOIINTDNSA-N 398.485 -1.390 30 20 GAED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NCC(=O)NCC=C)c[nH]1 537424811 HWLIBXUHVALSEP-UHFFFAOYSA-N 383.430 -1.373 30 20 GAED COCCN(CCC#N)S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 619708028 OVRWWEWYPGFUTG-UHFFFAOYSA-N 397.523 -1.740 30 20 GAED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1O 1024955754 HETIQFPVKOKBIY-WCXIOVBPSA-N 385.420 -1.069 30 20 GAED CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 1119735938 LMHSOOVNICCRPW-UHFFFAOYSA-N 394.457 -1.025 30 20 GAED CC(C)NS(=O)(=O)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1574297417 VQXWTRALUKXBGX-UHFFFAOYSA-N 378.422 -1.107 30 20 GAED C#CCNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353619 YWONZKMYXIKYGB-DIFFPNOSSA-N 386.416 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790749324 NGUNHWRWDBOJGY-XDQVBPFNSA-N 398.437 -1.369 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800781256 TZFLZJWMVNKVQA-YQYWCBKUSA-N 375.337 -2.411 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833535294 CWLQHIMXCPCAFT-OAHLLOKOSA-N 380.382 -1.304 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840044110 LFZNXHJPZHBAJO-KRWDZBQOSA-N 391.384 -1.787 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)OC)[C@@H]2C(=O)OC)C1=O 511304207 WPGPQXOKNMNSIW-CMPLNLGQSA-N 395.368 -1.084 30 20 GAED CNC(=O)CNC(=S)NN=C(C)c1ccc(S(=O)(=O)CC(N)=O)cc1 814845430 XGJMYJSZLIIMAC-UHFFFAOYSA-N 385.471 -1.120 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 1350413070 ZXRZLPGDJFXBFG-NSHDSACASA-N 380.448 -1.324 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086348 GHCUNURDHJQCEI-SZVBFZGTSA-N 395.456 -1.495 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831392090 BHJQHFREDFUVIO-SUMWQHHRSA-N 381.433 -2.036 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837522272 DKSOKEKMAYTMSE-WMZOPIPTSA-N 383.445 -1.331 30 20 GAED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(CC(=O)N2CCCC2)CC1 262808764 UNKCFWPXEPADTH-QGZVFWFLSA-N 377.537 -1.198 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 515311029 AMYOALBWXQTFHW-UHFFFAOYSA-N 377.444 -1.194 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)S(N)(=O)=O 544863915 INERHSLEKFUHBY-NSHDSACASA-N 380.430 -1.605 30 20 GAED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCn3c(O)nnc3C2)c1 583822870 ALBBVOFZTUYNSB-UHFFFAOYSA-N 398.426 -1.010 30 20 GAED N#C[C@H]1CNC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 834516955 OGTVYZWJLLMEGO-JSGCOSHPSA-N 377.426 -1.352 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCO1 1322518504 UDXZGAIKOKBMDK-LBPRGKRZSA-N 376.373 -1.569 30 20 GAED N=C1NCCN1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010774 XATSAODBXHKNBB-FZKQIMNGSA-N 391.428 -1.572 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795856965 PWWSPVYIXNLXKJ-AGGWBTHJSA-N 390.448 -1.455 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831396325 JJZCORSIHQWARB-UGSOOPFHSA-N 392.412 -1.643 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840044679 RAOUMLHBBQJGOD-YVEFUNNKSA-N 379.369 -2.333 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840264343 VHVYKKILNMGSNR-GOSISDBHSA-N 377.397 -1.056 30 20 GAED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)s1 594637928 YARZLFYWESCOBV-VIFPVBQESA-N 380.473 -0.457 30 20 GAED CCOC(=O)c1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)on1 793034935 RKDCPJJUYBUQNH-UHFFFAOYSA-N 385.358 -1.439 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CCCO1 809313934 YWWIVXZQGDNKPP-HOTGVXAUSA-N 392.456 -1.714 30 20 GAED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@@H]1O 1048714640 JJFHWAOGNBKBFA-ZTDLKGJASA-N 375.425 -1.421 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCS1(=O)=O 1109373534 HUJZDOOWFBLHCB-XGUBFFRZSA-N 382.486 -1.119 30 20 GAED C/N=C(/NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)NCCN1CCOCC1 1118411466 ITATZYCISPOZMH-CYBMUJFWSA-N 375.495 -1.823 30 20 GAED NS(=O)(=O)C[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1304263604 IUHUAIPMDCQXEK-JTQLQIEISA-N 386.455 -1.138 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 1325680013 RTEXXPCAVNQCLK-IHRRRGAJSA-N 380.445 -1.016 30 20 GAED C=CCNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588656915 BWAKEJVYJNXUGB-PWSUYJOCSA-N 376.421 -1.092 30 20 GAED O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@H]1CCN(O)C1=O 1606554862 WYAPFMZUIBXNJV-JTQLQIEISA-N 381.374 -1.749 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778781354 NLUMCJOVKRZYEI-HBUWYVDXSA-N 397.428 -1.081 30 20 GAED N[C@@H](Cc1cscn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563063 VSFGZVMSFIZJPS-SUMWQHHRSA-N 392.437 -1.069 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795357331 MMULPZZSUKVARK-LXBXGBMDSA-N 399.469 -1.521 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797808081 GGWBTWLHDWOGAK-RBNVPPIJSA-N 381.385 -2.685 30 20 GAED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1797836995 HIBXVGJSWCBRIH-HWOSJKGISA-N 387.400 -1.025 30 20 GAED CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1836669208 MIIADKACXKUEDP-IBGZPJMESA-N 393.488 -1.006 30 20 GAED Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041628 YCFSJAVDZMQFAD-MRXNPFEDSA-N 377.357 -2.027 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293329 CWUZARZEXPXMPH-CHYADLBTSA-N 392.456 -1.301 30 20 GAED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)n1 349574705 NAXIJNPTGHIBHU-GDNZZTSVSA-N 389.459 -1.012 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nnnc2CN)CC1 577629642 GICAGPSMRALFOC-UHFFFAOYSA-N 390.429 -1.463 30 20 GAED CC(C)(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600768102 VZHKVHRZQIZWFV-SRVKXCTJSA-N 383.492 -1.399 30 20 GAED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)nc1 600769651 XCSHAWXDIBPJCV-RYUDHWBXSA-N 390.443 -1.548 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCC(=O)NCC#N 820444795 LXXRWCQSGAQGKN-SECBINFHSA-N 393.385 -1.284 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1O 1023960679 RWHUISQEJKUXTL-TUVASFSCSA-N 393.444 -1.359 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 1130007683 QRXSDRJMMXVVTQ-ZOBORPQBSA-N 389.416 -2.598 30 20 GAED NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786892647 KKSABOGYMNUVKL-CYDGBPFRSA-N 380.401 -2.353 30 20 GAED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(C(=O)Cn3cnnn3)CC1)CC2 270212786 RASLSLJGGYWNGJ-UHFFFAOYSA-N 394.395 -1.195 30 20 GAED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3C[C@H](O)[C@@H](O)C3)c2)CC1 600759905 GMRXVHVNTCPFCQ-STQMWFEESA-N 387.439 -1.253 30 20 GAED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072659 RFVGPZANZVTZPS-AVGNSLFASA-N 398.437 -1.040 30 20 GAED N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795539053 FYLRIDITRQKJCC-APBAFYQPSA-N 376.417 -1.229 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877389 AOFKAKHFDUAISW-KDOFPFPSSA-N 391.428 -1.077 30 20 GAED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840165950 ORKMNKWLVXIKBF-YVEFUNNKSA-N 397.453 -1.314 30 20 GAED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1840167564 YRDZYZULRDHUSC-KRWDZBQOSA-N 376.417 -1.067 30 20 GAED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1194109571 IZRRGQDMCCYDQR-IQIPOGNMSA-N 380.323 -1.866 30 20 GAED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1220048438 PYSLIGZZTRRGRJ-BDXSIMOUSA-N 381.473 -1.323 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[nH]n3)cn2)nn1 1573348298 OSIHYAZSFAGNAD-JTQLQIEISA-N 385.392 -1.021 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 1588713551 MWIYOBSKHAXSNL-YPMHNXCESA-N 397.403 -1.278 30 20 GAED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564829 NJIYXRUBDMCRPU-PXAZEXFGSA-N 380.401 -1.388 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1791075940 GVMNIOWPMJUNGR-JYJNAYRXSA-N 393.440 -1.224 30 20 GAED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837702722 HWPRJNFNXXTWDQ-FZKQIMNGSA-N 393.396 -1.779 30 20 GAED Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840043972 GETLYURNZCGOFP-GOSISDBHSA-N 390.396 -1.493 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)S(C)(=O)=O)CC2)c1C#N 581209631 HBDULESLFKJOSG-NSHDSACASA-N 396.473 -1.202 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2O)CC1 966007200 QLUNJCOBNQAUGN-NRSFXHEJSA-N 392.500 -1.261 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 969220764 AGGKHKFSIMYMHP-WYFGTUCQSA-N 379.373 -1.435 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1O 1023941891 FVYYRMKIJZPJNO-CFAJVAMVSA-N 380.445 -1.913 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 1116052053 SALXTUHZROILDO-UHFFFAOYSA-N 375.433 -1.736 30 20 GAED COCCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118190305 VOPNTIMRPUUTBH-QGZVFWFLSA-N 381.433 -2.230 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 1261177773 BCZMPTWVLHTINJ-LBPRGKRZSA-N 397.457 -1.251 30 20 GAED N#CCn1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cn1 1322803709 GCHAXLOPYMQQPQ-UHFFFAOYSA-N 386.459 -1.160 30 20 GAED CN1CCN(C)[C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 1326594888 DQBMIDWQWLRHMI-GFCCVEGCSA-N 376.465 -1.383 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)CC2)c1C#N 1328877715 NBANXJLXLARJCG-NSHDSACASA-N 396.473 -1.202 30 20 GAED C=CCn1cc(C(=O)N(CCO)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588711132 KEUPYKGTTOICDT-UHFFFAOYSA-N 385.392 -1.597 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 1839808305 XTHAJIOSIWGOQY-QGZVFWFLSA-N 386.368 -1.879 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840878957 XPJQMNFPSUXENK-KDOFPFPSSA-N 380.397 -1.043 30 20 GAED C#CCNS(=O)(=O)c1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1 288204749 LBOBMWSEHWXEMV-UHFFFAOYSA-N 389.455 -1.367 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C(N)=O 349505867 SNYIZGRHMNNTSP-SNVBAGLBSA-N 384.505 -1.606 30 20 GAED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 546707523 HXLUSHPKHGSIPW-UHFFFAOYSA-N 395.441 -1.062 30 20 GAED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 596598540 KAEKKYGXTOIQDH-UHFFFAOYSA-N 394.457 -1.012 30 20 GAED C#CCNC(=O)C1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 727240578 QLYBJINMVCBLHC-UHFFFAOYSA-N 399.517 -1.265 30 20 GAED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CC3)cnc2n(C)c1=O 793202182 WZCSRWNVPALVFB-UHFFFAOYSA-N 377.382 -1.004 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCNC(=O)C2)cc1 794256787 URGHJKDHCMKWTK-UHFFFAOYSA-N 380.382 -1.662 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1OC 946820446 WYQHYQSLNBCYFE-APIJFGDWSA-N 380.445 -1.649 30 20 GAED C#CC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 1261485128 RPPLQNUAWFAEPH-UHFFFAOYSA-N 388.424 -1.322 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004795 MJPJJXWQHSRNNB-STQMWFEESA-N 376.417 -1.044 30 20 GAED COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561156 HZYPUZZZYAJHMS-QGZVFWFLSA-N 376.369 -1.040 30 20 GAED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1801285526 HTHJDQBAYFGRKU-IARIHHJXSA-N 388.428 -1.040 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831397230 PSWIQYIPVUZSBW-HDMKZQKVSA-N 381.429 -1.384 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835748945 BLUQURUUTIFTHW-SJCJKPOMSA-N 396.400 -2.876 30 20 GAED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195789 CNFISHJWNXUPEJ-LBPRGKRZSA-N 385.380 -1.114 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCO1 499494140 TYNGPSHLYGZCBK-STQMWFEESA-N 378.476 -1.045 30 20 GAED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601423178 LVNWGMDXHMOEGL-OAHLLOKOSA-N 390.488 -1.144 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)C(=O)N(CC=C)C2=O)CC1 728608537 GJHCMZJKARIXFW-UHFFFAOYSA-N 375.385 -2.143 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCCO1 1323529058 VUVQLXHPMBVTFZ-GJZGRUSLSA-N 378.429 -1.520 30 20 GAED Cc1nc(-c2nn[nH]n2)c(C#N)n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c3ccc(CO)o3)C2)C1 1840042344 OUONMTGIFGOPFK-SFHVURJKSA-N 392.364 -1.070 30 20 GAED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 569984720 ZWHXITHNUAYDPN-LBPRGKRZSA-N 375.433 -1.100 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 1261177772 BCZMPTWVLHTINJ-GFCCVEGCSA-N 397.457 -1.251 30 20 GAED C=C(CNC(=O)CN1C(=O)CN(C)C1=O)CNC(=O)CN1C(=O)CN(C)C1=O 1261756885 WLSSZMNMLJHMCG-UHFFFAOYSA-N 394.388 -2.437 30 20 GAED C=CCNC(=O)Cn1c([C@H]2COCCN2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1574936110 GZASGCKPBAXQHI-CHWSQXEVSA-N 398.489 -1.136 30 20 GAED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1798693908 DGMUAOHZJYBVFO-OQMKEHIESA-N 388.428 -1.318 30 20 GAED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837464144 JXOQWTZIGBPZLF-INIZCTEOSA-N 383.474 -1.160 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4C[C@H](O)CN4)CCO3)C2)CC1 1839078714 ZSEXALIHJUKYNS-SUNYJGFJSA-N 378.429 -1.531 30 20 GAED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839652962 DQXLJJFLMFLBPM-MRXNPFEDSA-N 383.474 -1.160 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839810000 YBMXHTRMQBXSMI-VQIMIIECSA-N 378.473 -1.288 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](OC)C1 942204099 PPKPGBRIQRITQV-APIJFGDWSA-N 381.429 -1.222 30 20 GAED C#CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)O 1588405516 QMVKQOFKYCUOKF-LBPRGKRZSA-N 388.423 -1.039 30 20 GAED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)n1cnnn1 1791691429 VBWRSPQXLHDVBN-VOAKCMCISA-N 376.373 -1.698 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)CCC1 1797810727 YYDCSLGNRWOJAT-JYYAWHABSA-N 392.456 -1.080 30 20 GAED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)c1 1798693897 CCIXPSVQIPZJMK-YWVIFJGQSA-N 385.428 -1.070 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830385551 LRIVDLKGWKJDRZ-CWIOURORSA-N 383.401 -2.388 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)CC1 1835741231 KQVOYGOWAJGRGX-ACJLOTCBSA-N 393.444 -1.661 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840040748 WISULIVJZMTVRI-FUHWJXTLSA-N 392.364 -1.143 30 20 GAED C#CCN(C)CCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 293220462 BQEIZQODUSCRBD-UHFFFAOYSA-N 386.412 -1.358 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)c1cc[nH]n1 772349128 ZXQYELPEVINUEO-JTQLQIEISA-N 378.345 -1.544 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c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n2cc(C#N)c(O)nc2=O)C1 600832181 YNKAKXQUIXAMTL-UHFFFAOYSA-N 399.429 -1.452 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCN1C1CC1 1119009885 CUIWGDDPKLKEQE-CQSZACIVSA-N 395.485 -1.178 30 20 GAED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cn1 1340837736 MDIBMPLVSFRPCX-UHFFFAOYSA-N 375.389 -1.058 30 20 GAED C=C(CCC(=O)O)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1588614771 BIVINSZZFARQBR-ZDUSSCGKSA-N 387.458 -1.145 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1782010274 HPEWCLMCSMPJPP-CXAGYDPISA-N 375.385 -1.120 30 20 GAED N#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 731240624 PGPBCAMKCCBZGL-UHFFFAOYSA-N 380.382 -1.396 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1111005426 RKYRKYIQNXKHSA-JLLWLGSASA-N 380.430 -1.858 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1323528476 QMDXSJWUSLUQMA-CYBMUJFWSA-N 382.417 -2.167 30 20 GAED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)N1CCS(=O)(=O)CC1 1455786047 XHIPYZMYEOLEHL-UHFFFAOYSA-N 386.455 -1.060 30 20 GAED C/N=C(/NCCCc1[nH]nc(N)c1-c1nn[nH]n1)NCCN1CCOCC1 1604872572 NSPKWFRNXRFGIU-UHFFFAOYSA-N 377.457 -1.398 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1791075921 DNNZKWGPBOZZRG-KKUMJFAQSA-N 379.413 -1.614 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577731 CQYQIECNUBNESS-HGTKMLMNSA-N 377.445 -1.546 30 20 GAED N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740896 BAGHTVDSKWIAGR-NVXBUPECSA-N 379.465 -1.469 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 416663755 RZEWUAQXVGZVAE-GFCCVEGCSA-N 376.435 -1.153 30 20 GAED C#CC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](CC#C)C(=O)OC)O1)C(=O)OC 854910568 XOKPZVFOWMZWJX-LVEBTZEWSA-N 378.381 -1.104 30 20 GAED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)CC1 968359400 XWDJALSAVVKPNH-ORQFMDKSSA-N 379.457 -1.177 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1110099647 WZJCNBJLPWPXND-ILXRZTDVSA-N 382.486 -1.812 30 20 GAED C#CCOCCC(=O)N1CCN(C2CN(CC(=O)NCc3cnn[nH]3)C2)CC1 1575014284 ZXSSFFGZUNHECA-UHFFFAOYSA-N 389.460 -1.711 30 20 GAED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)nc1 1602735693 OXICQGZDRJKRPW-GFCCVEGCSA-N 379.384 -1.000 30 20 GAED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788655679 ONAMCBMSDWRVGG-GGOFEBJYSA-N 387.502 -1.065 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793354752 OLXLEHJUKVMMJR-ZHZXCYKASA-N 394.428 -1.235 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831398740 KCYNMMRBMWHYRL-CRAIPNDOSA-N 391.428 -1.227 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840064560 UOCUXLKRHPMBPY-SFHVURJKSA-N 389.364 -1.055 30 20 GAED CN(CC(=O)N[C@@H](CO)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 508336899 ASXGVKQZYCXYNN-OAHLLOKOSA-N 396.469 -1.012 30 20 GAED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 527695940 JGYXIRZXXIIBCL-NSHDSACASA-N 396.429 -1.189 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)C1=O 600319793 NLQUFEQPWZYNSR-QWRGUYRKSA-N 395.368 -1.084 30 20 GAED COCC(COC)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601498067 OCYIOFQOQPWZIF-UHFFFAOYSA-N 381.477 -1.150 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 963369744 WMJFOFGDSLMZBF-MQYQWHSLSA-N 386.412 -1.054 30 20 GAED C#CCCCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1117375448 PDCJMNIFGIGARK-UHFFFAOYSA-N 376.417 -1.605 30 20 GAED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C1 1345991308 SZFOOLVXRYKEDX-NWDGAFQWSA-N 381.385 -1.326 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1588351336 OSFNSEPNIKRZHG-ILXRZTDVSA-N 398.427 -1.406 30 20 GAED C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354649 UEBKCZAZDLFTRC-KRWDZBQOSA-N 386.416 -1.499 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856685 DUWALDLPQCUPII-KBXCAEBGSA-N 381.429 -1.383 30 20 GAED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccn1 1840043931 CISHPQNYPJJNOK-KDOFPFPSSA-N 390.396 -1.012 30 20 GAED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 282725949 WSZZWUOHJOPUCU-UHFFFAOYSA-N 388.436 -1.062 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)C1=O 549721936 MVLPCCPHAAWDHR-GNHRZPJRSA-N 375.381 -1.450 30 20 GAED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCOCCS(N)(=O)=O 593595012 KGSVEGKWHKDIFJ-UHFFFAOYSA-N 391.427 -1.072 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1cc[nH]n1 772281815 PIYZHGBDHIUYEJ-JTQLQIEISA-N 387.418 -1.027 30 20 GAED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784453360 PPOOXPXBCCUCKC-AVGNSLFASA-N 386.426 -1.511 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793340594 LXSJQKLMVKQILL-NFFDBFGFSA-N 392.412 -1.834 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840042335 NYUCRLXAGMNYLC-INIZCTEOSA-N 378.341 -2.593 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 541016915 BMRVMUNHOJZKPK-LLVKDONJSA-N 375.451 -2.774 30 20 GAED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 550648268 ZYYFAKKJEUZVCZ-LBPRGKRZSA-N 377.449 -0.909 30 20 GAED CN1CCN(C(=O)CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1318455195 OAODFJCEKRXEGN-FOCLMDBBSA-N 378.433 -1.024 30 20 GAED C=CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1320305567 YTDSRTZLKDWFAH-RYUDHWBXSA-N 378.472 -1.261 30 20 GAED C=C(C)C[C@H](NC(C)=O)C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588406230 RYNSVCINKWWJPU-NSHDSACASA-N 376.377 -1.284 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 1609021601 LUKVJQNIAKOQJQ-GFCCVEGCSA-N 399.415 -1.540 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1800778372 QCZGMDNOYZKBJO-DRXBFXEBSA-N 379.369 -1.494 30 20 GAED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1800985599 KXUDKSMJZNVGGN-KZFFXBSXSA-N 393.429 -1.666 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831438572 QRNVAMWECKNTTO-DYVFJYSZSA-N 384.433 -1.298 30 20 GAED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835260909 DXBCLRSQCTUYDW-RISCZKNCSA-N 380.488 -1.194 30 20 GAED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1C 1840041261 AOBHFFFOLSUZSW-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)CC1 761032410 HHFSSJLTUDHTNV-ZFWWWQNUSA-N 388.490 -1.225 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1318936527 WUIPXHHLNCYIMD-ZDUSSCGKSA-N 379.442 -1.053 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C\C(=O)NC1CC1)CCO2 1783564453 KADMRPXMTAVTQH-DDKKJVIOSA-N 375.381 -1.261 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)CC1 1786694532 MVJPFXSSKDQBLK-FQUUOJAGSA-N 377.445 -1.137 30 20 GAED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)n1cnnn1 1791691427 VBWRSPQXLHDVBN-CYDGBPFRSA-N 376.373 -1.698 30 20 GAED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)[nH]1 1831862513 ZCOJIRIPRKAKLT-KRWDZBQOSA-N 376.369 -1.124 30 20 GAED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1836028280 BOUHZIPQTHHYFC-KRWDZBQOSA-N 392.368 -1.535 30 20 GAED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)n(C)[nH]1 349573593 LMLAHSAEUTXVOV-UHFFFAOYSA-N 376.464 -1.100 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCC(C(=O)O)CC2)CC1 833365835 TWQKOVLBOQAZOX-CYBMUJFWSA-N 386.474 -1.217 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1O 1025711376 PUQSSOPUDLOXGO-GBOPCIDUSA-N 379.417 -1.183 30 20 GAED N#Cc1ccc([C@H](C(N)=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1319638229 VNZMPUXCKNRCAF-ARFHVFGLSA-N 378.454 -1.140 30 20 GAED NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788659429 MVUQHEPDJISVHW-SFAFVFCJSA-N 397.476 -1.219 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793345138 XBMWSYCQKQHUAG-NFFDBFGFSA-N 390.444 -1.053 30 20 GAED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793371740 UBZMQRNFSSDREG-MCYUEQNJSA-N 386.426 -1.655 30 20 GAED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793838451 AGZFUVYJSKNCDP-XOIINTDNSA-N 385.486 -1.118 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832019188 LGSCMCFROLLSBM-GOSISDBHSA-N 390.396 -1.328 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839173669 FTECMAMZAGSNPD-KSSFIOAISA-N 398.460 -1.762 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1=O 289229585 WJPOXORYNQVAJP-OLZOCXBDSA-N 386.474 -1.228 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 409496710 BORCLAKERGLUBM-NSHDSACASA-N 383.448 -1.635 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O 1776398535 DRHJARYRNGOHDP-SNVBAGLBSA-N 387.418 -1.064 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778781356 NLUMCJOVKRZYEI-QWQRMKEZSA-N 397.428 -1.081 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795531166 FPDZQFHGSFSTHC-USRAEIGSSA-N 382.461 -1.240 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807616627 CJAGEJNQFRUFSU-SUMWQHHRSA-N 383.368 -1.138 30 20 GAED N#CCN1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 465141201 QXIYYKIGLFYGDW-UHFFFAOYSA-N 379.398 -1.090 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1 745936310 JTEVFHKHYROBNM-UHFFFAOYSA-N 382.442 -1.133 30 20 GAED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 1776202058 WGASXVCEPZSIFK-OLZOCXBDSA-N 390.418 -1.911 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1791260520 MNEKBMWRDXPYPI-RHYQMDGZSA-N 384.458 -1.164 30 20 GAED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1799305244 XDPDXTPYDKMZAB-YWVIFJGQSA-N 392.416 -1.228 30 20 GAED CN1CCN(CCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834760180 ILVYFQAJEBKKFK-IBGZPJMESA-N 393.488 -1.006 30 20 GAED C=CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 573750541 NMELBFFKYXIZEB-OAHLLOKOSA-N 386.518 -1.106 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(N)=O)C[C@@H]1n1ccnn1 1129266493 MBMCFGSOBXTYLS-NDBYEHHHSA-N 377.405 -1.594 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1193910757 GPGDDPMCFZBSFF-HBJVGIJOSA-N 376.417 -1.314 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788650954 VPOWKMPUPBZLSL-XSWJXKHESA-N 380.445 -1.080 30 20 GAED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)n1cncn1 1791617086 SHGQHUFXYZSSEG-XUXIUFHCSA-N 375.385 -1.093 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 409571883 XSZBNSMRRSCHRA-GFCCVEGCSA-N 385.446 -1.384 30 20 GAED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCC2(C1)OCCO2 1117317994 LSOONKIYRLXEKO-YPKPFQOOSA-N 378.385 -1.006 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1=O 1325680017 RTEXXPCAVNQCLK-RDBSUJKOSA-N 380.445 -1.016 30 20 GAED N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1592673172 ACFOPSBNNWMQTA-UHFFFAOYSA-N 377.386 -1.368 30 20 GAED N#Cc1cn(CCC(=O)N2CCC(O)(CN3CCOCC3)CC2)c(=O)nc1O 1637087500 UVMBYSKWWLVQLH-UHFFFAOYSA-N 391.428 -1.104 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778932456 MLKQHAGRNZYRCD-JXCVUKRWSA-N 389.412 -1.449 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795534237 MZTQOWCRJGCCHB-USRAEIGSSA-N 397.476 -1.030 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835568004 UGUDHVDLQCAKMZ-SUMWQHHRSA-N 381.433 -2.036 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837204633 KJOYOBXJKPQYJK-BBRMVZONSA-N 384.389 -1.579 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1840042399 SPGBBYVXPGQNHS-GOSISDBHSA-N 389.364 -1.055 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840878956 XPJQMNFPSUXENK-KBXCAEBGSA-N 380.397 -1.043 30 20 GAED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1111458455 AGWZSJGACPZPQO-BYNQJWBRSA-N 375.433 -1.211 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 1327407009 YNQXJNOBJHJHEW-UHFFFAOYSA-N 383.474 -1.219 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1783567429 OVKMJJWBWWVPRW-OAHLLOKOSA-N 379.398 -1.185 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791558835 IADFTHCHTGIYHZ-SRVKXCTJSA-N 393.425 -1.036 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831390921 AGGVXKWTLKEROH-KBXCAEBGSA-N 391.428 -1.077 30 20 GAED CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835356852 QISRPMOZUFXBFO-IBGZPJMESA-N 393.488 -1.006 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076694 OHFCUGODARGVKK-FPXQBCRKSA-N 395.456 -1.796 30 20 GAED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)[nH]1 1840039815 IMASTCVTJYWKFX-KRWDZBQOSA-N 376.369 -1.124 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@H]2S(C)(=O)=O)C1=O 268113206 PBSCKXAESISRKL-SNVBAGLBSA-N 375.428 -1.091 30 20 GAED C=C(C)CN(CC)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 297923436 RUZSCXVWHOHPSC-UHFFFAOYSA-N 380.445 -1.059 30 20 GAED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 509253363 GZUSDZFSULWRIE-NSHDSACASA-N 385.450 -1.573 30 20 GAED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1=O 530265644 GCUSXKMYAWYMRK-QGZVFWFLSA-N 386.368 -1.076 30 20 GAED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 557852390 UBYPRKXUOYQPDL-CYBMUJFWSA-N 394.409 -1.273 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)n1 1109616936 DMZYRYZMVSUTMC-USZNOCQGSA-N 376.421 -1.055 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1111272306 LGFQGZDVFBEBFC-DGAVXFQQSA-N 375.429 -1.260 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1118887600 ILBPDRZNJSHYBE-AWEZNQCLSA-N 398.485 -1.132 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004794 MJPJJXWQHSRNNB-QWHCGFSZSA-N 376.417 -1.044 30 20 GAED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1770360681 OALXTGHZGGKZAR-LBPRGKRZSA-N 397.461 -1.208 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779309334 DGWWAWJUQXMDFY-SJKOYZFVSA-N 376.369 -1.536 30 20 GAED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785154095 JBRLOCDZILMCDI-FQUUOJAGSA-N 376.413 -1.022 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)CC1 1786888778 SLDQFZHFIPILAX-FQUUOJAGSA-N 377.445 -1.137 30 20 GAED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(=O)O 1791075955 ICICRSGEHHPBFX-RVMXOQNASA-N 381.385 -1.883 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1110734859 JVZRELIGAUWFQQ-MYPMTAMASA-N 377.445 -1.902 30 20 GAED N#CCCN(CCC#N)C(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1473297809 OPIWKZGKRGDZBF-HUUCEWRRSA-N 383.474 -1.582 30 20 GAED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832297901 VEGLLQHGWAZEST-GOSISDBHSA-N 395.412 -1.601 30 20 GAED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834331552 LUCZZWQHDMHUOW-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444506228 HIFXAPIPZLAVBJ-UHFFFAOYSA-N 375.433 -0.596 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](S(N)(=O)=O)C3)CC2)o1 538962381 DKGIWMCWOBIOHC-GFCCVEGCSA-N 382.446 -1.134 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)CC1 751108031 UFCPHECFNPWWAU-UHFFFAOYSA-N 397.457 -1.049 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC)nc2)CC1 771314578 AFXMHYLKSBHGCD-UHFFFAOYSA-N 379.442 -1.503 30 20 GAED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 848943664 VLOAPIBEJGIMIG-UHFFFAOYSA-N 396.450 -1.045 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCn2nnc(CO)c2C1)c1cc[nH]n1 854570144 GRNZZJBIVVKLGW-UHFFFAOYSA-N 377.361 -1.180 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1O 1025710598 XMZACSFOVQYCHR-TUVASFSCSA-N 376.413 -1.088 30 20 GAED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)nn1 1054787825 ARPWJOOGHRGEPO-MROQNXINSA-N 390.425 -1.716 30 20 GAED C=C(CNC(=O)[C@@H]1CN2CCN1C[C@@H]2C)CNC(=O)[C@@H]1CN2CCN1C[C@@H]2C 1263864723 MAURTSHPWHIOHE-XSLAGTTESA-N 390.532 -1.448 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CCO1 1321653682 HQJQQZNVCZJHPK-HNNXBMFYSA-N 387.444 -1.144 30 20 GAED NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811474 PTAXIHALSVNJFM-USAWNBHBSA-N 383.449 -1.609 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831390974 BPPLCZIUPVEUNK-KDOFPFPSSA-N 391.428 -1.077 30 20 GAED N=C1NCCN1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041509 QXDHBYQYJYQUGS-KRWDZBQOSA-N 393.400 -2.629 30 20 GAED C#CCN=c1nc(N2CC(=O)N(C)C[C@H]2C)[nH]c(N2CC(=O)N(C)C[C@H]2C)n1 804637955 OOHKFJBJOAFWFR-CHWSQXEVSA-N 386.460 -1.328 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCS(=O)(=O)CC2CC2)CC1 1117561455 BSIBDDAGQMRGDI-UHFFFAOYSA-N 383.470 -1.085 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1194847936 RWCHGVGPHJUNDY-KQTLUZQSSA-N 380.445 -1.025 30 20 GAED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783891163 ZRXDUQBTTJRSLH-MFKMUULPSA-N 381.391 -1.141 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1795600032 PTSSVAMBFMBSEK-MIFYACCESA-N 382.461 -1.133 30 20 GAED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1837486323 AYVABEYNTHQLQZ-LJQANCHMSA-N 396.440 -1.548 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840041926 PWBVSOYOKQXWEL-MRXNPFEDSA-N 377.357 -2.178 30 20 GAED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cnnn1 1840043987 GVIOIMYXKJRRCR-WBMJQRKESA-N 392.372 -2.222 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2 1840808103 KIBROGMQPGGAPG-GOSISDBHSA-N 390.396 -1.653 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 619708032 SVPOGWUZZUQMHD-CYBMUJFWSA-N 381.524 -1.120 30 20 GAED O=C(/C=C/CN1CCOCC1)NCC#CCNC(=O)/C=C/CN1CCOCC1 867318132 MWXKYGJRAIVMOF-GGWOSOGESA-N 390.484 -1.001 30 20 GAED COCCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1110615338 ONHJPJBIRYXHRW-YJNKXOJESA-N 377.445 -1.157 30 20 GAED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1215527447 BBYCTKPZESDHOR-FVCCEPFGSA-N 381.433 -1.532 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCCc3c2ccc(=O)n3C)c(=O)n(C)c1=O 1324207555 NHYSQIFUSFIJCQ-UHFFFAOYSA-N 393.425 -1.198 30 20 GAED C#CCN(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCS(=O)(=O)C1 1588348364 SHMKJBCQCHPKJW-SNVBAGLBSA-N 379.406 -1.710 30 20 GAED N#CCSCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n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n1cncn1)CCO2 1840359552 LPTUTWLEYFNJHV-KRWDZBQOSA-N 391.384 -1.787 30 20 GAED Cn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c(=O)n(C)c1=O 115675186 QLUYOJYARQWSOH-UHFFFAOYSA-N 383.412 -1.062 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCO)CCO)CC1 267878013 OLBAFRUMHWLFAW-UHFFFAOYSA-N 396.469 -1.322 30 20 GAED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2c(O)nnc2C1 349491579 JKFSEUYHCCFOOZ-UHFFFAOYSA-N 392.463 -1.306 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 735923668 VRTODTPYCDLABI-UHFFFAOYSA-N 397.457 -2.470 30 20 GAED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(-c3nn[nH]n3)o2)c1=O 821577963 GLWWFSKNVKJZDG-UHFFFAOYSA-N 396.392 -1.202 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846966650 GSNJCPFZLLOMNV-LLVKDONJSA-N 395.507 -1.023 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCS(=O)(=O)CC1 1111405171 WZJCNBJLPWPXND-KFWWJZLASA-N 382.486 -1.812 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)CCO1 1118330378 MGDBWGLXUSKMIZ-YPMHNXCESA-N 378.385 -1.339 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1118887602 ILBPDRZNJSHYBE-CQSZACIVSA-N 398.485 -1.132 30 20 GAED C=CCn1cc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)nn1 1325927073 WZJSFHCGEHQSAI-UHFFFAOYSA-N 386.434 -2.142 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1327402445 GZAFSFNPUCOJPA-UHFFFAOYSA-N 395.503 -1.414 30 20 GAED C#CCNC(=O)CNCC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 1588354164 HCDMCSJMEVYBFV-UHFFFAOYSA-N 386.416 -1.187 30 20 GAED C=C(C)CN(CC)C(=O)Cn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1588425915 AOWWATLPPCXAHS-UHFFFAOYSA-N 377.405 -1.085 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCNc2ncccc2-c2nn[nH]n2)CCO1 1592672072 WPLZDIBQOSJSOI-SNVBAGLBSA-N 379.406 -1.268 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1797708092 CUDLCWGREIQKCL-YMSVYLFOSA-N 396.488 -1.258 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835735139 LLPNAAQIKZGSLZ-SCLBCKFNSA-N 395.460 -1.415 30 20 GAED COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043918 CCNJVGDAVKBOMS-INIZCTEOSA-N 383.357 -2.113 30 20 GAED C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850284 MMDOLZJXRZCPAX-HNNXBMFYSA-N 391.457 -1.015 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1220047771 GGIKMGSUEYRMGF-BHPKHCPMSA-N 390.444 -1.303 30 20 GAED Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)no1 1785276118 LNDIVYPUCJWTPH-AVGNSLFASA-N 376.369 -1.012 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1791075755 VUGIQGGHRUOMQE-DLOVCJGASA-N 390.352 -1.431 30 20 GAED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)c1 1795534252 OPYLPVXRVGQQRO-ZWUHOBOKSA-N 388.428 -1.318 30 20 GAED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CN 1796343862 ZPQDIUWGHZVCMO-KRXQYRFLSA-N 387.440 -1.187 30 20 GAED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839643725 LVDUOLUCOMTNND-KSSFIOAISA-N 381.429 -1.129 30 20 GAED C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)OC 481784131 HBBHYNMECIMSBR-UPJWGTAASA-N 388.442 -1.118 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)C1=O 512589105 ZLZOOSMTPCHJHW-UHFFFAOYSA-N 387.352 -1.183 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 761030726 LBWWQUCCGBXUIF-UHFFFAOYSA-N 385.368 -1.540 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 855472578 ZANDRXVCOMUNKA-GHMZBOCLSA-N 387.439 -1.347 30 20 GAED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1061737221 OKXLFCFOUWMTDT-YQBONMRBSA-N 375.425 -1.107 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CNC1=O 1110082534 RRAABYREYXPQPF-AGIUHOORSA-N 376.417 -1.320 30 20 GAED C#CCSCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 1322545060 YJCWYXZJMDZDNU-UHFFFAOYSA-N 379.529 -1.036 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)nn1 1329223634 VHDPGQMNHCUYOV-UHFFFAOYSA-N 377.434 -1.137 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1333180501 ITVLCKXNHORQMR-UHFFFAOYSA-N 380.401 -1.875 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1343082579 ZGWPDVIEINPTBL-ZDUSSCGKSA-N 377.463 -1.186 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCOCc2cnn[nH]2)C1 1575014064 WZUKGJYKRDODDH-GUYCJALGSA-N 379.417 -1.171 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784392768 RBDUCYTZUPHHPU-HNNXBMFYSA-N 379.398 -1.185 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831425903 WNRPIFCQBLLTPR-SUMWQHHRSA-N 383.449 -1.483 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1836491035 ZCQJNJQXEFWDQC-DHYXDHFXSA-N 393.444 -1.559 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839809999 YBMXHTRMQBXSMI-QFBILLFUSA-N 378.473 -1.288 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840041613 XNYMQAMVUWMLGD-SJKOYZFVSA-N 379.369 -2.191 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1840175228 IFGRXVIDMRMJRN-GOSISDBHSA-N 385.461 -1.695 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)C1=O 262502921 IOLKFRQFYZBCSR-GFCCVEGCSA-N 377.401 -1.614 30 20 GAED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349536773 LPWQTPURXQSDDA-UHFFFAOYSA-N 387.443 -1.153 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)C1=O 479400818 BKKWVBKUQNDUJA-UHFFFAOYSA-N 391.384 -1.056 30 20 GAED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCn1cnc(C#N)n1 586828174 SFTPSLPPFAKWOC-UHFFFAOYSA-N 393.429 -1.061 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)s2)C1=O 623220754 NTUGTVFYDJCGLU-UHFFFAOYSA-N 386.411 -1.012 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 1325110697 HSFYYZMJUOSOHZ-HUUCEWRRSA-N 399.455 -1.072 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573287955 QSLUZRMDUAIAPE-DIFFPNOSSA-N 387.400 -1.074 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832025397 WQMCINDGWVXOBD-GOSISDBHSA-N 375.381 -1.609 30 20 GAED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567244 FFTBCSPMKVGOTH-BBRMVZONSA-N 387.506 -1.120 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837522269 DKSOKEKMAYTMSE-AEFFLSMTSA-N 383.445 -1.331 30 20 GAED CS(=O)(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 573013912 KVRMSFBJQDUXCX-LBPRGKRZSA-N 386.455 -1.013 30 20 GAED CC(C)(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600768101 VZHKVHRZQIZWFV-SDDRHHMPSA-N 383.492 -1.399 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1024864273 OHPJPVFYTCLMOA-DBIOUOCHSA-N 379.373 -1.435 30 20 GAED CCNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1117286791 UAPLIXFYUVMHLR-UHFFFAOYSA-N 394.457 -1.343 30 20 GAED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1218340852 RKSYNZZJBHYHKQ-NBFUAULTSA-N 378.429 -1.411 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1261450174 UGMZNDGDGGZUFA-NEPJUHHUSA-N 399.411 -1.351 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)C1=O 272461789 CPRNGOVVPDQLIT-GHMZBOCLSA-N 395.368 -1.084 30 20 GAED CN1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)CC1=O 349464397 NNURQBPRBKCFJD-UHFFFAOYSA-N 390.447 -1.515 30 20 GAED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 349478849 IEASBIQGFAATLI-VXGBXAGGSA-N 389.455 -1.196 30 20 GAED C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 578643333 WABNPZPEUJSUGN-NSHDSACASA-N 377.444 -1.148 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1111005222 HNFAOBOAKFYHAS-JLLWLGSASA-N 382.446 -1.306 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778937956 NOLSRWJXWMJCTR-SFHVURJKSA-N 390.444 -1.026 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)CC1 1788650899 VFHUVSPPRIZZLF-JKQORVJESA-N 392.456 -1.080 30 20 GAED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791076917 PWCJXEFIOFBIHY-JYJNAYRXSA-N 392.456 -1.699 30 20 GAED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1792170633 IKDDEMTTYXCRBE-XUXIUFHCSA-N 376.413 -1.022 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1829765117 HBJKGMAKGMOQIT-FDVMBTMHSA-N 394.472 -1.104 30 20 GAED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838097746 AUEWSANOMVVSIX-GOSISDBHSA-N 388.380 -1.057 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1847262840 KHSIYJQGWBAVBY-LDIIPZEWSA-N 389.412 -1.402 30 20 GAED C=CCOC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)OC 481764524 HHYJIQJTWVOOAN-JTQLQIEISA-N 379.373 -1.706 30 20 GAED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 509408632 ARSRACVEMJSPJR-ZDUSSCGKSA-N 387.462 -1.532 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 962931757 QRARYYCPGSAQDW-MQYQWHSLSA-N 379.413 -1.196 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O 1083471001 ZBFAADFHTCBVON-WCVJEAGWSA-N 392.456 -1.274 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 1117363579 LTRGMCDTMJTWNO-QWHCGFSZSA-N 388.446 -1.658 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 1117587062 PZWXJMWHVAENOS-UHFFFAOYSA-N 385.421 -1.019 30 20 GAED CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1256594825 SIQWUOAJBBGKMF-CYBMUJFWSA-N 388.446 -1.153 30 20 GAED N#Cc1ccc(CCNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 1328003556 KPXFLVBJKJICAD-UHFFFAOYSA-N 394.453 -1.005 30 20 GAED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789890543 SKABVUFGRQKCPG-IHRRRGAJSA-N 395.460 -1.041 30 20 GAED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)n1ccnn1 1791077550 HCPGKWMMCVORDD-RFGFWPKPSA-N 375.385 -1.093 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831425271 BJHFCGRNPHHXEU-FZKQIMNGSA-N 394.428 -1.090 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841599730 JWZCSNBALGIAHE-NSHDSACASA-N 385.384 -1.332 30 20 GAED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 600763952 PGANQGWYZZYDJV-KBPBESRZSA-N 389.455 -1.053 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC1 728534923 XNSNECCECVCVQZ-UHFFFAOYSA-N 384.396 -1.459 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)Cn2c(=O)nc(O)c3ccccc32)CC1 728608488 CLCZLHHAHCCGSA-UHFFFAOYSA-N 383.408 -1.004 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](CNC(C)=O)C2)c1=O 735484808 BWLBQEYQBPTAPE-CQSZACIVSA-N 379.417 -1.662 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(OC)CC2)CC1 872515501 OQSWUIFFBWTRBJ-UHFFFAOYSA-N 380.492 -1.573 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1O 1023942000 KMLWUZPLXHTDGS-MDHDOXDCSA-N 392.416 -1.954 30 20 GAED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 1325786161 JQAGZCRQONAQAF-MRXNPFEDSA-N 385.490 -1.168 30 20 GAED COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1348400634 RBYCXZGJJKZWCM-UHFFFAOYSA-N 389.416 -1.184 30 20 GAED C#CCNC(=O)CNC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCOCC1 1588354230 JFKRSIKSUWSLBX-UHFFFAOYSA-N 386.416 -1.187 30 20 GAED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC 1609019721 DIFMHDBACLKVCV-GFCCVEGCSA-N 392.397 -1.174 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744790 GMNLDDWUCKIRDS-SCLBCKFNSA-N 397.428 -1.050 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783256224 NFDHAENBJYDZSZ-QFBILLFUSA-N 397.472 -1.859 30 20 GAED O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1785027819 ZZGWKFQTWAYOSS-KKUMJFAQSA-N 388.424 -1.069 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831388271 WKWCICRTXIFDDS-RDTXWAMCSA-N 391.428 -1.077 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnn1 1839711426 UMYNBQIDLIZWLN-GUYCJALGSA-N 391.384 -1.617 30 20 GAED COC(=O)C[C@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@H]1CC(=O)OC 276358803 YCRUNSKYECBAMW-OKILXGFUSA-N 394.428 -2.283 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCO1 409485776 OWRGXGWLXGUSEY-HPCHECBXSA-N 380.426 -1.148 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 571938318 AXKKXBALHLRDAB-CYBMUJFWSA-N 399.498 -1.233 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 728532748 IVDIRQMIHNMOOG-UHFFFAOYSA-N 391.453 -1.622 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 813983342 QWQDNBZZGNIKCE-UHFFFAOYSA-N 387.443 -1.665 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1220358086 YJLQPNPIQDMBOS-BARDWOONSA-N 379.461 -1.189 30 20 GAED CN(C)C(=O)CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1319479789 QTPWIAKTAPTTHC-NXVVXOECSA-N 378.433 -1.072 30 20 GAED CC[C@@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)N1CCOCC1 1332466350 PWEVBQSHNIMWJV-LSDHHAIUSA-N 377.445 -1.061 30 20 GAED C#CCN1CCC(C(=O)NC[C@H](CO)NCC(=O)NCc2cnn[nH]2)CC1 1574966607 FWSBCXFOIKXSND-OAHLLOKOSA-N 377.449 -2.167 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779086344 GHCUNURDHJQCEI-HHXXYDBFSA-N 395.456 -1.495 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 1783531326 QQSSXZKJFLVXGQ-RPCHJZGYSA-N 379.461 -1.890 30 20 GAED C[C@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797779652 PWMBEIQWDVBOJK-JRATXPSKSA-N 387.396 -1.045 30 20 GAED C#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 276743816 VDLCIEVGJIIVDY-UHFFFAOYSA-N 386.455 -1.017 30 20 GAED C[C@](C#N)(CC(=O)O)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 819866257 UFHPDCVIVOEYSA-ISVAXAHUSA-N 375.359 -1.453 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1325665859 DKDJUYIHDXTKBK-LBPRGKRZSA-N 383.430 -1.641 30 20 GAED C=C(C)Cn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1342614901 IATODULRWLCWMX-STQMWFEESA-N 387.444 -1.053 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 1757005116 TWPUCFHDDURFHV-LPWJVIDDSA-N 375.447 -1.795 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795887716 GFEVHQCTEAHNJP-BEXDMUFCSA-N 388.428 -1.274 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832701666 LOEPHSMMHRLXKW-SCLBCKFNSA-N 392.412 -1.546 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632245 GPOSAXLHYGRMFV-SFHVURJKSA-N 392.460 -1.167 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 468658438 KVJOQMLATOFVNG-MFKMUULPSA-N 394.409 -1.275 30 20 GAED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 571701528 NTDFHKKFUBAMAB-UHFFFAOYSA-N 397.438 -1.155 30 20 GAED C=CCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 619564384 AIPYDNJDJVTMGT-NSHDSACASA-N 376.460 -1.100 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)NCC(F)(F)F)C1=O 726043019 IVOPMEUAAKSMJR-UHFFFAOYSA-N 394.262 -1.106 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 969516123 FLNFJMYUFMOHNG-KBXIAJHMSA-N 380.445 -1.913 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1O 1023960702 UCEFMJMKVNZQTO-SYQHCUMBSA-N 379.413 -1.196 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CCN1C1CC1 1119015963 YSAQTWUKULFNHC-HOTGVXAUSA-N 388.472 -1.392 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](n3cc(C(=O)O)nn3)C2)C1=O 1609373701 MURHVPDJNKGMHT-SECBINFHSA-N 376.329 -1.274 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566473 CFXSDCJZIRFLPN-CXAGYDPISA-N 381.385 -1.945 30 20 GAED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CCC1=O 1784981758 VAURPRHAIODLLB-OBJOEFQTSA-N 390.396 -1.338 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1799393836 PVMDGGJLVNXYNF-JAAXMTQOSA-N 397.476 -1.030 30 20 GAED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n(C)n1 1800773520 NXBPLTRNCHHVLU-CULMDFNYSA-N 376.369 -1.280 30 20 GAED Cc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042321 NMGACKAGYZBDKU-GOSISDBHSA-N 388.380 -1.057 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840044445 XGRAWNVCPONQKL-QGZVFWFLSA-N 391.384 -1.787 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1840475585 HJSBRJMFJSUGRT-DYVFJYSZSA-N 389.416 -1.006 30 20 GAED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1846195850 KJCLTMIGOXFCMK-UHFFFAOYSA-N 385.380 -1.078 30 20 GAED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329383860 SEBHXZFGQDBBFL-UONOGXRCSA-N 383.474 -1.275 30 20 GAED C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013478 PTPWKEWXCFMVHW-OLZOCXBDSA-N 376.417 -1.044 30 20 GAED C#CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353941 BIVRCYBANJTZHS-QGZVFWFLSA-N 386.416 -1.235 30 20 GAED C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1588965901 OCFFSMMUMMYEQO-MWODSPESSA-N 377.390 -1.584 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=N)N)C2 1792485150 DTLCEFQPXPBSJA-OAILTHCBSA-N 378.433 -2.083 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801008008 LAIVQXWNTJBZNB-YNHQPCIGSA-N 382.369 -1.720 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 409586860 LWBDIFCRBKDQCV-HZSPNIEDSA-N 394.519 -1.200 30 20 GAED C#CCN1CCN(C(=O)CN2CCOC[C@H]2C(=O)NCC(=O)OCC)CC1 781906035 WSAZFGFSPSHMIH-HNNXBMFYSA-N 380.445 -1.856 30 20 GAED C#CCN=c1nc(N2CC[C@H](CO)[C@H](O)C2)[nH]c(N2CC[C@@H](CO)[C@@H](O)C2)n1 811838173 XQLMQLAZDVGGFV-NMWPEEMBSA-N 392.460 -2.302 30 20 GAED CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 946759493 JYYFUXWOJXTRTK-XJFOESAGSA-N 375.385 -1.125 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cn3ncn(C)c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c1ccc(S(N)(=O)=O)o1 1109484965 BNVVMPFPDWJWKJ-VWYCJHECSA-N 381.414 -1.098 30 20 GAED C[C@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H](C)N1CCOCC1 1341865177 JTVNJIHKQSYACL-CRQJOFGKSA-N 393.444 -1.146 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786740285 RSGOEVSWFMIXJH-YSFHWQLDSA-N 392.456 -1.087 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1831396603 GEZIDBGMKYHGHF-CRAIPNDOSA-N 384.429 -1.510 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835519307 UFSFYENBUSGXGA-DAFSOKFYSA-N 394.472 -1.104 30 20 GAED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040398 XWCGIRHJZFYOSU-QANKJYHBSA-N 382.413 -1.062 30 20 GAED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349502601 JGULPEUWMQFJLT-UHFFFAOYSA-N 376.464 -1.011 30 20 GAED CS(=O)(=O)N1CCN(S(=O)(=O)NCCNc2ncccc2C#N)CC1 748675323 VCRGVSVGJVAENK-UHFFFAOYSA-N 388.475 -1.223 30 20 GAED CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109849494 UZSZITMXFCOERO-MQYQWHSLSA-N 378.433 -1.882 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(CC(=O)O)C2=O)CC1 1573327882 XMTWYZFUAWUZID-AWEZNQCLSA-N 378.429 -1.407 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358029 NTAVLPADOHHPIB-SCLBCKFNSA-N 394.428 -1.090 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccn1 1840043933 CISHPQNYPJJNOK-RDTXWAMCSA-N 390.396 -1.012 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)C1=O 726042217 GJLDWACSNQEAHQ-LLVKDONJSA-N 394.384 -1.414 30 20 GAED CN1CCN(C(=O)CN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 916558165 FCIPCXVZXIVFEP-UHFFFAOYSA-N 393.469 -1.043 30 20 GAED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326263860 OABFMALDJDLYLF-RDTXWAMCSA-N 377.445 -1.372 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O 1588351315 OGIQZWWEZAFDPU-AGIUHOORSA-N 383.416 -1.580 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840419 SVLQWKUSFPBWLI-KDOFPFPSSA-N 391.428 -1.077 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840043013 CBFGTIKVFLHMBF-KRWDZBQOSA-N 390.352 -2.072 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 349495104 LTVAQJZWDPMQAO-LLVKDONJSA-N 391.475 -1.609 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 755319026 HHGNZMPKKXCKSE-CYBMUJFWSA-N 396.473 -2.020 30 20 GAED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 839252944 TVCFJBQQDZBHJC-OKILXGFUSA-N 386.474 -1.424 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1194872792 PIPCAQWSDOXOOC-ZNFSNMQZSA-N 394.472 -1.039 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1337604810 HRCKEGOOYDNNCN-UHFFFAOYSA-N 395.441 -1.327 30 20 GAED Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n1 1797628212 WHTFZDABSONRPG-KEODLESXSA-N 376.373 -2.003 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1800778979 XLVUGOJFOMSHDX-HBCWATKFSA-N 397.391 -1.051 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831425275 BJHFCGRNPHHXEU-SCLBCKFNSA-N 394.428 -1.090 30 20 GAED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1835764692 WIEWZSCDCJZVQN-SJKOYZFVSA-N 397.384 -2.407 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)CC1 1836145409 WVDIPYIZFABQRC-MRXNPFEDSA-N 375.389 -1.567 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840040316 UMNBWNWHWPCWIF-QGZVFWFLSA-N 395.368 -2.017 30 20 GAED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041719 DLAGHMWADAYLGO-SCLBCKFNSA-N 395.412 -1.602 30 20 GAED Cn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)c(=O)n(C)c1=O 378529549 BMCSQJCEYWCFKG-LBPRGKRZSA-N 397.457 -1.414 30 20 GAED N#CCN1CCN(C(=O)COCCOCC(=O)N2CCN(CC#N)CC2)CC1 744559446 SUNUJRUWYMKDSF-UHFFFAOYSA-N 392.460 -1.645 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@H]1O 970707813 VMSLUPBMMKUYTF-WYUUTHIRSA-N 375.385 -1.532 30 20 GAED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573289030 ZUWLTIMRCVHDST-NSHDSACASA-N 375.389 -1.216 30 20 GAED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@@H]2O)nc1 1575032693 JCTQFMPXQGFKGM-CABCVRRESA-N 397.395 -1.811 30 20 GAED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837702721 HWPRJNFNXXTWDQ-ACJLOTCBSA-N 393.396 -1.779 30 20 GAED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840039938 DPZHVCWHAAYVEV-LJQANCHMSA-N 393.440 -1.127 30 20 GAED N#C[C@H](C(=O)Cn1nc2n(c1=O)CCCC2)C(=O)N1CCS(=O)(=O)CC1 1523912632 DMRHPMDPSNKJNU-LLVKDONJSA-N 381.414 -1.653 30 20 GAED C#CCNC(=O)CC(=O)N1CCC2(C1)CN(C(=O)[C@@H](C)OCc1cnn[nH]1)C2 1575004997 RNROYUYVDFWRGI-CYBMUJFWSA-N 388.428 -1.090 30 20 GAED C[C@H](OCc1cnn[nH]1)C(=O)NC1(CNCC(=O)NCC#N)CCOCC1 1575841955 DFFDRHTVQXQHEW-LBPRGKRZSA-N 379.421 -1.395 30 20 GAED C[C@]1(CNC(=O)CCOCc2cnn[nH]2)CN(CC(=O)NCC#N)CCO1 1575980670 WYDXNBYQQDDWFB-INIZCTEOSA-N 379.421 -1.442 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1783561320 NOIPMSXIICVLFV-SFHVURJKSA-N 379.413 -1.373 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832019189 LGSCMCFROLLSBM-SFHVURJKSA-N 390.396 -1.328 30 20 GAED CN1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1=O 349487716 YAYJNUGXIOWABD-NSHDSACASA-N 378.476 -1.156 30 20 GAED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)NC2(C#N)CCC2)n(C)c1=O 784199905 QWFABBNHPFKETC-UHFFFAOYSA-N 388.384 -1.071 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1323378166 OYGUNJCQDJOAOP-UHFFFAOYSA-N 380.430 -1.733 30 20 GAED COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1329331832 LSDBBXUIKRFZAS-DLUIAHABSA-N 378.385 -1.104 30 20 GAED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561155 HZYPUZZZYAJHMS-KRWDZBQOSA-N 376.369 -1.040 30 20 GAED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1792170488 ASQFQNFFSXJOIP-IHRRRGAJSA-N 376.413 -1.069 30 20 GAED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1831384140 ZGJRDZPWDCYDMJ-GOSISDBHSA-N 380.397 -1.043 30 20 GAED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1837486322 AYVABEYNTHQLQZ-IBGZPJMESA-N 396.440 -1.548 30 20 GAED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040144 QPEFZUDTAUHGMH-ACJLOTCBSA-N 395.412 -1.555 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 516357091 RGMSHJZPEYQNGH-GFCCVEGCSA-N 387.439 -1.234 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 1023977960 RSHDIIQRGURYKJ-LPWJVIDDSA-N 392.416 -1.954 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O 1077822887 IIOYAHZQQFEHTQ-HWMZRRJGSA-N 392.456 -1.274 30 20 GAED N#Cc1cccc(CNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1319877970 FUVFKVHKBJBJQJ-IAGOWNOFSA-N 392.481 -1.050 30 20 GAED N#CCC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1327748158 XNNACYVVIFSWKS-UHFFFAOYSA-N 377.445 -1.201 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781243768 XSCBHWWSBVDBNY-JNJICJOQSA-N 378.429 -1.191 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959898 KWJQJXOENAHNCP-UGSOOPFHSA-N 393.396 -1.943 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837729743 KWIDHAXJHAJVIH-PBHICJAKSA-N 382.417 -1.492 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1=O 297856389 NIWDJWKFMSOEAS-HNNXBMFYSA-N 391.472 -1.346 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)nn1 424536876 BUADKVFXOMTQDD-AWEZNQCLSA-N 389.460 -1.249 30 20 GAED CCOC(=O)CON=C(C(=O)N1CC[C@H](S(=O)(=O)NC)C1)c1cc[nH]n1 772434053 ZWUSKCLRVLZHFG-JTQLQIEISA-N 387.418 -1.156 30 20 GAED COC(=O)Cn1cccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 776187186 BOLWVKYMENEMJX-UHFFFAOYSA-N 383.386 -1.629 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1O 1025709393 MOFQNNNUYHHYGL-SYQHCUMBSA-N 392.412 -1.794 30 20 GAED C=CCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1319387130 ZBBGTNMLMBQSIT-RYUDHWBXSA-N 393.487 -1.326 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 1330914152 APDATNGLCFSDBG-UHFFFAOYSA-N 378.454 -1.043 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834609118 GGMKKRMQEATMGE-GOSISDBHSA-N 390.348 -1.202 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1840844209 JKXLLZRAIFJXBD-IBGZPJMESA-N 397.472 -1.857 30 20 GAED CN(c1ncccn1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349452711 DIAQCOYLQGSZSK-UHFFFAOYSA-N 389.459 -1.077 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 409496692 BORCLAKERGLUBM-LLVKDONJSA-N 383.448 -1.635 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)CCCN2CCN(C)CC2)CC1 866732707 XEKVFGPZLMLPPY-UHFFFAOYSA-N 385.534 -1.679 30 20 GAED CCOCCCNC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916868430 MXOAKKFAVKCZCN-NSHDSACASA-N 390.400 -1.315 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O 1110465673 NVLVHKBDOFDJNT-MCIONIFRSA-N 375.429 -1.211 30 20 GAED N#CCNC(=O)CN1CC[C@](O)(CNC(=O)c2ccc(-c3cnn[nH]3)cn2)C1 1577706821 VQNKGGLYGLTRFK-KRWDZBQOSA-N 384.400 -1.327 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783151989 WCWNASJHDQGNFF-SUZKBHRPSA-N 378.429 -1.060 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cnnn1 1840043985 GVIOIMYXKJRRCR-LRDDRELGSA-N 392.372 -2.222 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1cnnn1 1840475940 PEFSVNXSYVNXCH-CJNGLKHVSA-N 377.405 -1.006 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1=O 288371690 FBAMIXHUQXDSEV-UONOGXRCSA-N 388.428 -1.113 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349507808 VTZHEZXTRHQARU-LLVKDONJSA-N 376.464 -1.013 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(C)(=O)=O)CC2)c1=O 798189195 NCHKVLDWLKOORQ-UHFFFAOYSA-N 385.446 -1.922 30 20 GAED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1CC[C@H](CN2CCOCC2)O1 969642270 RMODRXJOYSKGAC-BDXSIMOUSA-N 391.468 -1.033 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1108481716 CVAVWFFTKMBDRX-MROQNXINSA-N 384.458 -2.280 30 20 GAED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1348178968 NHRSSYMWNLQWLQ-QGZVFWFLSA-N 379.392 -1.256 30 20 GAED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678954 APJRLVJHIPJEMN-UHFFFAOYSA-N 376.402 -1.245 30 20 GAED CN[C@@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)O 1831213026 JOAHDMVOMUWJDK-HNAYVOBHSA-N 393.440 -1.081 30 20 GAED O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1839866600 GJCZOWXZRHZIMJ-HNAYVOBHSA-N 375.425 -1.008 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)C1=O 272287634 UYQNJXFPMBJSJH-NSHDSACASA-N 396.400 -1.217 30 20 GAED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)s1 594637202 YARZLFYWESCOBV-SECBINFHSA-N 380.473 -0.457 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 892871283 UTBMHIZKLRLFSV-HNNXBMFYSA-N 386.522 -1.583 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 969702153 LXXWALZGZMWOLR-FQLMCAECSA-N 393.444 -1.441 30 20 GAED C=C(CNC(=O)[C@H](C)N1C(=O)CCC1=O)CNC(=O)[C@H](C)N1C(=O)CCC1=O 1328444501 LBCLZLARTKVBJA-RYUDHWBXSA-N 392.412 -1.150 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCN(O)C1=O 1589974481 QFAHGYOLIMBNID-LDYMZIIASA-N 395.401 -1.360 30 20 GAED N#CCN1CCC(NC(=O)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1 1592677423 LZRQGZGLKCUROK-UHFFFAOYSA-N 398.431 -1.106 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2c(O)nnc2C1 349496705 PXJPAJGYPFADJT-SNVBAGLBSA-N 392.463 -1.307 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN(CC(N)=O)C(=O)C3)CC2)nc1 459918563 IYXVQEKCFHZAEH-UHFFFAOYSA-N 399.411 -2.242 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)C1=O 726042218 GJLDWACSNQEAHQ-NSHDSACASA-N 394.384 -1.414 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1CCCO1 809012034 PZJYMOHEDKQTFN-QWHCGFSZSA-N 384.414 -1.493 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1024993865 XYVABCSHCQEPRG-JHEVNIALSA-N 378.385 -1.622 30 20 GAED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329383861 SEBHXZFGQDBBFL-ZIAGYGMSSA-N 383.474 -1.275 30 20 GAED C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCOCC1 1341164297 SFIDGJUBEZNVFU-UWZWCOGJSA-N 393.444 -1.287 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799335885 UWVDUNXHCHFPMJ-BEXDMUFCSA-N 381.429 -1.557 30 20 GAED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CCC1=O 1800773440 DHLMMARDKWFJNC-CULMDFNYSA-N 376.369 -1.728 30 20 GAED NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773831 UXLBIYKAWWJFFY-QHBPRCKVSA-N 386.364 -1.528 30 20 GAED C[C@@H]1CNc2c(cccc2S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 2048532189 NCVPHVMJOKPOQM-CEQPCEMUSA-N 391.442 -1.568 30 20 GAED C[C@@H]1CNc2c(cccc2S(=O)(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 2048532190 NCVPHVMJOKPOQM-UHHUMBINSA-N 391.442 -1.568 30 20 GAED COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 570985960 WKPWZYDLPZIAJO-LBPRGKRZSA-N 391.427 -1.357 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1 728534211 GAGPFUMDNXVFGT-UHFFFAOYSA-N 394.453 -1.150 30 20 GAED N#CCNC(=O)CN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1108555762 YGGFKOXNMVBMOI-BVWOBERRSA-N 387.440 -1.549 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836139544 PDCBWHHIVYUIHI-INIZCTEOSA-N 377.357 -2.178 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1839809914 SPWGFJVBBUDUBR-LJQANCHMSA-N 390.484 -1.144 30 20 GAED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041287 CPIYQOWKXXEWOA-JXTAAOLFSA-N 394.380 -1.350 30 20 GAED C#CCNC(=O)c1ccc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nc1 276327938 PYDWUUJTYZRGDP-UHFFFAOYSA-N 383.412 -1.089 30 20 GAED C#CCNC(=O)CCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 815064979 MOVINMULSMCBRX-CYBMUJFWSA-N 377.488 -1.740 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1049134680 LIZGYVQWDAQVFM-ZTDLKGJASA-N 375.425 -1.421 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 1323297090 XAFASYKEWXAAQF-UHFFFAOYSA-N 382.442 -1.164 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3C(=O)CCC3=O)CC2)c1 1346316578 QIJBQFWLGLVVJX-UHFFFAOYSA-N 384.396 -1.133 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 1346401485 QGHLQCLVUORRDQ-ZDUSSCGKSA-N 384.458 -1.876 30 20 GAED C#CCN1CCC[C@@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1588352419 JWAWZBLUDARWRF-LLVKDONJSA-N 387.404 -1.474 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588358316 VUMNRDVNILOLSR-JQWIXIFHSA-N 375.389 -1.218 30 20 GAED C#CCN(CC(=O)c1c(O)nc(=O)n(CCOC)c1N)[C@H]1CCS(=O)(=O)C1 729265747 BIYIZLWCYJHHEU-NSHDSACASA-N 398.441 -1.518 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1800776257 ZXYWMECBWYVDIT-YFKFIEJBSA-N 376.325 -1.821 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831401594 DGCOQSVLCFILBL-KDOFPFPSSA-N 378.381 -1.431 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840043360 TYOWDKKMWWKNQJ-GOSISDBHSA-N 389.364 -1.522 30 20 GAED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 1219822670 SJDDKTKJXNXEQG-PNBKFKSVSA-N 389.456 -1.202 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1261181234 SAHXLHLAXWISNA-NSHDSACASA-N 381.476 -1.756 30 20 GAED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779086262 DSJROPYNUKOAPY-PKOBYXMFSA-N 377.441 -1.120 30 20 GAED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793260225 JVEMRLAZYZKLFU-CYGHRXIMSA-N 377.441 -1.360 30 20 GAED O=C(CN1CCOCC1)N1CCN(/C(O)=N/C[C@@H]2CCCS2(=O)=O)CC1 330165470 XAIFDJGYDUSVFC-AWEZNQCLSA-N 388.490 -1.046 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349494589 LFKIFJHGUKAZCH-WDEREUQCSA-N 379.464 -1.753 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)C1=O 600319791 NLQUFEQPWZYNSR-GHMZBOCLSA-N 395.368 -1.084 30 20 GAED COCc1noc(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)n1 1116929280 CWNPKBIIADSLGC-GFCCVEGCSA-N 386.434 -1.197 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797588593 QRPLZZNIUGVNFE-FJHTZYQYSA-N 383.357 -2.272 30 20 GAED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1837440722 VRXCSLJTNLDXMP-DKFVHQPUSA-N 384.433 -1.775 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839809445 PTAQMSXXPCPVGE-KSSFIOAISA-N 397.428 -1.081 30 20 GAED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)nc1 596002027 QLZCZBLIRZOMHG-KFWWJZLASA-N 398.423 -1.297 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 779764789 JSIOBFLTPMIFAX-IAGOWNOFSA-N 385.424 -1.149 30 20 GAED C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)NC1(C#N)CCC1 787599819 JWABAOXPIIZZMS-JTQLQIEISA-N 388.384 -1.072 30 20 GAED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H](OC)C2)nn1 946789123 AZMZDJMRMLSZHM-GFQSEFKGSA-N 376.417 -1.069 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1328884480 QEKDVRFUUDDDHS-UHFFFAOYSA-N 375.447 -1.737 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(C(=O)O)c1 1601111781 IANAZZWHNDHUDG-JTQLQIEISA-N 378.366 -1.412 30 20 GAED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1793261632 LXIVJNBYPFLIQG-HGKCTWBKSA-N 379.457 -1.724 30 20 GAED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)c1 1795581029 PATUXUYDWLZOIR-YWVIFJGQSA-N 385.428 -1.070 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)CC1 1835342555 VGQQPMRXOLZEPD-INIZCTEOSA-N 375.389 -1.567 30 20 GAED CS(=O)(=O)CCC/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 330609801 OFIGEJMCPLYHAW-UHFFFAOYSA-N 376.479 -1.189 30 20 GAED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 844199946 ZQARLOMCZGEIRR-FOCLMDBBSA-N 397.457 -1.651 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1323027354 QDOINDBSAZKRHQ-UHFFFAOYSA-N 397.457 -1.673 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839192260 VCLDDMHOVCXBKJ-QAPCUYQASA-N 384.429 -1.510 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609699 PNMPDUAYPYCWMS-XGIHMFCUSA-N 378.381 -1.577 30 20 GAED Cc1cnc2c(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2c1 2048532246 QUZZYDUOFZJBMI-RKLWJJNISA-N 387.410 -1.316 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)CC1 501044267 JRDUHSWPHLENRS-CQSZACIVSA-N 395.460 -1.220 30 20 GAED CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](CN)C1 580413291 CKKNKNWQUKTFFR-SJORKVTESA-N 398.467 -1.123 30 20 GAED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 608912069 MVQGLFADJUFHGG-UHFFFAOYSA-N 386.433 -1.339 30 20 GAED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cn1 772314679 OUKITWPAMHBXLA-UHFFFAOYSA-N 386.437 -1.280 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@@H]1O 970701767 BZRMQESABFNZJS-KBXIAJHMSA-N 376.413 -1.169 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)CC1 1786694465 DRNHFQXFJBPLHI-XUXIUFHCSA-N 377.445 -1.137 30 20 GAED NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786800157 JDHKBTGWKRQRHE-VGWMRTNUSA-N 376.457 -1.028 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732147 LTEMROVPHWOTQN-NXOAAHMSSA-N 381.473 -1.051 30 20 GAED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1)C(=O)C(=O)O 1801985273 PZFTZNMLBLIITF-DABQJJPHSA-N 392.412 -1.187 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)NC(C)C)CC2)C1=O 60580216 VVMPDNRYMMUZEP-UHFFFAOYSA-N 379.417 -1.368 30 20 GAED N#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 66902677 RGKTUHNKTHDBJT-UHFFFAOYSA-N 393.425 -1.036 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 443788679 ZWQFWOAVYSITFE-UHFFFAOYSA-N 394.388 -0.513 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)C[C@H](C)C2)c1=O 762155500 FQERSCGRFFBCPM-CYBMUJFWSA-N 384.458 -1.132 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCS(=O)(=O)N3)CC2)o1 845369793 PUKLLJURAVNSJT-NSHDSACASA-N 397.413 -1.262 30 20 GAED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1320305568 YTDSRTZLKDWFAH-VXGBXAGGSA-N 378.472 -1.261 30 20 GAED C=C[C@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588500783 DCWVHEKHMRXDHR-HSMVNMDESA-N 375.389 -1.177 30 20 GAED C#CCOCCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1602729164 HONFJKPPULALMB-UHFFFAOYSA-N 385.432 -1.065 30 20 GAED O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1785149515 MRKORIBNXGIYSS-XQLPTFJDSA-N 388.424 -1.022 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788474657 BUJPUTZIMLIWJK-YWDSYVAPSA-N 397.384 -1.881 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1793344090 HTOGHXRZEUXOSL-HAFSJTIUSA-N 397.428 -1.321 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC2)c1C#N 410867245 YBBPPVPMMNFCFZ-QWHCGFSZSA-N 392.460 -1.161 30 20 GAED Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C(=O)NO)cc1)c(=O)n2C 746267921 AFZWDVGSJGEOQS-UHFFFAOYSA-N 386.368 -1.131 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 847436465 NGHWUFXWVVBTQC-UHFFFAOYSA-N 384.502 -1.058 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1O 964613066 ATAMYUNZAGDCQO-KBXIAJHMSA-N 393.444 -1.441 30 20 GAED N#C[C@@H]1CN(C(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)CCN1C1CC1 1581857115 PXFPXMRUXISABY-LLVKDONJSA-N 385.388 -1.282 30 20 GAED N#CCSCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1592679188 IMULAOYVWOBMRD-AWEZNQCLSA-N 375.418 -1.029 30 20 GAED C=CCOC[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)O 1602909709 FATGEOHANCJDTE-JTQLQIEISA-N 379.373 -1.404 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793425951 RVOOSPIJKYZHQW-YMQQLRJXSA-N 392.456 -1.054 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358098 APKSKSKQBWKOAJ-ICCCGROCSA-N 376.325 -1.821 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)C2)CC1 1835558665 GUOSFNZVPFYTCQ-SCLBCKFNSA-N 393.444 -1.661 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c1 1838736256 UBEPDHCNKVLDBM-GUYCJALGSA-N 376.417 -1.758 30 20 GAED Cc1nccn1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044389 HMGHLRRSTDOWEG-SFHVURJKSA-N 390.396 -1.264 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 16161969 OVGQLAGQSYGZMN-UHFFFAOYSA-N 392.372 -1.621 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 598767447 KDCJTIMOKPUOLQ-STQMWFEESA-N 387.439 -1.235 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CC1 1835346854 XJYFMOUFVULDRK-SCLBCKFNSA-N 376.413 -1.117 30 20 GAED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349538709 ONHGATWRRAGVDI-NSHDSACASA-N 396.516 -1.591 30 20 GAED Cn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)c(=O)n(C)c1=O 378529543 BMCSQJCEYWCFKG-GFCCVEGCSA-N 397.457 -1.414 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)C1=O 600319794 NLQUFEQPWZYNSR-WDEREUQCSA-N 395.368 -1.084 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 761032708 LSTIVCGFDOWHPZ-CQSZACIVSA-N 385.490 -1.849 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 969495189 NLKIVHPPJIBZSE-ZZVYKPCYSA-N 392.412 -1.231 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1046652844 LKZUSQOUILSPII-FQUUOJAGSA-N 381.429 -1.310 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1118183253 GKJGVNUSCGKWQV-KRWDZBQOSA-N 379.417 -1.540 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117879 RMTXSIOGTKWJNV-QGZVFWFLSA-N 375.337 -2.171 30 20 GAED NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1802163129 ZLVVSDHJLTZPKX-PBDHTZRUSA-N 397.432 -1.227 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557238 CBSNGKRCODGLSQ-UGSOOPFHSA-N 395.460 -1.415 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835559008 SQZONCPEJMKVHA-SUMWQHHRSA-N 381.433 -1.661 30 20 GAED N=C1NCCN1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041510 QXDHBYQYJYQUGS-QGZVFWFLSA-N 393.400 -2.629 30 20 GAED CN(c1ccn(C)n1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349463872 VQQMYGYABCMXQB-UHFFFAOYSA-N 391.475 -1.134 30 20 GAED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@H](C)C#N 409537470 MKRRVOMGEDKSGC-VXGBXAGGSA-N 380.492 -1.052 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 410135731 RQLSWGKGZOUSRJ-CHWSQXEVSA-N 396.491 -1.466 30 20 GAED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)CO)CC1 460707500 OMESCGQEYVEQGW-UHFFFAOYSA-N 397.395 -0.951 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 601418927 DCFFRXWKSCCGPA-UHFFFAOYSA-N 390.488 -1.189 30 20 GAED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(=O)Cn2cncn2)nn1 1092847463 OTUUPKZDGOZHJJ-RDBSUJKOSA-N 381.400 -1.018 30 20 GAED COc1c(O)nc(O)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111272496 UFTTUHLGXVCFCB-BBBLOLIVSA-N 376.373 -1.129 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1253749326 GGRJFHXPUQHVQM-LBPRGKRZSA-N 378.476 -2.625 30 20 GAED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)n1cnnn1 1782017952 WIRLOJFQWRHDID-PBFPGSCMSA-N 390.400 -1.164 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783759954 LPDMMZOBPPMYHH-GOSISDBHSA-N 377.397 -1.083 30 20 GAED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788758302 VUIWNQBHKVHMPO-RFGFWPKPSA-N 377.397 -1.255 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832692057 AHHYFSLBVUIKND-PXAZEXFGSA-N 393.400 -1.655 30 20 GAED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2=O)cc1 599943211 JRKJQJTZVKWIEY-CVEARBPZSA-N 385.424 -1.120 30 20 GAED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2=O)cc1 599943213 JRKJQJTZVKWIEY-HZPDHXFCSA-N 385.424 -1.120 30 20 GAED C(#CCN1CCN(Cc2nc[nH]n2)CC1)CN1CCN(Cc2nc[nH]n2)CC1 639722389 ZTAZRZKTIKNHKP-UHFFFAOYSA-N 384.492 -1.138 30 20 GAED C#CCN=c1nc(N2CC[C@H](CO)[C@H](O)C2)[nH]c(N2CC[C@H](CO)[C@H](O)C2)n1 811838171 XQLMQLAZDVGGFV-KBUPBQIOSA-N 392.460 -2.302 30 20 GAED C#CCN=c1nc(N2CC[C@H](CO)[C@H](O)C2)[nH]c(N2CC[C@H](CO)[C@@H](O)C2)n1 811838174 XQLMQLAZDVGGFV-TUVASFSCSA-N 392.460 -2.302 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2nc(S(C)(=O)=O)ncc2C)CC1 825975550 RFMPGCXRGHEFQE-UHFFFAOYSA-N 379.442 -1.304 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2O)CC1 1024130871 QLUNJCOBNQAUGN-VDHUWJSZSA-N 392.500 -1.261 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@]2(C)C1 1101364325 RKGJERMLXKDBRE-SDFXEEBMSA-N 377.445 -1.100 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 1117149857 XGUCPMDOLOLCDF-AWEZNQCLSA-N 398.485 -1.485 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 1323084888 JKOUYTFMHGVSGN-ZDUSSCGKSA-N 385.490 -1.816 30 20 GAED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1324768633 BYPUZUVGXKLYOL-UHFFFAOYSA-N 379.461 -1.002 30 20 GAED Cn1c(=O)[nH]c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)c1=O 1639689581 PZDVDRJMHIQZIP-LLVKDONJSA-N 383.430 -1.424 30 20 GAED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952764 DGOTXHWJDAWEBN-BJDJZHNGSA-N 384.458 -1.164 30 20 GAED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1797238273 LJJHWZROFFJPRC-ZSBFGKGUSA-N 378.429 -2.089 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831394069 VOQZFODMHHILQM-CRAIPNDOSA-N 391.428 -1.227 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833679148 OEZRHZXFOKCNQA-UHFFFAOYSA-N 375.429 -1.257 30 20 GAED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835629045 LQSRFJYSYICHDG-QGZVFWFLSA-N 392.368 -1.277 30 20 GAED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCC#N)c1 731240004 ZGOKEMVKYGDWBZ-UHFFFAOYSA-N 382.398 -1.150 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 761035534 AJAPRQIJRHCGIQ-KGLIPLIRSA-N 385.490 -1.816 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1=O 793567398 KSZNOYVWJZDFOI-ZDUSSCGKSA-N 399.473 -1.533 30 20 GAED C#CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573285767 NBKXNANTNSSDFT-SMDDNHRTSA-N 386.416 -1.237 30 20 GAED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(O)O)c2c1 1792799146 IJHQIGFNIMOTAA-GNXNZQSNSA-N 385.380 -1.052 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839229202 DFALNTLILWLUIC-GUYCJALGSA-N 399.448 -1.088 30 20 GAED N#CCCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 286370833 DCKWGBNKHQTXMD-UHFFFAOYSA-N 379.417 -1.674 30 20 GAED N#C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 442956363 IWXOZVJHRLZBMT-STQMWFEESA-N 392.459 -1.515 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 600764479 QUSVJTCPPPZTTI-SWHYSGLUSA-N 389.455 -1.055 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)C1=O 670379416 ZRKOEIHZBZYJAT-UHFFFAOYSA-N 375.389 -1.090 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@@H]1O 964489535 IUWWWVNGBOWCGU-WYFGTUCQSA-N 379.373 -1.435 30 20 GAED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1110731283 RWBJZOCIIKOVSJ-MYPMTAMASA-N 379.461 -1.349 30 20 GAED C=CCNC(=O)NC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)C(N)=O)CC1 1575108183 HGLXYWWFYHUCPW-UHFFFAOYSA-N 392.420 -1.905 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)CC1 1786695375 XRNVNJMLMTUNHR-RVMXOQNASA-N 389.412 -1.132 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795532531 SBKPZWHQNYAZPI-QKDZRIPBSA-N 396.488 -1.258 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1840844210 JKXLLZRAIFJXBD-LJQANCHMSA-N 397.472 -1.857 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 778701657 UORPESIGQDVTOT-UHFFFAOYSA-N 395.485 -1.217 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1O 970712182 YCLXWLMYEFJJON-MQYQWHSLSA-N 387.458 -1.699 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1111242232 WOMISJUZLOJZHW-SYQHCUMBSA-N 375.429 -1.212 30 20 GAED C=CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@H](C)OCc3cnn[nH]3)CO2)C1 1575103528 FNWLYSBXIDVCCN-STQMWFEESA-N 378.433 -1.029 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)n(C)c2)CC1 1588486006 GWYGZLYQPZQCFX-UHFFFAOYSA-N 390.443 -1.503 30 20 GAED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800582196 QZQKTFBFWJUWJK-GUIRCDHDSA-N 375.491 -1.819 30 20 GAED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1834087627 ORIHUTDSEYDJGC-SFHVURJKSA-N 388.380 -1.057 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114768 ONTJIMVTNDKWSQ-ZRGWGRIASA-N 393.440 -1.240 30 20 GAED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835750354 VKEVDOAUGLYVAP-HNAYVOBHSA-N 394.472 -1.161 30 20 GAED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CN(C)CCO1 589139133 QFZSRDKSYKJJAI-FZMZJTMJSA-N 377.449 -0.910 30 20 GAED CN(C(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)(C)C#N 749558719 RPIVKPDJPSSJTL-UHFFFAOYSA-N 376.373 -1.263 30 20 GAED N#CCCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1319375126 AIRPLDLRAGTFAH-GFCCVEGCSA-N 378.476 -1.849 30 20 GAED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCO[C@H](C#N)C1 1321366521 KUFHZAZSQKXHNJ-VXGBXAGGSA-N 394.475 -1.919 30 20 GAED C=CCn1cc(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)nn1 1326235070 BJMSGHJETVICDH-UHFFFAOYSA-N 388.432 -1.019 30 20 GAED C#CCN(C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C(C)C 1335122783 NXQNESGVKQAMJR-UHFFFAOYSA-N 399.517 -1.507 30 20 GAED COCC(COC)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1351854120 HZRHGQICDFFOJO-MRXNPFEDSA-N 393.488 -1.009 30 20 GAED C#CCN1CCC(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)CC1 1588352111 TVTGWIDTEXLWRS-ZDUSSCGKSA-N 385.432 -1.109 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588722505 YLWIHTFUUDLNEA-LOWVWBTDSA-N 375.389 -1.007 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1829766073 JZIKDLXPNVKQSR-VHQYZPEUSA-N 395.460 -2.413 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114766 ONTJIMVTNDKWSQ-VCBZYWHSSA-N 393.440 -1.240 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835735140 LLPNAAQIKZGSLZ-UGSOOPFHSA-N 395.460 -1.415 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358208 VKWFAIGZJVALMW-SCLBCKFNSA-N 392.412 -1.643 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840345147 YQHSATGTZJJLRK-KROLTMCQSA-N 388.380 -1.033 30 20 GAED CC/N=C(/O)N1CC[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 329901523 GZYQDBXBAARTPG-LLVKDONJSA-N 383.496 -1.594 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)n1 1109616937 DMZYRYZMVSUTMC-WYUUTHIRSA-N 376.421 -1.055 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)O1 1189116983 BZGNDTFXMZDBER-LJISPDSOSA-N 377.445 -1.205 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1=O 1327163403 CJXWRAVMCVKGFV-STQMWFEESA-N 386.474 -1.276 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1329803021 VTKRTFCHTMVJPB-NSHDSACASA-N 381.476 -1.804 30 20 GAED C[C@@H](C#N)C(=O)NCc1cn(C2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575180002 YJNIJPPWVSOELL-QWRGUYRKSA-N 386.420 -1.266 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1830985840 SCRKIZUHXQHAAE-KSSFIOAISA-N 390.396 -1.012 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1835751879 JWEMRDVZGJUNIV-KXBFYZLASA-N 393.440 -1.081 30 20 GAED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838218469 LYBPXTVQPYIGPC-GOSISDBHSA-N 388.380 -1.057 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cnnn1 1840480838 ZFIXPQWRFYZNOC-LRDDRELGSA-N 392.372 -2.222 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCO1 499494138 TYNGPSHLYGZCBK-OLZOCXBDSA-N 378.476 -1.045 30 20 GAED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCNc1ncccc1C#N 787788040 TWYWCKCPNULTJT-OAHLLOKOSA-N 390.444 -1.367 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O 1077698845 CCSDEEVFUBDOJF-TUVASFSCSA-N 378.429 -1.664 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCO1 1340447074 UCWRYRVKWNFYTB-CYBMUJFWSA-N 376.373 -1.569 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1831401928 JUDGVZAPBGFONH-VCBZYWHSSA-N 393.440 -1.383 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114765 ONTJIMVTNDKWSQ-DOXZYTNZSA-N 393.440 -1.240 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839806546 SIKGJLHJRUWREW-SFHVURJKSA-N 375.381 -1.609 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1839808487 RNRQVMSIONXNBT-CRAIPNDOSA-N 396.396 -1.429 30 20 GAED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039676 CWTGYFXPOHIZJO-KBXCAEBGSA-N 379.413 -1.375 30 20 GAED CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349533916 RPZAZLWAIAXBOU-NSHDSACASA-N 398.532 -1.345 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 409538571 WVNNQMAWGUFARU-CYBMUJFWSA-N 387.462 -1.674 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)CC1 425899500 CMJDLKBSORMVGE-CQSZACIVSA-N 379.461 -1.583 30 20 GAED O=C1NC(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]12 764511934 DTZMYZWXEOFBKX-SNVBAGLBSA-N 377.382 -1.512 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)nc2)CC1 769649142 MQYCLMVLTJFXRA-UHFFFAOYSA-N 380.426 -1.076 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1O 964502641 AYOXPOMFCLJDIU-ZWUHOBOKSA-N 392.412 -1.382 30 20 GAED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(CCO)CCN1CCOCC1 1323178172 SQZFMSREVLVSEW-FOCLMDBBSA-N 381.433 -1.151 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCCO1 1323529060 VUVQLXHPMBVTFZ-HUUCEWRRSA-N 378.429 -1.520 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)CC1 1348264307 OIMAVYLEWFXWJQ-CABCVRRESA-N 386.522 -1.585 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)C1=O 1602722819 SDMBMADMHROFGU-JTQLQIEISA-N 380.357 -1.455 30 20 GAED C#CCOCCC(=O)N1C[C@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1757196239 BZHZWNIGOWIRFG-KBXIAJHMSA-N 381.429 -1.473 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)CNC1=O 268839878 VIEXVPJNIVWAGR-SNVBAGLBSA-N 379.398 -1.107 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCN1CCCS1(=O)=O)c1cc[nH]n1 276604490 OTBHDGISXVYOCU-QGOAFFKASA-N 387.418 -1.155 30 20 GAED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349528638 XVKZLFHFPGAULK-NSHDSACASA-N 377.448 -1.794 30 20 GAED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)no1 409537458 SGSHCMZMZBHLGI-ZDUSSCGKSA-N 398.445 -0.992 30 20 GAED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 443071661 ODEORBQHBLLNHU-UHFFFAOYSA-N 375.388 -1.024 30 20 GAED C#CCN=c1nc(N2CCN(C)C(=O)[C@H]2C)[nH]c(N2CCN(C)C(=O)[C@H]2C)n1 804624286 MKJKKSDFTASSGJ-CHWSQXEVSA-N 386.460 -1.328 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 810343808 UCNZIFGKHJXESB-UHFFFAOYSA-N 396.444 -1.002 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 831585718 YWGHZEFNHPKWAO-WDEREUQCSA-N 396.391 -1.087 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 962935391 UTNSLWCUWVALTG-OXIQGZBJSA-N 389.412 -1.142 30 20 GAED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCC1(N2CCOCC2)CC1 1322696130 UBALMWIONIBIBW-PFONDFGASA-N 391.428 -1.390 30 20 GAED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O 1588362202 YANWVXPUONINJY-SMDDNHRTSA-N 387.400 -1.074 30 20 GAED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795082683 ZRNQFWFPPZBIHB-FQLMCAECSA-N 381.385 -1.016 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCNC(=O)C1 272642371 CRXHFVDXFOBBKL-LBPRGKRZSA-N 379.442 -1.227 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 442956362 IWXOZVJHRLZBMT-CHWSQXEVSA-N 392.459 -1.515 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(C)C3=O)CC2)c1C#N 498841881 XXYJOIRJMSHFIZ-CQSZACIVSA-N 387.444 -1.014 30 20 GAED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600767627 SXCILFPDASQNKY-GVXVVHGQSA-N 381.476 -1.645 30 20 GAED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1524677892 RWBAJBDYMGILEH-RWMBFGLXSA-N 385.442 -1.116 30 20 GAED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)Cc2nc[nH]n2)CC1 1575004173 ATAXTHFLFLGQMU-UHFFFAOYSA-N 385.432 -1.292 30 20 GAED C#CCNC(=O)CC(=O)NC1CCN(C(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575004854 ODLGBTCDTCBIFS-LBPRGKRZSA-N 376.417 -1.044 30 20 GAED C=CCOCC(=O)N[C@@H]1CN(C(=O)C2CCN(Cc3cnn[nH]3)CC2)C[C@@H]1O 1575110459 QHKQAZSSUMWXJX-CVEARBPZSA-N 392.460 -1.093 30 20 GAED C[C@H](C#N)C(=O)N1CCN(CC(=O)NCc2cnn[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 1575177761 MHDZDUULZHKGID-KGYLQXTDSA-N 395.445 -2.110 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831264649 YBQDBPXYACCELG-KSSFIOAISA-N 381.429 -1.383 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836490885 OYIFJDABXNMFHX-DEYYWGMASA-N 384.477 -1.698 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840040438 LJQKEAHCZAQJKN-SFHVURJKSA-N 379.413 -1.373 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848071593 BKTYKHPBCSVCCF-STQMWFEESA-N 383.426 -1.993 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)C1=O 268392044 PWISHHQLGDDTTE-GHMZBOCLSA-N 386.430 -1.203 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)CCCOC)CC1 269322137 SQGIEAKNDUXIFL-UHFFFAOYSA-N 388.490 -1.774 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 349455093 HESUVEHRIIBNNT-SRVKXCTJSA-N 378.476 -1.265 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)N[C@@H](C)COC)C1=O 726043080 RBFMBNKRIGKERW-VIFPVBQESA-N 384.345 -1.633 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCO1 1332301921 CSHQQOKQKPTUKA-HZPDHXFCSA-N 379.461 -1.350 30 20 GAED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1335584888 MSXUCLUCLLMOSR-CQSZACIVSA-N 376.461 -1.407 30 20 GAED CN(C)CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCS(=O)(=O)C1 1545240484 XSVGAMAWCGWZLQ-CYBMUJFWSA-N 397.457 -1.212 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588355039 CLMXPJFDRAJFKD-GTNSWQLSSA-N 387.400 -1.074 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793425950 RVOOSPIJKYZHQW-OXNWAGCZSA-N 392.456 -1.054 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794568390 CBPGOBJJSKJXPO-IEWDVVTQSA-N 388.428 -1.123 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795410995 FWXJMSZJAKFNBN-YVECIDJPSA-N 380.401 -1.056 30 20 GAED NC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563485 ZFGBSVGOZGYHON-DHYXDHFXSA-N 393.444 -1.559 30 20 GAED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837702724 HWPRJNFNXXTWDQ-UGSOOPFHSA-N 393.396 -1.779 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839917338 CSVLITFOOLXFSF-KRWDZBQOSA-N 384.433 -2.357 30 20 GAED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044550 LMIIEVPSEULHNU-FHLIRTJZSA-N 393.396 -1.429 30 20 GAED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840158115 FRVXECYLWAKHEK-FZMZJTMJSA-N 380.488 -1.194 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1840175127 FJNKTICKSWTLTC-KRWDZBQOSA-N 383.401 -1.438 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)NC)CC1)c1cc[nH]n1 789991660 FGKJOBJRRJBLQY-UHFFFAOYSA-N 380.405 -1.416 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nncn3C)CC2)c1=O 848497519 MMZSYKVTSDBYIC-UHFFFAOYSA-N 388.432 -1.548 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)nn1 1118178563 QPFDVEBXNBUDNB-ZFWWWQNUSA-N 381.433 -1.047 30 20 GAED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041627 YCFSJAVDZMQFAD-INIZCTEOSA-N 377.357 -2.027 30 20 GAED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1840466412 GEHVUPPFXKZGOO-SFHVURJKSA-N 390.396 -1.493 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1841054419 YDAQDZJCOVNAQB-FWWRYZNZSA-N 377.445 -1.359 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)C(=O)OCC)CC2)C1=O 265601480 LNPUSTSIFJCYDJ-UHFFFAOYSA-N 380.357 -1.803 30 20 GAED CN1C[C@H](C(=O)N2CCN(C/C(O)=N/[C@H]3CCS(=O)(=O)C3)CC2)CC1=O 329578420 KOBBRIOCHRPOHX-OLZOCXBDSA-N 386.474 -1.248 30 20 GAED CC(C)(CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NS(C)(=O)=O 598989894 URMWBUBQYDKEAM-UHFFFAOYSA-N 384.418 -1.285 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)N[C@H](C)COC)CC1 761029408 OZQROXFDZALSKN-GFCCVEGCSA-N 375.451 -2.068 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1024863499 DEJGFNCWYUQJHO-WGBDABJCSA-N 393.400 -1.044 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1111090672 XPCGTIQPLJWKKI-UTUOFQBUSA-N 377.401 -1.569 30 20 GAED C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2n2ccnn2)O1 1129064441 FKBKWCGZJKTATC-APIJFGDWSA-N 390.448 -2.022 30 20 GAED C#CCN=c1nc(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)[nH]c(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)n1 1588490451 NFJNZSASAOMGEF-ARDSDWSFSA-N 398.423 -1.039 30 20 GAED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788778116 MUTYVXBMGIVKTP-XQLPTFJDSA-N 395.412 -1.795 30 20 GAED Cc1noc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n1 1791075930 FKDUQJQWQRAUQE-AVGNSLFASA-N 376.369 -1.012 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1792485756 QMCBGISJDYZGQB-CWRMDDNRSA-N 390.440 -1.287 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831394172 YNGPHRHWQOXSDX-QAPCUYQASA-N 391.428 -1.227 30 20 GAED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(O)O)C3)C2)c1 1838904575 NELRBAHVGJGFDT-GOSISDBHSA-N 375.381 -1.061 30 20 GAED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840041418 LRFNXTYHKWSDAP-SFHVURJKSA-N 388.380 -1.057 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1840172754 HHFIMCMUIOIKGH-HNNXBMFYSA-N 391.361 -1.256 30 20 GAED Cc1ccc(C(=O)NCCN2CCNC(=O)C2)cc1S(=O)(=O)NCC#N 512482688 GVQWEZFWABLSFX-UHFFFAOYSA-N 379.442 -1.042 30 20 GAED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 843461117 SDGGAUVLEXZJOM-WDMOLILDSA-N 377.426 -1.085 30 20 GAED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cn1 1116336102 GNVNCKAYOKYXGI-UHFFFAOYSA-N 387.400 -1.362 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1219652155 FEYJNFIAWOMQKN-TUVASFSCSA-N 379.461 -1.175 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCO1 1321234337 VKPKDEFPIASMAD-GHMZBOCLSA-N 395.484 -1.059 30 20 GAED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1327021077 JZVAGQUWYRHAMR-QGZVFWFLSA-N 379.417 -1.941 30 20 GAED C[C@H]1CN2CCN1C[C@@H]2C(=O)NCC#CCNC(=O)[C@H]1CN2CCN1C[C@H]2C 1346531738 MZXBUZHDPCKWNG-XMTFNYHQSA-N 388.516 -2.001 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112209 LDJPWZJFPCYHMK-IFXJQAMLSA-N 389.408 -1.220 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c1 1835575057 WKZVOUYEPSDKKH-QGZVFWFLSA-N 389.416 -1.561 30 20 GAED CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349533226 DWEFKYSHAHFDEZ-JHJVBQTASA-N 397.475 -2.000 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](S(=O)(=O)NCC)C2)c1=O 770675446 LLWHLOCUDOTBSX-CYBMUJFWSA-N 399.473 -1.485 30 20 GAED C=C(CNC(=O)[C@@H]1CN2CCN1C[C@@H]2C)CNC(=O)[C@H]1CN2CCN1C[C@@H]2C 1263864722 MAURTSHPWHIOHE-XLAORIBOSA-N 390.532 -1.448 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1840172129 SRSMNTZPJSBWID-QGZVFWFLSA-N 380.401 -1.429 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)C1=O 410884093 PTPOTKLMMBWNOH-CYBMUJFWSA-N 386.474 -1.274 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 490879520 UUNANEJZSIOXKC-MFKMUULPSA-N 391.409 -1.012 30 20 GAED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)Cn1cncn1 1092980037 ODPAULCADNBYKH-BZPMIXESSA-N 381.400 -1.018 30 20 GAED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NCc2cnn[nH]2)C[C@@H]1O 1575072967 MKBYEZSDBPLXGT-KEYYUXOJSA-N 380.449 -1.189 30 20 GAED CNC(=O)CNC(=S)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776042392 KDNNLSDWJAFOKL-UHFFFAOYSA-N 387.443 -1.407 30 20 GAED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1792176004 ZOSKYBRZXBKZPM-IHRRRGAJSA-N 379.413 -1.078 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832326721 LYQNEZYRVXQMKF-QGZVFWFLSA-N 393.400 -1.702 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)N(CCC#N)CCOC)CC1 282632138 KNFBKIMKRQDVOI-UHFFFAOYSA-N 385.490 -1.150 30 20 GAED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 349521216 LNDQSCMIJKIJLQ-UHFFFAOYSA-N 375.476 -1.177 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 761022753 DGTREPCGBMNLNT-HNNXBMFYSA-N 385.490 -1.801 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1O 964503726 ONPGEXVASVSTDT-OPDFLTKYSA-N 392.416 -1.954 30 20 GAED CC(C)CN1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 1322693983 LWAYODRKYRRQDV-NXVVXOECSA-N 391.428 -1.044 30 20 GAED N=C1NCCN1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786845200 VSPYSMDRWYPZQP-AVGNSLFASA-N 377.401 -2.106 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1831396606 GEZIDBGMKYHGHF-YJBOKZPZSA-N 384.429 -1.510 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1834767798 XZYSVDMIJLZSJT-KRWDZBQOSA-N 375.385 -1.387 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)CC1 1835741234 KQVOYGOWAJGRGX-UGSOOPFHSA-N 393.444 -1.661 30 20 GAED Cn1c(N)c(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c(=O)n(C)c1=O 29444242 GCAPNCQTGOFZHC-UHFFFAOYSA-N 383.412 -1.062 30 20 GAED CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600762422 XLJGQXRMXHNAGV-SRVKXCTJSA-N 389.455 -1.007 30 20 GAED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C 1360714603 QSFIUNBKHHFMNT-WDEREUQCSA-N 385.450 -1.295 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567190 CIDPFOSFYKYGQI-CXAGYDPISA-N 383.449 -1.483 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnc1 1840039763 HGWDFRGMXLZPSL-KBXCAEBGSA-N 390.396 -1.012 30 20 GAED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041323 GLFHLZOKPAWHLM-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC2)c1C#N 410867243 YBBPPVPMMNFCFZ-CHWSQXEVSA-N 392.460 -1.161 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)CC2)c1C#N 567651608 QEXJAJOTBMQORJ-AWEZNQCLSA-N 388.476 -1.650 30 20 GAED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(=O)Cn2cncn2)n1 1092847507 RFEQQGNNQSJHCE-AGIUHOORSA-N 381.400 -1.018 30 20 GAED C=CCn1c(O)nnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1257261051 LECVDDNNXYIMSE-NXEZZACHSA-N 392.459 -1.023 30 20 GAED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832066247 BJBFZCRDIZTOEV-KSSFIOAISA-N 379.413 -1.375 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 374454234 UNKVPXCXMHPDSV-GFCCVEGCSA-N 399.477 -1.325 30 20 GAED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@H](C)C#N 409537466 MKRRVOMGEDKSGC-NEPJUHHUSA-N 380.492 -1.052 30 20 GAED N#Cc1ccc(OCCNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1 424503216 OMQXKVXXCUVKGE-CYBMUJFWSA-N 395.393 -1.237 30 20 GAED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 802658990 MAFNKFCOGYNYJS-UHFFFAOYSA-N 394.409 -1.006 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1129265669 ATCGXTFBFVTYPE-YJNKXOJESA-N 387.444 -1.907 30 20 GAED C=CCOCCNC(=O)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1588683530 XKAFLRUBIYSDAU-UHFFFAOYSA-N 390.360 -2.169 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@H]3CC(=O)O)CC2)o1 1607943374 LLZYQBKOALMJFG-CYBMUJFWSA-N 390.400 -1.222 30 20 GAED CN1CCN(CCCS(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1664544650 WJQWTZVNXISIIS-UHFFFAOYSA-N 384.462 -1.623 30 20 GAED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1784386861 CRPLXSBXMDIMNM-BZSNNMDCSA-N 393.484 -1.334 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792625103 JNYWPYPTMBJFRF-AYDFFVQHSA-N 380.445 -1.115 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1834767802 XZYSVDMIJLZSJT-QGZVFWFLSA-N 375.385 -1.387 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)NC(C)(C)C)c1=O 53576903 QMAFMFROROTOHE-UHFFFAOYSA-N 379.417 -1.425 30 20 GAED CN(C)C(=O)CN/C(=N/CCNS(C)(=O)=O)N1CC[C@@]2(CCOC2)C1 262302306 NZAQWJCELNDJMN-OAHLLOKOSA-N 375.495 -1.318 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 588124865 MTPLYSYLDJISLS-OAHLLOKOSA-N 377.445 -1.060 30 20 GAED C#CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 802577161 RZHNPTASYWDCSE-UHFFFAOYSA-N 378.410 -1.163 30 20 GAED N#Cc1cccnc1NCCNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 841737168 CPZGRNIOMJYZKF-UHFFFAOYSA-N 393.473 -1.006 30 20 GAED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118248811 CHUVTWGNSVRVFR-GOSISDBHSA-N 379.461 -1.124 30 20 GAED CN(CCN1CCOCC1)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342097397 LHPSMKFQNKQDBH-CCEZHUSRSA-N 379.417 -1.580 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573285083 CMCDQLLKVIHDOD-PHIMTYICSA-N 384.400 -1.041 30 20 GAED CN1C[C@@H](/N=C(/O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O 330151387 WEABWAPDPYUVGT-LBPRGKRZSA-N 375.451 -1.674 30 20 GAED N#C[C@H]1COCCN1S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@@H]1C#N 443020735 FXULBTPLLXYOBQ-STQMWFEESA-N 392.459 -1.515 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)O)C1=O 833376177 PFYIYFGDFFUWQJ-VHSXEESVSA-N 381.341 -1.172 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1O 964615368 OSHMJTUSDIJORW-KBXIAJHMSA-N 381.429 -1.486 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CNC1=O 1111380031 RRAABYREYXPQPF-UPJWGTAASA-N 376.417 -1.320 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@@H]1CCCO1 1117544445 MZKSEAUGMCWJIG-KGLIPLIRSA-N 378.429 -1.521 30 20 GAED C#CCNC(=O)CN1CCN(Cc2cc(O)n3ncc(-c4nn[nH]n4)c3n2)CC1 1588354371 LMIAJTWYOLPTPR-UHFFFAOYSA-N 396.415 -1.518 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783567162 RRGLSQMAPCVSAR-HNNXBMFYSA-N 377.313 -1.151 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1793361135 IHYSCMSPKKGHEG-XPCVCDNBSA-N 397.428 -1.290 30 20 GAED O=C(Cn1cnnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795859404 TXSWQWUHKMMGLB-QQAVUUHUSA-N 390.448 -1.266 30 20 GAED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)O 1835756913 QSTKJSCMHQQLHX-CXAGYDPISA-N 382.417 -1.191 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839192261 VCLDDMHOVCXBKJ-YJBOKZPZSA-N 384.429 -1.510 30 20 GAED Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O 14325388 RSDALURWHKNUSF-UHFFFAOYSA-N 376.417 -2.064 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)CC1 778599847 YJEZHGSRHHPAMQ-UHFFFAOYSA-N 386.455 -1.060 30 20 GAED C#Cc1ccccc1CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 970620755 ZLRJTUHXMUCELW-LTIDMASMSA-N 385.420 -1.069 30 20 GAED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[n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n3cnnn3)CCO2)C1 1836141841 AMPHEADQCQRHPC-YOEHRIQHSA-N 394.432 -1.279 30 20 GAED COC(=O)c1cc(C#N)c(=O)n(CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 31806212 MXMFIZXDBTUNLZ-UHFFFAOYSA-N 384.352 -1.046 30 20 GAED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 735380328 GCEFTONXPWXCBS-INIZCTEOSA-N 399.455 -1.027 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)c1 960198287 VNSDCODXGNSGAR-BYNSBNAKSA-N 387.396 -1.029 30 20 GAED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(F)(F)F 1112166237 KTBWMWLPPWYUEC-CHWFTXMASA-N 391.350 -1.362 30 20 GAED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1129065281 UAYTUKDZWNHKSI-WCXIOVBPSA-N 376.461 -1.012 30 20 GAED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 1129912422 FFDWGWDUVAEUEM-WCXIOVBPSA-N 376.461 -1.012 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783561916 PSGAXLMQGBCILY-HNNXBMFYSA-N 377.313 -1.151 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785624358 WRQLVJFPLVMMQT-LIMHQNJXSA-N 379.417 -1.657 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831388541 URMJHNODIZBYJY-RDTXWAMCSA-N 381.429 -1.383 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1835355254 ZZPMYHCAOMOAQN-SJCJKPOMSA-N 393.400 -1.655 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1330628151 OOTYATGIBYVBIO-QGZVFWFLSA-N 392.504 -1.433 30 20 GAED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1330936779 ZGVDREUPSZDFCY-QGZVFWFLSA-N 381.408 -1.546 30 20 GAED NC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1785629210 RMUWVTMNMMEOND-PBGVMVHZSA-N 380.449 -1.044 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831397225 PSWIQYIPVUZSBW-DAYGRLMNSA-N 381.429 -1.384 30 20 GAED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 813981396 ODXKCMPJYYXBDW-OXHZDVMGSA-N 390.377 -1.079 30 20 GAED CCOC(=O)CON=C(C(=O)Nc1cn(C)c(=O)n(C)c1=O)c1cc[nH]n1 848100752 SAIYJQHDTDBGAT-UHFFFAOYSA-N 378.345 -1.270 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1O 964502652 BCQVIGHYGDKCJT-GHYVTOPFSA-N 392.412 -1.231 30 20 GAED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 1130007259 GNYPGWLYICAVEY-MROQNXINSA-N 390.404 -2.708 30 20 GAED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1349486254 MONPXBTWAIYBHU-HNNXBMFYSA-N 392.456 -1.176 30 20 GAED N#CCSCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1581858618 NPKXGULDBLIWIH-MWLCHTKSSA-N 375.418 -1.031 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 1602724282 CARLPWUBTBOEDT-UHFFFAOYSA-N 376.402 -1.513 30 20 GAED C[C@](O)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(F)(F)F 1793694255 FVDLOGFAWSFSFJ-NVVZYBJKSA-N 378.303 -1.023 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795854219 RUAYVFKDVCAIPP-CYLMYCJOSA-N 389.416 -1.879 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833836886 GTMKTJQTAXQTIW-QGZVFWFLSA-N 390.352 -1.660 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840044175 OUFVUXRRINMHTQ-FZKQIMNGSA-N 393.396 -1.943 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)C1=O 369392817 UCODVQFDPKNANY-SNVBAGLBSA-N 377.357 -1.542 30 20 GAED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 524282883 PYXVVCBJHNKXBF-UHFFFAOYSA-N 398.444 -1.243 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1 603846893 FWNLVXKJPUVVGE-QGZVFWFLSA-N 398.533 -1.095 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1=O 623690297 BQPMBNCEWRXLLH-LLVKDONJSA-N 387.414 -1.375 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1OC 946819768 IYASIAVVNZVWFL-MHDGFBEUSA-N 392.416 -1.690 30 20 GAED N#Cc1cn(CCC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c(=O)nc1O 1167063167 YAPUDNDEWOKBGA-UHFFFAOYSA-N 381.414 -1.153 30 20 GAED C[C@@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)CCOCc3cnn[nH]3)CC2=O)C1 1575179968 XXINEEDKZLPXPB-RYUDHWBXSA-N 389.416 -1.201 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354632 SJSFTBQWKPXELV-VXGBXAGGSA-N 386.372 -2.364 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839807059 RZFNQWRXKVIKQG-IBGZPJMESA-N 378.473 -1.287 30 20 GAED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)CC(=O)N1 349508181 WIAXXBPXHURRED-LLVKDONJSA-N 378.476 -1.156 30 20 GAED O=C(CO)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 765270737 FXZPILKPVVLSNA-UHFFFAOYSA-N 380.426 -1.222 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 847446865 STVRJQGGSRCEDO-UHFFFAOYSA-N 393.469 -1.065 30 20 GAED C#CCN=c1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)[nH]c(N(C)[C@H]2C[C@@H](C(N)=O)C2)n1 858814543 BTCZUSNPUQCWIH-KVVVAFMNSA-N 386.460 -1.261 30 20 GAED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cn1 990915093 WGBRNVRGBBGVAU-QXSJWSMHSA-N 393.407 -1.042 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 1025695659 HRGHKPYNLGAKIQ-FMCLSXCISA-N 376.417 -1.510 30 20 GAED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCO1 1321234341 VKPKDEFPIASMAD-QWRGUYRKSA-N 395.484 -1.059 30 20 GAED COC(=O)[C@H](Cc1cnn[nH]1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1576913250 MXMRPXLRCQOAPM-NSHDSACASA-N 392.397 -1.256 30 20 GAED N#C[C@@H](C(=O)c1ccc(-c2nn[nH]n2)nc1)C(=O)N1CCS(=O)(=O)CC1 1592666354 YSVYOAYGXJNUAJ-JTQLQIEISA-N 375.370 -1.159 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793346505 SINGGFSOEFSMDE-AFIMGQEJSA-N 388.424 -1.129 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)C1=O 297882686 OZVOHNSNKVJAJF-OAHLLOKOSA-N 393.488 -1.100 30 20 GAED COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 557852394 UBYPRKXUOYQPDL-ZDUSSCGKSA-N 394.409 -1.273 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC1 733148885 MLDWBFZKOTVULG-UHFFFAOYSA-N 398.423 -1.069 30 20 GAED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CC(N)=O)c2=O)cn1 772314700 PABLUOSSWGHMGM-UHFFFAOYSA-N 386.437 -1.279 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076699 DUFYONXCOUOWKS-JUFZMCDQSA-N 397.384 -1.881 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793342465 PJSHQCHFJFFKIB-USRAEIGSSA-N 380.445 -1.793 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(=O)O 1835354038 LCXIAOPFTCWKQP-DYVFJYSZSA-N 382.417 -1.191 30 20 GAED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1836028281 BOUHZIPQTHHYFC-QGZVFWFLSA-N 392.368 -1.535 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856688 DUWALDLPQCUPII-RDTXWAMCSA-N 381.429 -1.383 30 20 GAED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 409571884 XSZBNSMRRSCHRA-LBPRGKRZSA-N 385.446 -1.384 30 20 GAED Cn1cc(C#N)c(=O)n(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1=O 536500626 AJHVSDFUQKYLMV-UHFFFAOYSA-N 387.381 -1.154 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 571575907 IXECXMBHQSZESI-GFCCVEGCSA-N 377.382 -1.401 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCO)CCN2CCOCC2)cc1 589464648 TVVRDTPUBHZMPB-UHFFFAOYSA-N 396.469 -1.010 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 751984349 AYFHVARXUPINTP-AWEZNQCLSA-N 381.458 -1.100 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1 772692815 CBTDLBNXNPHUES-INIZCTEOSA-N 384.502 -1.060 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCNC(=O)C1 960728990 KNPNALNZZNWGRF-FXUDXRNXSA-N 392.456 -1.553 30 20 GAED O=C(C#CC1CC1)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@@H]1O 1757172176 XLOJWMGQDIZTMZ-BDXSIMOUSA-N 391.468 -1.033 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786790095 KIJNNSPOPOUMJQ-AVGNSLFASA-N 388.361 -1.005 30 20 GAED C=CCN(CC=C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 297599358 UGDBULWZSVJHAS-UHFFFAOYSA-N 399.517 -1.177 30 20 GAED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc3ncccn3n2)C1 349476506 PJYOVQLEQUIFII-UHFFFAOYSA-N 399.458 -0.569 30 20 GAED C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)S(N)(=O)=O 541028445 DZLRKPMTKMYHDO-LLVKDONJSA-N 380.430 -1.605 30 20 GAED C=CCN(C(=O)CNS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 619564380 AIPYDNJDJVTMGT-LLVKDONJSA-N 376.460 -1.100 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 728535036 VYZSZYZHZMKLCS-UHFFFAOYSA-N 377.445 -1.009 30 20 GAED C[C@@H](CC(=O)NS(=O)(=O)CC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 766929090 KKJJPFOLURVZFH-QMMMGPOBSA-N 388.427 -1.565 30 20 GAED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c(=O)n2C 825375659 NCOFBIUHZBWAKH-KRWDZBQOSA-N 388.384 -1.215 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)N(C)C)CC2)c1=O 915207293 QWABCOVZTIVABU-UHFFFAOYSA-N 378.433 -1.200 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 1261484961 ODILPLIGEAKATI-GOSISDBHSA-N 377.445 -1.370 30 20 GAED C=CCn1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nn1 1345780879 ILHIEDJEAPKOAC-CYBMUJFWSA-N 397.457 -1.048 30 20 GAED C#CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286158 VDFUPKVUSKXENQ-LBPRGKRZSA-N 386.416 -1.235 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[nH]n3)cn2)nn1 1573348299 OSIHYAZSFAGNAD-SNVBAGLBSA-N 385.392 -1.021 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)CC1 1588352058 RXMRSGSTHSLQQQ-CABCVRRESA-N 397.443 -1.332 30 20 GAED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1800996353 BGRAGBUBKMDWBI-XOIINTDNSA-N 385.486 -1.118 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801121104 ZJKKHEXUMAUPCS-YQYWCBKUSA-N 375.337 -2.411 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)CC1 1835342731 NPTPJLAFMKNNTK-GOSISDBHSA-N 390.444 -1.413 30 20 GAED NC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443609 MCBBQSYVSREDQY-LFFOTJSSSA-N 396.492 -1.800 30 20 GAED CN1C[C@H]2CC[C@H](CC1=O)N2S(=O)(=O)CCCS(=O)(=O)NCC#N 349483271 QJPWRIZQIZTNEU-VXGBXAGGSA-N 378.476 -1.156 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)nc1 595988669 QBTQTYMOIGWFQR-GJZGRUSLSA-N 397.439 -1.628 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)CC1 1118891689 ZITYYFKLNYPIBL-KDURUIRLSA-N 379.457 -1.186 30 20 GAED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1321178116 GOKNHKSFCRRIKV-ZDUSSCGKSA-N 377.401 -1.429 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1323528477 QMDXSJWUSLUQMA-ZDUSSCGKSA-N 382.417 -2.167 30 20 GAED N#CC1CCC(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 1324190474 ZDGZDSJDKCEHNQ-UHFFFAOYSA-N 388.432 -1.210 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCN(C)S(C)(=O)=O)CC1 1330175830 AUKQMUYAGIYHRR-UHFFFAOYSA-N 386.474 -1.628 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1783567753 YDHYBZDUYAXCGR-AWEZNQCLSA-N 391.302 -1.417 30 20 GAED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(O)O)C3)C2)cc1 1829898376 ARZHEROTRMGNIO-LJQANCHMSA-N 389.408 -1.132 30 20 GAED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041071 OFKONBVXLFJILI-GOSISDBHSA-N 390.396 -1.264 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 368224418 JUOIRLXVBNXBLZ-KBPBESRZSA-N 378.410 -1.048 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 431193254 NVHLJMWZOIJWOM-CQSZACIVSA-N 391.472 -1.250 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN4C(=O)NC(=O)[C@H]4C3)CC2)o1 492631520 SLWSMWOEKIBJBH-CYBMUJFWSA-N 387.400 -1.261 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)OC)CC2)CC1 761032534 JPEMLXMEEJRRPU-UHFFFAOYSA-N 386.474 -1.517 30 20 GAED CCONC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942545 PMMYCRRCQVESJH-UHFFFAOYSA-N 376.416 -1.166 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 970612822 GZHLRUSGEJVXPH-LPTSXCQYSA-N 378.389 -2.202 30 20 GAED C#CCSCCn1nnnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1120165419 FEZXSHBQWBMEIP-UHFFFAOYSA-N 393.473 -1.453 30 20 GAED C#CCNC(=O)C1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 1322720699 NXBXVBQCNDWUIS-UHFFFAOYSA-N 392.503 -1.730 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1327095551 PCBVFLLAKUZCLK-UHFFFAOYSA-N 386.430 -1.033 30 20 GAED N#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1592678108 PGGVRZNQKIUZAG-NSHDSACASA-N 378.418 -1.063 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1783567201 IKVAUWHCTMHNSL-GOSISDBHSA-N 377.397 -1.083 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836207031 ZMOBYWKJJUCUPH-YJBOKZPZSA-N 391.428 -1.227 30 20 GAED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840042091 ZZINNTGBQTXFNM-KRWDZBQOSA-N 392.368 -1.535 30 20 GAED C=C(C)Cn1c(-c2cn(C)nn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 669332563 DVNAKWWSKXVABS-UHFFFAOYSA-N 398.435 -1.015 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1023659337 SMHHUTFZNVTNPE-ZBYUQBLASA-N 379.413 -1.196 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1111019537 BQQMLNSRYHGWJR-PEBLQZBPSA-N 393.444 -1.247 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCOCc2cnn[nH]2)C1 1575014066 WZUKGJYKRDODDH-SUMWQHHRSA-N 379.417 -1.171 30 20 GAED Cc1c(C(=O)O)cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1C 1599984088 ABZIIVOFKVBQSG-UHFFFAOYSA-N 383.386 -1.258 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779086343 GHCUNURDHJQCEI-AYBZRNKSSA-N 395.456 -1.495 30 20 GAED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1784380384 FHYGWNWTIASEGM-AJNGGQMLSA-N 388.424 -1.022 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1834763786 YNBVULURWLBONT-QGZVFWFLSA-N 388.384 -1.441 30 20 GAED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840042904 VGAXSFCGWNQRTJ-SFHVURJKSA-N 388.380 -1.057 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC[C@@H](N)C(N)=O 1847261336 NGJUFOGRYFISAZ-BYENDBNQSA-N 377.445 -1.361 30 20 GAED CNS(=O)(=O)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 366719422 MMCPJFKGDNGURN-SNVBAGLBSA-N 386.455 -1.125 30 20 GAED Cn1cnc2c1c(=O)n(CC(=O)NS(=O)(=O)CC(C)(C)C#N)c(=O)n2C 776143208 NNUSHZNHCPTLEI-UHFFFAOYSA-N 382.402 -1.571 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 960974612 JPMWXVWJDQYHIZ-ZOBORPQBSA-N 392.412 -1.433 30 20 GAED C[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)N1CCOCC1 1341865178 JTVNJIHKQSYACL-PUSDIMDNSA-N 393.444 -1.146 30 20 GAED C#CCNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353610 YPYTYERGZBWENQ-WCQYABFASA-N 386.416 -1.237 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1792488804 WLWRLZZPHRRWSB-BEXDMUFCSA-N 388.428 -1.274 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831398743 KCYNMMRBMWHYRL-YJBOKZPZSA-N 391.428 -1.227 30 20 GAED O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260033 KKPKRALIVVTICO-DEDYPNTBSA-N 395.504 -1.052 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCC(=O)NS(C)(=O)=O)c1cc[nH]n1 281997047 HMIWYRRYCPRBSL-SFQUDFHCSA-N 389.390 -1.724 30 20 GAED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 372659725 ISNFDKITEPKCMK-LBPRGKRZSA-N 388.355 -1.055 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)CO)CC3)CC2)o1 503191771 KNMYLBRCWPKEKU-UHFFFAOYSA-N 376.417 -1.360 30 20 GAED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC(=O)NCC#N)CC2 508959727 KAAWTTOCTSFQCZ-UHFFFAOYSA-N 393.425 -1.370 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 892818124 IUDDSYORQXDUBD-CABCVRRESA-N 385.490 -1.356 30 20 GAED N#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108484362 AKVIPWMJEDNIAH-LJISPDSOSA-N 380.470 -1.018 30 20 GAED N#Cc1cn(CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(=O)nc1O 1135990978 UDUICDKWWUTOSR-UHFFFAOYSA-N 390.400 -2.176 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588711554 RRPMNJVTMXBVCG-SNVBAGLBSA-N 385.392 -1.599 30 20 GAED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1 1780333254 VKXIAEDKVIULND-ACJLOTCBSA-N 388.428 -1.077 30 20 GAED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1830396093 GSIQGLJPHKXFDT-SFHVURJKSA-N 375.381 -1.061 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831597848 LQWUCVUCUZHRSG-CLCXKQKWSA-N 395.456 -1.007 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)CCC1 1836152327 SVEQLYHCASTVNJ-QGZVFWFLSA-N 389.416 -1.177 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1840044024 ILUSQMCEIVRMQX-KROLTMCQSA-N 388.380 -1.033 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)C1=O 263987436 ZZCWCXDYKRTQGY-LLVKDONJSA-N 386.430 -1.107 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O 299601851 XUKOFFMXBRPZRW-LBPRGKRZSA-N 378.385 -1.187 30 20 GAED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC(CO)CO)c1 749666482 SPFIKYGWRKBHSM-XMHGGMMESA-N 398.441 -1.093 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 761035537 AJAPRQIJRHCGIQ-ZIAGYGMSSA-N 385.490 -1.816 30 20 GAED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 804550718 JZVBVNQZHZSMEM-UHFFFAOYSA-N 396.473 -1.200 30 20 GAED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 1193866427 GDVNIWQFTIIBBO-LVQVYYBASA-N 391.472 -1.031 30 20 GAED C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573285310 GLQXKHBFVUQCDS-UHFFFAOYSA-N 386.372 -2.363 30 20 GAED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575013715 SODKCWDSAZBWTL-DYVFJYSZSA-N 379.417 -1.171 30 20 GAED O=C1C=COC2(CCN(C(=O)Cn3cc(-c4nn[nH]n4)c(O)nc3=O)CC2)C1 1582756418 XIJDVWKASJJNQT-UHFFFAOYSA-N 387.356 -1.007 30 20 GAED N#CCNC(=O)CNC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1592677274 ANGUBGXATDDXMU-ZDUSSCGKSA-N 397.399 -1.093 30 20 GAED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)o1 1787031780 YUEKKGPDDOLCES-AVGNSLFASA-N 376.369 -1.012 30 20 GAED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839643718 LVDUOLUCOMTNND-KBXCAEBGSA-N 381.429 -1.129 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262638 ZAFCBUFGXJXBGB-GOSISDBHSA-N 390.396 -1.328 30 20 GAED COC(=O)CNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 574650825 JWHQJLPYTBPOQY-JTQLQIEISA-N 382.398 -1.370 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2nn[nH]n2)C1)c1cc[nH]n1 772225377 HPQNVHRWRFGBDA-SNVBAGLBSA-N 378.349 -1.193 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@H]1CCCO1 842163663 NXRHEYCTVYBNGZ-UONOGXRCSA-N 384.458 -2.271 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 962932211 SMHHUTFZNVTNPE-LKQDWFRTSA-N 379.413 -1.196 30 20 GAED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)nn1 968358865 LEIIJBUSYLDXSB-NEBZKDRISA-N 379.417 -1.040 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1058842547 LMNDPNSZNOAALU-CBBWQLFWSA-N 383.445 -1.062 30 20 GAED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072727 ZEJUJFORHNRYNR-AVGNSLFASA-N 386.426 -1.511 30 20 GAED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N1CCN(C)CC1 1800778740 OWFUPTKGCJXJMW-ZXFNITATSA-N 392.456 -1.700 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836207029 ZMOBYWKJJUCUPH-QAPCUYQASA-N 391.428 -1.227 30 20 GAED N#Cc1cn(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)nc1O 1540136107 LDTHJIJIHPKDND-UHFFFAOYSA-N 375.385 -1.082 30 20 GAED C#CCNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286123 UNDZFCKUPSXAOU-VXGBXAGGSA-N 386.416 -1.237 30 20 GAED N#CCSCC(=O)N1CCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1592679908 AEUZCBZCSHYTSK-SNVBAGLBSA-N 375.418 -1.025 30 20 GAED C#CCNc1nc(N2CCN(CCO)CC2)nc(N2CCN(CCO)CC2)n1 287024583 QLIIZSFCIBSPQV-UHFFFAOYSA-N 390.492 -1.855 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 349529487 ZWPGDPUCWYADCS-VXGBXAGGSA-N 378.476 -1.108 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CN2CCN(CC)C(=O)C2=O)CC1 363483465 IKFGSDQTCOEBES-UHFFFAOYSA-N 377.445 -2.039 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@H]1CCCO1 804869994 LQFAACSUYDRACU-CHWSQXEVSA-N 389.499 -1.222 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 1602882826 VTSLIPYFTIYWQB-MWLCHTKSSA-N 383.376 -1.586 30 20 GAED N#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1609494380 CFNINSFFMJNLMK-NSHDSACASA-N 377.386 -1.104 30 20 GAED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800262207 NFZFNXUDEZOXGO-YWVIFJGQSA-N 379.413 -1.078 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC1 374043929 GMWBTSOJUXLISP-HNNXBMFYSA-N 393.488 -1.324 30 20 GAED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)nc1 596002035 QLZCZBLIRZOMHG-ZNMIVQPWSA-N 398.423 -1.297 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)CC1 859178503 BUVXYFTYDIYELR-UHFFFAOYSA-N 379.442 -1.040 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1OC 946820167 RYLFNXAJSMOEJR-APIJFGDWSA-N 381.429 -1.222 30 20 GAED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831487797 RVHUVUPKPZWVBB-XJKSGUPXSA-N 387.506 -1.120 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837515622 XTDVMHLNCQCPME-WMZOPIPTSA-N 396.444 -1.603 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846451 KUTYFTXOMOUIAQ-PLNGDYQASA-N 389.412 -1.400 30 20 GAED CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349545464 ACBSAYLUCLKAQI-SNVBAGLBSA-N 389.459 -0.861 30 20 GAED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cnn2C)c1=O 795198567 YRYHPDWEXMXRMG-UHFFFAOYSA-N 385.449 -1.149 30 20 GAED C#CCNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nn2)C1 1107185053 HJHBKUOGKZFYQI-OCABDXPQSA-N 384.440 -1.076 30 20 GAED CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1335575980 OUCUVNCMXAZKRX-AWEZNQCLSA-N 383.474 -1.321 30 20 GAED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1CCN(C)CC1 1781098405 KXWHNNYKIVNBLB-KXBFYZLASA-N 392.456 -1.460 30 20 GAED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247721 MSJNCIKQALQMNB-ULQDDVLXSA-N 376.457 -1.237 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793342545 JSPKSAOUZYCVHI-JAAXMTQOSA-N 380.445 -1.793 30 20 GAED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846195879 NOGYKVYPEIMKJN-UHFFFAOYSA-N 376.413 -1.558 30 20 GAED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959242 CKZBEUADTHMUIO-UHFFFAOYSA-N 392.459 -1.166 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1109460838 BPNZDXSGVLPWSM-WOPDTQHZSA-N 381.414 -1.098 30 20 GAED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cn1ccnn1 1642300935 MNNGTFXIHYTDGX-NSHDSACASA-N 378.414 -1.116 30 20 GAED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1)C(F)(F)F 1839893176 NVPJJOCDSPSQTK-SMDDNHRTSA-N 380.367 -1.153 30 20 GAED N/C(=N\CCS(=O)(=O)N1CCSCC1)NCCCN1CCOCC1 304759198 QXUBNKPPODJZSU-UHFFFAOYSA-N 379.552 -1.008 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](NC(=O)CC)C2)CC1 459889556 VDHWNKRKEOOEQJ-HNNXBMFYSA-N 393.488 -1.050 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)N2CCCC2)c1=O 622188093 WOHBIWVOYWXBLO-UHFFFAOYSA-N 377.401 -1.718 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)C(=O)N2CCOCC2)CC1 871738284 GCYIQDOMAPZAFK-UHFFFAOYSA-N 394.400 -1.908 30 20 GAED N#CCCN1CCN(C(=O)C(=O)NC[C@@H](N2CCNCC2)C(F)(F)F)CC1 884723211 BYPIZEGEDFNMJZ-CYBMUJFWSA-N 390.410 -1.003 30 20 GAED N#CCCCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1322568451 GUUZQZYSPWCRCO-UHFFFAOYSA-N 377.401 -1.384 30 20 GAED N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)NCc3cnn[nH]3)CC2)c1 1577717607 KHFSZHBVTMIEOJ-UHFFFAOYSA-N 376.402 -1.136 30 20 GAED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2)C(=O)C(=O)O 1800255867 BTAXFNDAZQQQMX-PTEHBNRSSA-N 380.401 -1.331 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1809683314 UVAVBIZEWQTGSO-ZDUSSCGKSA-N 378.429 -1.102 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1829765322 VFNQZFFXTOWRFX-PYTPGESOSA-N 379.413 -1.110 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840041815 JKSWZEFCUBPGCK-INIZCTEOSA-N 378.341 -1.727 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cnnn1 1840480841 ZFIXPQWRFYZNOC-WBMJQRKESA-N 392.372 -2.222 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847801607 PSMBPGVAZSXMSM-DRZSPHRISA-N 385.384 -1.334 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349534523 HAKIFCNADLSPEM-CYBMUJFWSA-N 378.476 -1.250 30 20 GAED CN(C)S(=O)(=O)NCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 513116399 DTWLVXZCUYURNA-UHFFFAOYSA-N 388.471 -1.015 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)[C@@H]3C(=O)OC)C1=O 833376323 SJFRZOZFJONHDS-FSZOTQKASA-N 393.352 -1.174 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1O 970702686 XJJGUGIHKXKZBA-MQYQWHSLSA-N 379.417 -1.831 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 1025732799 KYPYACUUVWBBFL-LPWJVIDDSA-N 380.401 -1.793 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800581668 NYDDIYISYNJKJF-FVCICTRLSA-N 383.401 -3.049 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1830056110 MOGWGPPYTITUKH-UGSOOPFHSA-N 395.460 -1.415 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1835362053 BZXPMZWXECHLLS-SFHVURJKSA-N 398.460 -1.967 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349623793 SXMFQOIURYSOIE-RYUDHWBXSA-N 393.491 -1.363 30 20 GAED CCOC(=O)CN(CC(N)=O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749587531 SOYFUNPZHAREIV-UHFFFAOYSA-N 396.425 -1.008 30 20 GAED C#CCN=c1nc(N2CC[C@@H](CC(N)=O)C2)[nH]c(N2CC[C@@H](CC(N)=O)C2)n1 808122130 LKYISAICYRQZDA-STQMWFEESA-N 386.460 -1.258 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1110629159 HUJZDOOWFBLHCB-YJNKXOJESA-N 382.486 -1.119 30 20 GAED CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1256594826 SIQWUOAJBBGKMF-ZDUSSCGKSA-N 388.446 -1.153 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1782010836 GTZPYWCVGAFHSC-XWCIJXRUSA-N 379.369 -1.303 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1831401506 AYKZKJTWUDUOCZ-KBXCAEBGSA-N 397.428 -1.163 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834873941 SBUZMQDEVIDXTB-UHFFFAOYSA-N 388.428 -1.062 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361466 SPLMRANMKCCBSC-HOTGVXAUSA-N 392.456 -1.631 30 20 GAED COC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041483 OYGAPAKNGBQKGD-KRWDZBQOSA-N 382.369 -1.516 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CNC(=O)CCN)C1=O 262830347 UYKNESMVZSIIMH-LBPRGKRZSA-N 379.417 -1.191 30 20 GAED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H](C)C1 349506283 SVWCEUPEHDINBC-NWDGAFQWSA-N 380.492 -1.006 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1O 1025711387 QHPARCHXDAFIFG-SYQHCUMBSA-N 386.412 -1.054 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CCN(CC#N)CC1)C2 1320743670 PGJZYUZUDORYBW-UHFFFAOYSA-N 390.448 -1.354 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cn2)CC1 1588658568 AWLMEWAAFWSKRN-UHFFFAOYSA-N 399.415 -1.353 30 20 GAED CN(C)C(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009657 SJPJVUGQVCFPCD-FZKQIMNGSA-N 394.428 -1.141 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785032139 OHCOBMGLVLAQKU-SRVKXCTJSA-N 392.368 -2.394 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831751945 SLWIIZKXURKYRY-OAHLLOKOSA-N 380.382 -1.304 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1835353942 HQPLWSIXCAZHKG-GUYCJALGSA-N 381.433 -1.661 30 20 GAED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041550 TZGGRNZDMQEVIY-MRXNPFEDSA-N 377.357 -2.027 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840041925 PWBVSOYOKQXWEL-INIZCTEOSA-N 377.357 -2.178 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](N2CCNCC2)C(F)(F)F)C1=O 261752641 DWBYBWYSKGMOER-SNVBAGLBSA-N 391.350 -1.085 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O 268893509 DPEYHHCTAAKTHY-CYBMUJFWSA-N 391.428 -1.272 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 349529486 ZWPGDPUCWYADCS-RYUDHWBXSA-N 378.476 -1.108 30 20 GAED COC(=O)CN(CC#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 476551577 SAHFHJHDCDGMKA-SNVBAGLBSA-N 382.398 -1.023 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 490879518 UUNANEJZSIOXKC-GWCFXTLKSA-N 391.409 -1.012 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1 584850703 QPEPNGZTMRSNQZ-CYBMUJFWSA-N 399.498 -1.233 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1110271395 YTEMFCGYTRQMQQ-LOWDOPEQSA-N 376.421 -1.205 30 20 GAED CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839652958 DQXLJJFLMFLBPM-INIZCTEOSA-N 383.474 -1.160 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1024945926 UWRFREHDQNGDAS-TUVASFSCSA-N 376.413 -1.169 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC1CC1 1110461755 HIZUSGCBJPJKSB-MCIONIFRSA-N 375.429 -1.164 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCCO1 1323529054 VUVQLXHPMBVTFZ-CABCVRRESA-N 378.429 -1.520 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1330628130 OOTYATGIBYVBIO-KRWDZBQOSA-N 392.504 -1.433 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781312739 CEQANBHDNJZYRU-JXCVUKRWSA-N 381.429 -1.316 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783564724 KNKUVPZGAAPGEB-RDJZCZTQSA-N 381.385 -2.445 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1793342612 UNXZPYBQCXJKJN-CUSZFKRNSA-N 379.457 -1.054 30 20 GAED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1797744366 GHQQIFBGHXSHJH-JVZOWTQYSA-N 393.488 -1.230 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801435728 XXHDKNDVUOADKF-ARILJUKYSA-N 376.417 -1.138 30 20 GAED N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835515137 DVGYULBKCGCHKX-OAHLLOKOSA-N 384.414 -1.843 30 20 GAED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041717 DLAGHMWADAYLGO-ACJLOTCBSA-N 395.412 -1.602 30 20 GAED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846194868 YBQWMWGLMIMDCP-UHFFFAOYSA-N 383.426 -1.992 30 20 GAED C[C@H](CC(=O)N1C[C@H](O)C[C@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 862682279 WDGJJIAKSAMENZ-FOGDFJRCSA-N 380.426 -1.049 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCO1 1348118304 GYIAWWGRMZAFFS-HNNXBMFYSA-N 377.445 -1.106 30 20 GAED N#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1592678107 PGGVRZNQKIUZAG-LLVKDONJSA-N 378.418 -1.063 30 20 GAED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257563 ZREVIPWABIGNOD-IBGZPJMESA-N 379.457 -1.484 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788565914 RWWSGRMFZUFCOI-XUXIUFHCSA-N 394.428 -1.238 30 20 GAED CN(CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(=O)C(=O)O 1834767866 ZDIAQGUYZWGLLN-INIZCTEOSA-N 382.373 -2.101 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141912 HSYZTRPUNFOMFT-PBHICJAKSA-N 392.416 -1.832 30 20 GAED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 349463822 VLRNJJBAPMHDQR-UHFFFAOYSA-N 381.461 -1.040 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 349511756 QQHWYMZLCLPLIX-MBNYWOFBSA-N 395.503 -1.397 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850772 SQPWMYVWHHVOAU-INIZCTEOSA-N 383.412 -1.206 30 20 GAED C=CCN(C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H](C)COC 1327919840 OHIIVUQFPBALDJ-CQSZACIVSA-N 390.506 -1.271 30 20 GAED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OCc2cnn[nH]2)CCCO1 1575004887 OTKPYXAFYOVSIG-UKRRQHHQSA-N 378.433 -1.334 30 20 GAED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588353503 VMDQAIVFTGDXEJ-JTQLQIEISA-N 392.397 -1.174 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2nc(-c3nn[nH]n3)cs2)c(=O)n(C)c1=O 1609479863 UKUFAGKNJXEPTO-UHFFFAOYSA-N 397.402 -1.967 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1782015465 NXRWHUBXKNBLMF-SNUQEOBHSA-N 377.397 -1.276 30 20 GAED Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1O 1785595746 NQHUXDIDWNBHQF-GVXVVHGQSA-N 376.369 -1.193 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793941929 PDNWDISWWMLEFQ-ZHZXCYKASA-N 392.412 -1.788 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839808193 NKZDGLLTYZURSE-GOSISDBHSA-N 390.396 -1.198 30 20 GAED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040338 VICGORRDZYTDFX-YJBOKZPZSA-N 382.413 -1.062 30 20 GAED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1840466411 GEHVUPPFXKZGOO-GOSISDBHSA-N 390.396 -1.493 30 20 GAED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262348620 YJKFVNZNUFBSAZ-AWEZNQCLSA-N 396.492 -1.568 30 20 GAED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 349515995 CGQHOLVWKNKXFV-RYUDHWBXSA-N 380.492 -1.006 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H](CO)O[C@H](C)C3)CC2)c1C#N 410834950 MARHUGHTLSFEMK-OCCSQVGLSA-N 390.444 -1.143 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCOCC(N)=O)cc1 569259059 SPOFBYAGLFGRII-JTQLQIEISA-N 390.443 -1.343 30 20 GAED C=CCS(=O)(=O)CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 783002750 WCXSDSRFRGKWLI-UHFFFAOYSA-N 382.508 -1.536 30 20 GAED CCN(CC)S(=O)(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 813282235 NBVKSVYSXJBJHD-UHFFFAOYSA-N 384.462 -1.336 30 20 GAED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)O[C@H](C)C(=O)NCC#C)O1 850142104 MAEIFCQETUKUNB-KPWCQOOUSA-N 378.381 -1.104 30 20 GAED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1327022223 OKRPKJUMFHIMPV-KBXCAEBGSA-N 379.461 -1.078 30 20 GAED C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1342614896 IATODULRWLCWMX-OLZOCXBDSA-N 387.444 -1.053 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1346401482 QGHLQCLVUORRDQ-CYBMUJFWSA-N 384.458 -1.876 30 20 GAED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575005200 XBJBFYFRUDGCNZ-OCCSQVGLSA-N 376.417 -1.091 30 20 GAED N#C[C@@]12CN(S(=O)(=O)N3CCC(C(=O)O)CC3)C[C@H]1CS(=O)(=O)C2 1601078978 BGJYQXAMDCMLBW-AAEUAGOBSA-N 377.444 -1.102 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1840041370 JKGZLZNYEYUNSD-SFHVURJKSA-N 380.397 -1.043 30 20 GAED CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3cnn(C)c3)c(=O)n2C)CC1 297516888 BACWHKAMWDUQIW-QIMRWHRKSA-N 386.481 -1.153 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349494588 LFKIFJHGUKAZCH-QWRGUYRKSA-N 379.464 -1.753 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]21 960977529 KEUFOAGTVZBJIW-NOOOWODRSA-N 391.384 -1.074 30 20 GAED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1342183708 IJNZUQQISIGYKN-NWDGAFQWSA-N 394.457 -1.065 30 20 GAED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)nn1C 1800778015 RJGVEJXRXKZXSX-CULMDFNYSA-N 376.369 -1.280 30 20 GAED CN(CC(=O)N1CCN(CC(N)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 47629066 WAXRYLYTMPITJB-UHFFFAOYSA-N 379.442 -1.192 30 20 GAED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 287076735 VBKKAVGGGZIZOY-INIZCTEOSA-N 385.472 -1.036 30 20 GAED N#CCCn1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 438314479 YPYNMWVGSITLAQ-UHFFFAOYSA-N 389.416 -0.668 30 20 GAED N#CCCC1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 572602375 NXRFGMIBAUENEX-UHFFFAOYSA-N 397.501 -1.025 30 20 GAED CCN1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC)C[C@@H]1C#N 602358233 SCYDWUHCSDLFBB-BBWFWOEESA-N 393.488 -1.009 30 20 GAED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 1324380698 CJJZAHIJFXXZRU-UHFFFAOYSA-N 386.437 -1.607 30 20 GAED N#C[C@H]1CN(CC(=O)N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)CCO1 436130291 IKGXWRXWGWAKGD-HOTGVXAUSA-N 390.444 -1.894 30 20 GAED CN(CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 489591314 DKUDBUPGKMLSAF-CYBMUJFWSA-N 391.409 -1.059 30 20 GAED N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 565969324 SNKQWGUZDQIJDU-YPMHNXCESA-N 384.389 -1.294 30 20 GAED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N(CCO)CCO)cc2)CC1 573266821 PMQAAILRIZRJHB-UHFFFAOYSA-N 389.455 -1.004 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 766413137 XKAQIUNTAXDZMW-UHFFFAOYSA-N 395.460 -1.479 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)O)C1=O 833376333 SJFRZOZFJONHDS-QSFUFRPTSA-N 393.352 -1.174 30 20 GAED CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1O 1193875402 SEAIYWKOVYRWOI-GKLJAUDBSA-N 390.444 -1.218 30 20 GAED CNC(=O)[C@@H]1CN(c2ccc(C#N)c(N3CCO[C@@H](C(=O)NC)C3)n2)CCO1 1320781076 AQJXAAJRGKETLG-UONOGXRCSA-N 388.428 -1.144 30 20 GAED C#CCN(C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)[C@H]1CCS(=O)(=O)C1 1573282907 NMQNFVFXHGBHBT-VIFPVBQESA-N 393.385 -2.222 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CNCC(=O)NCc2cnn[nH]2)C1 1575013041 JWGLCRSTDAXUEQ-DZGCQCFKSA-N 378.433 -1.334 30 20 GAED C#CCN1CCC[C@H](NC(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1588352420 JWAWZBLUDARWRF-NSHDSACASA-N 387.404 -1.474 30 20 GAED CN1C[C@H](C(=O)O)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1598565738 ZRQHLSIPHUPEQA-SNVBAGLBSA-N 380.382 -1.521 30 20 GAED COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1642654501 WYPKIJADYOAQCF-LLVKDONJSA-N 385.446 -1.178 30 20 GAED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 1776201997 NYBCJZXONOULGF-AAEUAGOBSA-N 376.435 -1.043 30 20 GAED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787409498 BMOBTYBBLSBAGB-CYDGBPFRSA-N 380.401 -1.499 30 20 GAED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831614972 AKJPWTDNFRVLDK-SJCJKPOMSA-N 381.385 -1.958 30 20 GAED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835750352 VKEVDOAUGLYVAP-BEFAXECRSA-N 394.472 -1.161 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839192259 VCLDDMHOVCXBKJ-MAUKXSAKSA-N 384.429 -1.510 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349523485 OIFBTOQYXJGYBB-RYUDHWBXSA-N 378.476 -1.156 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN4C(=O)NC(=O)[C@@H]4C3)CC2)o1 492631526 SLWSMWOEKIBJBH-ZDUSSCGKSA-N 387.400 -1.261 30 20 GAED COC(=O)CNC(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 831243694 MPMMXSPJEKDJGX-VIFPVBQESA-N 383.382 -1.054 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC1 848071079 WWNIAMVLSUBQBD-AWEZNQCLSA-N 379.461 -1.714 30 20 GAED C=C(Br)CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1117182508 PNAZDZLTMOETKE-UHFFFAOYSA-N 384.252 -1.211 30 20 GAED C#CCNC(=O)CC(=O)NCC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354467 NGNXANUKZPLEEB-UHFFFAOYSA-N 384.400 -1.041 30 20 GAED CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591038672 JXJVZRSQGYQXGX-NSHDSACASA-N 375.393 -1.801 30 20 GAED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830398004 LYANMAZUOSSMPU-OGUWASHFSA-N 381.385 -1.534 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)c1 1838738828 CJICWBAYUIIPBM-GOSISDBHSA-N 392.412 -1.035 30 20 GAED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 329147987 BDRUJBTUHBYDBW-CABCVRRESA-N 376.461 -1.679 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 409586866 LWBDIFCRBKDQCV-MGPQQGTHSA-N 394.519 -1.200 30 20 GAED C=CCCSCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 595284752 VSCBTOXUIJYDEB-UHFFFAOYSA-N 390.531 -1.142 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 601419933 BAPMILKGFWZFPQ-UHFFFAOYSA-N 376.461 -1.533 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OCC(N)=O)CC2)c1=O 1116221740 LIJAGJNULFIOPT-UHFFFAOYSA-N 379.417 -1.533 30 20 GAED C#Cc1cncc(C(=O)NC[C@@H](CO)NC(=O)CC(=O)NCc2cnn[nH]2)c1 1575033163 VXURTKHBICSMSW-AWEZNQCLSA-N 385.384 -1.906 30 20 GAED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040867 CAGQRRSSCPRGQX-INIZCTEOSA-N 377.357 -2.027 30 20 GAED C[C@H](CNC(=O)C(=O)N(CCC#N)CCN1CCOCC1)S(N)(=O)=O 446524344 RVCGYTMGUTVIFF-GFCCVEGCSA-N 375.451 -2.146 30 20 GAED CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 600760923 MRRIZKUUTYQFID-BPNCWPANSA-N 389.455 -1.007 30 20 GAED C#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 848966980 KFULZJLPJJSZOC-CYBMUJFWSA-N 398.528 -1.232 30 20 GAED C#C[C@@H](NC(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1)[C@H]1CCCO1 1588330270 YKVNGSUIEGAKKG-VXGBXAGGSA-N 386.372 -1.124 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983376 ZUXJLTFXYGDRRE-CQSZACIVSA-N 391.302 -1.417 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(N)=O)C3)C2)CCC1 1840816204 QURXHRXVZAJEFN-QGZVFWFLSA-N 379.417 -1.195 30 20 GAED COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 409507266 IGUYHLNEDFPCCE-NEPJUHHUSA-N 376.435 -1.251 30 20 GAED N#Cc1ccc(OCCNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1 424503217 OMQXKVXXCUVKGE-ZDUSSCGKSA-N 395.393 -1.237 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 564136435 ACPJFRXZYHPQCM-UHFFFAOYSA-N 389.397 -1.390 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 581492134 VCEWUJHIUJOASW-NSHDSACASA-N 383.448 -1.333 30 20 GAED CNC(=O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 594636724 HPLMOXBYOGWGFB-NSHDSACASA-N 380.492 -1.004 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 595990244 WAWPWLFMWXXDLY-KGLIPLIRSA-N 392.460 -2.797 30 20 GAED CS(=O)(=O)N1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 844826627 YOCNLBOCXSFWCT-SNVBAGLBSA-N 386.455 -1.125 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1258346463 JLLGBNIFKQYCOQ-OAHLLOKOSA-N 393.469 -1.112 30 20 GAED CCn1nccc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 1320139252 BZEFNSGXSFPWBB-UHFFFAOYSA-N 392.466 -1.298 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 1328247270 CKIMWVWHLJUWNT-INIZCTEOSA-N 376.457 -1.093 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1791075661 JZLZUYWJMLCAMX-DCAQKATOSA-N 391.340 -1.001 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132173 NCGKNDUZKPZQKR-CRAIPNDOSA-N 391.428 -1.227 30 20 GAED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041849 KPGVUXLHHQVLFD-SJKOYZFVSA-N 396.400 -2.022 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)C1=O 726042768 MCSBCWRKZFYOFL-LBPRGKRZSA-N 394.384 -1.367 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 969716322 OWBYXPLURKFKRU-NDBYEHHHSA-N 380.401 -1.793 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C2 1326261526 RKMCEMOQKPOWFH-NWDGAFQWSA-N 389.416 -1.716 30 20 GAED N#CCCN(CCC#N)C(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1473297810 OPIWKZGKRGDZBF-LSDHHAIUSA-N 383.474 -1.582 30 20 GAED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588500782 DCWVHEKHMRXDHR-BFQNTYOBSA-N 375.389 -1.177 30 20 GAED CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1710988237 RUSCRILDZRBYLN-RYUDHWBXSA-N 382.446 -1.003 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073260 XMQJDNNZLLIIQR-LSCOMCSBSA-N 389.408 -1.088 30 20 GAED NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798357900 RJJTZQXXHLQQIR-DDFAGTSDSA-N 387.352 -2.133 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395339 FBQHOPJMIAJUBU-OXIQGZBJSA-N 384.410 -1.759 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)CC1 1835343051 YLVHFDUIRPUQMX-FZKQIMNGSA-N 393.444 -1.661 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838805283 HWUDYHHUYSNEJW-KRWDZBQOSA-N 393.352 -1.675 30 20 GAED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840160116 XHZJUKIMVAQXCX-MQIPJXDCSA-N 388.490 -1.646 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(N)=O)C3)C2)CCC1 1840816203 QURXHRXVZAJEFN-KRWDZBQOSA-N 379.417 -1.195 30 20 GAED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 443487430 HFHQGFFJADKUTH-SECBINFHSA-N 379.354 -1.202 30 20 GAED N#Cc1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)c[nH]1 960270035 MLOHUFHYCBGPDH-BYNSBNAKSA-N 387.396 -1.029 30 20 GAED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cncn2C)C1 1131010640 WQTDIJYKZVYBGT-CFAJVAMVSA-N 390.444 -1.252 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)CN1CCCC1=O 1324140896 YKZJHSKNFPICSA-LLVKDONJSA-N 380.426 -1.175 30 20 GAED CC(C)(O)CN1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1328816849 PPTNEFKRXXXDLY-PFONDFGASA-N 393.444 -1.456 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)CNC1=O 268838487 VDLMXXMMCRXXFJ-JTQLQIEISA-N 379.398 -1.107 30 20 GAED CN(C)S(=O)(=O)NCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583695481 JQEBPUBVZZIYDD-UHFFFAOYSA-N 389.459 -1.651 30 20 GAED N#Cc1sccc1N1CCN(C(=O)C(=O)NCC(=O)N2CCNCC2)CC1 595281961 NODQQCURKQFGIG-UHFFFAOYSA-N 390.469 -1.184 30 20 GAED C#CCNS(=O)(=O)N1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 761036827 LEELLUWPTXQYIG-UHFFFAOYSA-N 383.474 -1.064 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 1117016437 CEDADUHFNRESEG-UHFFFAOYSA-N 391.472 -1.745 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3cc(C#N)ccn3)CC2)c(-c2nn[nH]n2)c1=O 1581748181 RJARHGFNFWLSPJ-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 1588353677 AOYSXZJICDFNPG-UHFFFAOYSA-N 380.394 -2.930 30 20 GAED C#CCO[C@H](C)C(=O)N1CCC(O)(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588357503 KKYUKJAZZAXNGL-GFCCVEGCSA-N 386.416 -1.118 30 20 GAED C#CC[C@H](CCOC)NC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602697859 UHTHWBVIAYFBSB-SNVBAGLBSA-N 376.377 -1.143 30 20 GAED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 1602722446 ROYYBFGKKNMQKU-HNNXBMFYSA-N 399.455 -1.027 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632836 VIKCADGNSNCVNK-QKDZRIPBSA-N 396.488 -1.258 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832475503 KURUHVCDHVISKG-INIZCTEOSA-N 379.373 -2.092 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=N)N)C3)C2)c1 1838735164 XXFVTVQRHCQLKJ-KRWDZBQOSA-N 389.416 -1.561 30 20 GAED CCOC(=O)C1(S(C)(=O)=O)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 804825248 LPCUPBJNHWGNCX-UHFFFAOYSA-N 398.441 -1.098 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)O)C1=O 833376175 PFYIYFGDFFUWQJ-UWVGGRQHSA-N 381.341 -1.172 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)COC)CC2)c1=O 917459883 QEKCBHRDCKJXBC-UHFFFAOYSA-N 393.444 -1.272 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1023773306 BXWVIUOBGDYUPB-JHEVNIALSA-N 378.385 -1.622 30 20 GAED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(=O)Cn2cncn2)n1 1092979704 ICQNDAVCBVUBTF-MCIONIFRSA-N 381.400 -1.018 30 20 GAED CC1(C)NC(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1=O 1110062071 CNXDPYRAPQZAHE-WOPDTQHZSA-N 376.417 -1.322 30 20 GAED C#CCSCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1326868940 GHVISDVDADFXIM-UHFFFAOYSA-N 380.470 -1.238 30 20 GAED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599749 HSZJBBMPOPVNCH-XQLPTFJDSA-N 379.461 -1.008 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800193986 GPWRWYZVDVONHI-AFIMGQEJSA-N 388.424 -1.129 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840041028 LLZMWTMTNQGHIE-SFHVURJKSA-N 389.364 -1.522 30 20 GAED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 409476025 JWWRWUXUKDOVQP-UHFFFAOYSA-N 395.463 -1.210 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(=O)NCC)CC2)C1=O 410881236 BSMYBJATLUXODV-AWEZNQCLSA-N 379.461 -1.488 30 20 GAED COC(=O)CN(CC#N)C(=O)[C@@H]1CC[C@@H](C(=O)N(CC#N)CC(=O)OC)O1 427472220 DXPKNEMEFWMTTF-RYUDHWBXSA-N 380.357 -1.416 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 502258494 OCZQHCXULZLOGH-HUUCEWRRSA-N 391.472 -1.298 30 20 GAED CN1CCN(C(=O)Cn2cc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cn2)CC1 511459456 GGCIDPROJVBDII-UHFFFAOYSA-N 386.416 -1.330 30 20 GAED C#CCN1CCN(C(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)CC1 750003450 FJWGBAJNMOMOPF-AWEZNQCLSA-N 391.428 -2.067 30 20 GAED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CNC[C@@H]2C#N)c1 834512042 REXVEKKEGWVYOQ-JSGCOSHPSA-N 379.442 -1.106 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 970762982 KYPYACUUVWBBFL-NDBYEHHHSA-N 380.401 -1.793 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2nnn(Cc3noc(C)n3)c2C)CC1 1261439483 KXFZWNPHCFGUIT-UHFFFAOYSA-N 386.416 -1.167 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 1329348975 GYOCYEQEXPDDAK-ZSMSVSEMSA-N 386.408 -1.213 30 20 GAED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1329792636 KXVREGOQRMABBC-SNVBAGLBSA-N 386.477 -1.801 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831023984 NGTMSOXWSTWPFK-KRWDZBQOSA-N 395.368 -2.017 30 20 GAED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)C(=O)O 1835765917 HNFMWVITBSMUSZ-OZVIIMIRSA-N 389.474 -1.176 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 571938319 AXKKXBALHLRDAB-ZDUSSCGKSA-N 399.498 -1.233 30 20 GAED N#Cc1cn(CC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c(=O)nc1O 1303052750 MNCBENGONYGKIU-HNNXBMFYSA-N 390.444 -1.267 30 20 GAED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1324405019 BTQYGMGAYUFHIL-ZDUSSCGKSA-N 378.451 -1.055 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 1350413069 ZXRZLPGDJFXBFG-LLVKDONJSA-N 380.448 -1.324 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 1588353964 CIYZRLXSDOHSBM-UHFFFAOYSA-N 390.429 -1.683 30 20 GAED C#CCO[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602727482 YPWXFSAZRUFQSW-NSHDSACASA-N 375.389 -1.216 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831402049 MEJIKJITIBYKPV-KSSFIOAISA-N 381.429 -1.383 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CC(C(N)=O)=NO1 281517722 HELQFMWEICADDD-MWLCHTKSSA-N 379.398 -1.029 30 20 GAED C/N=C(/O)N1CCN(C(=O)COCC(=O)N2CCN(/C(O)=N\C)CC2)CC1 329412964 YKQPMIWXASATDH-UHFFFAOYSA-N 384.437 -1.621 30 20 GAED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C(=O)O[C@@H](C)C(=O)NCC#C)O1 850142107 MAEIFCQETUKUNB-XDQVBPFNSA-N 378.381 -1.104 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@H]1O 1077698850 CGMAHPZYXUWRCM-LPWJVIDDSA-N 379.417 -1.390 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1329866862 KNQPQSWVARAHEF-HNNXBMFYSA-N 384.502 -1.611 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)CC1(CC#N)CC1)C2 1661422355 QNYYRSKSHQXEBZ-UHFFFAOYSA-N 382.446 -1.028 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782745811 WAIFENQIRKNSRY-SCLBCKFNSA-N 395.412 -1.602 30 20 GAED C[C@@](O)(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(F)(F)F 1800774016 MMSMJSKDZFDZKA-XSPYEYLBSA-N 378.303 -1.023 30 20 GAED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1834176198 FPFSZCJRZGXMSP-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837204642 KJOYOBXJKPQYJK-CJNGLKHVSA-N 384.389 -1.579 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839159547 ZZPYGFCLOQSNLH-RKVPGOIHSA-N 381.429 -1.384 30 20 GAED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1840159639 JHPOSQGITPOQDR-OZVIIMIRSA-N 388.490 -1.646 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840844662 HHHJVVAOELSHRE-IBGZPJMESA-N 389.408 -1.219 30 20 GAED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600769213 QZWBMCIMPDMZQE-OBJOEFQTSA-N 395.503 -1.255 30 20 GAED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601473177 BTRKEBTXSXNKFN-INIZCTEOSA-N 390.488 -1.191 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)N[C@H](C)COC)C1=O 726043078 RBFMBNKRIGKERW-SECBINFHSA-N 384.345 -1.633 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN3C(=O)OC[C@H]3C2)CC1 848958799 FAKXAVWIDJADFQ-LLVKDONJSA-N 392.459 -1.182 30 20 GAED N#CC1(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CCOCC1 1136949189 MPJITTZGBSAEKG-CQSZACIVSA-N 398.485 -1.246 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCO 1799336811 ZXHZWGHXWJYLBN-MIFYACCESA-N 382.461 -1.133 30 20 GAED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831190448 AZSLPUIZRMADRS-ACJLOTCBSA-N 395.412 -1.555 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 349453980 BDZUSAFZEVMOSQ-VXGBXAGGSA-N 399.516 -1.199 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)C1=O 549721938 MVLPCCPHAAWDHR-NEPRZXBWSA-N 375.381 -1.450 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)[C@H]1CCCO1 1320513227 MJWRDZKLENBPJC-ZIAGYGMSSA-N 377.401 -1.119 30 20 GAED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617439 LBNVTJNNIRIILY-QXEWZRGKSA-N 378.410 -1.134 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1837503940 ZMBMDOIRABHLOQ-CRAIPNDOSA-N 396.396 -1.429 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnn1 1840044757 VSNBILXIAIGLNM-SUMWQHHRSA-N 391.384 -1.617 30 20 GAED N#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 283532546 DHHLCFWIYWYLFY-UHFFFAOYSA-N 382.384 -1.468 30 20 GAED C[C@H](NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N)C(N)=O 349560890 CEBRXSMEWSXMBW-VHSXEESVSA-N 384.505 -1.560 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349623792 SXMFQOIURYSOIE-NWDGAFQWSA-N 393.491 -1.363 30 20 GAED CCOC(=O)c1nn(C)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 769799104 HLOGIKCAYRAGJW-UHFFFAOYSA-N 398.401 -1.693 30 20 GAED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 800001798 NSMZBRCAHQITOE-CYBMUJFWSA-N 395.507 -1.340 30 20 GAED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1129106323 JXCNXQVJOIGSSU-MFAUZPSPSA-N 385.428 -1.317 30 20 GAED C#CCN1CCN(C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)CC1 1320402179 AWVVGPZXBWASRE-JKSUJKDBSA-N 384.502 -2.461 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C 1602722149 CWIMKRDAFARATB-GXFFZTMASA-N 384.400 -1.089 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835542513 QOVSMOVBRLECHI-CQSZACIVSA-N 375.318 -2.199 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838654622 CXTXGNKBNIYZEQ-SFHVURJKSA-N 389.364 -1.055 30 20 GAED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076957 YEYRXAVPGDHRJX-BXWFABGCSA-N 377.441 -1.421 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1839808490 RNRQVMSIONXNBT-YJBOKZPZSA-N 396.396 -1.429 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840041365 JEKLILTZLQBKEE-KRWDZBQOSA-N 376.369 -1.573 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)C1=O 268392045 PWISHHQLGDDTTE-MNOVXSKESA-N 386.430 -1.203 30 20 GAED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1213437893 KYPASIONRVQJRN-YIYPIFLZSA-N 381.433 -1.923 30 20 GAED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1329792634 KXVREGOQRMABBC-JTQLQIEISA-N 386.477 -1.801 30 20 GAED CN1CCN(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783561098 CQSJEBKENRTTHI-LJQANCHMSA-N 392.456 -1.458 30 20 GAED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(N)=O 531630077 LLHZRMWZHXPPQQ-UHFFFAOYSA-N 383.433 -1.096 30 20 GAED CS(=O)(=O)N1CCN(CCNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 619708030 RQPRSODRHXYFAI-GFCCVEGCSA-N 381.480 -2.378 30 20 GAED C#CCNC(=O)CN1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 728573394 PCRSSEDOISRSKI-GFCCVEGCSA-N 390.444 -2.396 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC)c1cc[nH]n1 770823220 HPYDBJFYHPADBS-NSHDSACASA-N 395.372 -1.416 30 20 GAED O=C(CCN1C(=O)CCC1=O)NCC#CCNC(=O)CCN1C(=O)CCC1=O 1337728263 QWWCPVBNLRFNQZ-UHFFFAOYSA-N 390.396 -1.700 30 20 GAED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262152 BJOKZWJYRWWOOU-XJKSGUPXSA-N 375.491 -1.579 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794226245 DVHAAOQIKHTUBC-LXBXGBMDSA-N 388.428 -1.123 30 20 GAED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1836074439 AQYFHRAUPJWCTE-QGZVFWFLSA-N 392.368 -1.535 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 416663756 RZEWUAQXVGZVAE-LBPRGKRZSA-N 376.435 -1.153 30 20 GAED N#Cc1ncn(CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 558159838 RWTJOGSZQRDXIV-LBPRGKRZSA-N 385.450 -1.063 30 20 GAED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 728570585 FXGWWXPZZPYGME-QGZVFWFLSA-N 399.499 -1.119 30 20 GAED COCCN1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1328816420 MIAGDWJEYJDCKK-PFONDFGASA-N 379.417 -1.580 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795635765 KMNRWUGERLANLV-HAFSJTIUSA-N 397.476 -1.030 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359804 IYJUHSJAYVJHIZ-YJBOKZPZSA-N 396.444 -1.102 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575703 ZLDRAHIRIWWPBG-ACJLOTCBSA-N 397.476 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840044977 KJEOLLIFMSHPKH-RDTXWAMCSA-N 380.397 -1.043 30 20 GAED CN(Cc1nnnn1C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 563427102 KNJNQCQCPPJQFB-UHFFFAOYSA-N 385.431 -1.167 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)C1=O 726042320 HMKPFVWOOHYKOJ-SNVBAGLBSA-N 380.357 -1.627 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1O 1023939980 VVWGVYNXHYIJQD-VLXAULBPSA-N 379.413 -1.292 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 1328685812 XSURBYRXZISWHB-UHFFFAOYSA-N 392.460 -1.313 30 20 GAED C=CCN1CC[C@@H](N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O 1588655182 XSTPXDVNKAVERI-MCIONIFRSA-N 386.416 -1.243 30 20 GAED C#CCNC(=O)CN1CCN(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1752370421 KAJPKLCWHGWNRN-XYJFISCASA-N 378.473 -1.479 30 20 GAED CNC(=S)NCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779044193 XNXWCDVXTDHQGW-INIZCTEOSA-N 382.442 -1.612 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835633424 QZZUGGDJGZFPLJ-KRWDZBQOSA-N 378.433 -1.413 30 20 GAED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cncn1 1840044211 PZXBASBCMPZNHS-DYVFJYSZSA-N 391.384 -1.617 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840064559 UOCUXLKRHPMBPY-GOSISDBHSA-N 389.364 -1.055 30 20 GAED Cn1ncc2c(N3CCN(C(=O)Cn4c(=O)[nH]cc(C#N)c4=O)CC3)ncnc21 583499293 AQQKAYCAEQKSRY-UHFFFAOYSA-N 395.383 -1.566 30 20 GAED N#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)[nH]1 960268720 YOFXWDWRJKGMPX-BYNSBNAKSA-N 387.396 -1.029 30 20 GAED C[C@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CN(CC(=O)NCC#N)CCO1 1108089755 LQPLGOMFQBCGQR-KMCQBPLKSA-N 380.445 -1.115 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 1329114513 OPPBKSONZGDMLB-BXUZGUMPSA-N 389.455 -1.196 30 20 GAED C#CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588353369 PODCCFZOLLIMFK-AAEUAGOBSA-N 386.416 -1.237 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800516244 UTSOVNBGDUGVEH-LXLDKNIXSA-N 378.429 -1.300 30 20 GAED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040396 XWCGIRHJZFYOSU-FDQGKXFDSA-N 382.413 -1.062 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1840175131 FJNKTICKSWTLTC-QGZVFWFLSA-N 383.401 -1.438 30 20 GAED N#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 267333801 HQAVEAPGYHNMEY-UHFFFAOYSA-N 398.383 -1.115 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O 377201922 QVGAQNSBFSDPTJ-GFCCVEGCSA-N 398.441 -1.010 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H](C)O[C@H](CO)C3)CC2)c1C#N 410834949 MARHUGHTLSFEMK-JSGCOSHPSA-N 390.444 -1.143 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O 544825971 ONCBOGRPXFLMLJ-SNVBAGLBSA-N 390.356 -1.185 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCOCC(N)=O)cc1 568782297 LGULCBWGDDOTQD-UHFFFAOYSA-N 390.443 -1.389 30 20 GAED COC(=O)CNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 574650831 JWHQJLPYTBPOQY-SNVBAGLBSA-N 382.398 -1.370 30 20 GAED O=C1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCN(O)C3=O)c2)CCN1 816754022 UUWTYNVHUQOSLZ-CYBMUJFWSA-N 396.425 -1.083 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1111371107 SRHROURFNYQZSI-DGAVXFQQSA-N 375.429 -1.260 30 20 GAED N#Cc1cccc(CNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1319877972 FUVFKVHKBJBJQJ-IRXDYDNUSA-N 392.481 -1.050 30 20 GAED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588353370 PODCCFZOLLIMFK-DGCLKSJQSA-N 386.416 -1.237 30 20 GAED N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835632063 CFGQIFXMRNVYDH-LJQANCHMSA-N 389.456 -1.304 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839103042 CIHSQSCLNJZLQB-LPHOPBHVSA-N 378.473 -1.288 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)N(C)C)c1 288107982 BNGAXXKYKWLYRX-UHFFFAOYSA-N 388.471 -1.276 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 573852384 CASAPZNXTPIAHG-UHFFFAOYSA-N 389.397 -1.390 30 20 GAED COC(=O)CNC(=O)[C@@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 831243693 MPMMXSPJEKDJGX-SECBINFHSA-N 383.382 -1.054 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@@H]1CCCO1 842163662 NXRHEYCTVYBNGZ-KGLIPLIRSA-N 384.458 -2.271 30 20 GAED CCN1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3CN(CC)CCO3)[C@H](C#N)C2)C1 912536689 ZRYUQCRAVCSITR-IXDOHACOSA-N 393.488 -1.009 30 20 GAED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773896 LCVSGEZLBRPGBS-OHTBPHCPSA-N 386.426 -1.655 30 20 GAED C#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 848966981 KFULZJLPJJSZOC-ZDUSSCGKSA-N 398.528 -1.232 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1194872822 RFFXDMJLTSWKSH-ZHMBSYLPSA-N 396.444 -1.789 30 20 GAED C#CCNC(=O)CC(=O)NC1CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575004853 ODLGBTCDTCBIFS-GFCCVEGCSA-N 376.417 -1.044 30 20 GAED C=CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 271950613 BLYHWKXSAIMOAE-UHFFFAOYSA-N 380.426 -1.161 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1O 1025711286 MPOCPMYFHDIARO-ZRJCITRHSA-N 392.412 -2.023 30 20 GAED CC1(C)NC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1=O 1111353011 CNXDPYRAPQZAHE-UTUOFQBUSA-N 376.417 -1.322 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(NC(=O)COC)CC1 1117585977 BJDPHWJKAVJKJJ-UHFFFAOYSA-N 375.447 -1.543 30 20 GAED CC(C)CN1CCO[C@@H](CNC(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)C1 1589633113 KMRIZQDURBDPTL-NSHDSACASA-N 388.436 -1.010 30 20 GAED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1833882898 AYBSTJRPMOMHJM-INIZCTEOSA-N 377.357 -2.027 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041955 RRLJTYMWUFISOR-SJKOYZFVSA-N 396.400 -2.876 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1840842606 PVPBQPUCGJBJBS-IEBWSBKVSA-N 395.456 -1.493 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1841055481 IZGYCTHCXQZBHF-PLNGDYQASA-N 394.472 -1.665 30 20 GAED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1846196082 JFIQDAZPVONRHT-UHFFFAOYSA-N 381.348 -1.006 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 831585715 YWGHZEFNHPKWAO-MNOVXSKESA-N 396.391 -1.087 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@@H]1O 964192921 INIDYOVOOWEQGA-NOHGZBONSA-N 393.400 -1.044 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@@H]1O 970702218 MOFQNNNUYHHYGL-MQYQWHSLSA-N 392.412 -1.794 30 20 GAED C=CCn1c(O)nnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1257261061 LECVDDNNXYIMSE-UWVGGRQHSA-N 392.459 -1.023 30 20 GAED Cn1ncc2c(N3CCN(C(=O)C(=O)N4CC[C@@](O)(CC#N)C4)CC3)ncnc21 1326512896 JZYDMPZRBQNKIA-SFHVURJKSA-N 398.427 -1.111 30 20 GAED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 1326714966 CBOLKZJRJIPIGW-HUUCEWRRSA-N 384.502 -1.613 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCO1 1332301919 CSHQQOKQKPTUKA-CVEARBPZSA-N 379.461 -1.350 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](OC)C1 1757141766 CNQPEDNQYCRWLB-YIYPIFLZSA-N 389.474 -1.189 30 20 GAED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1779016246 AVUBFPXRYYLSRX-OXNWSPOFSA-N 390.448 -1.025 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793346797 NKNNRXVQNVIGLY-ARILJUKYSA-N 376.417 -1.138 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632244 GPOSAXLHYGRMFV-GOSISDBHSA-N 392.460 -1.167 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1835926393 WANJPJCWBLVGOE-KRWDZBQOSA-N 386.368 -1.879 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840043400 VZISJLRFARXYOV-GOSISDBHSA-N 389.364 -1.055 30 20 GAED CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C#N 349532607 OPTPWQOUPDCVJO-UHFFFAOYSA-N 392.463 -1.271 30 20 GAED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@@H](C)C#N 409537469 MKRRVOMGEDKSGC-RYUDHWBXSA-N 380.492 -1.052 30 20 GAED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 427808144 WMNJHCVYUGVHIF-ZDUSSCGKSA-N 392.437 -1.066 30 20 GAED C=CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)[C@H]1CCS(=O)(=O)C1 573750538 NMELBFFKYXIZEB-HNNXBMFYSA-N 386.518 -1.106 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc(=O)o[nH]2)cc1 580725503 SLDJDOYFQBXOPM-UHFFFAOYSA-N 387.399 -1.314 30 20 GAED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1793256686 BCJFVAYJRVXXPZ-YWVIFJGQSA-N 385.357 -1.286 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831425901 WNRPIFCQBLLTPR-DYVFJYSZSA-N 383.449 -1.483 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1834756100 QMJUVUPCZGZNAQ-GOSISDBHSA-N 390.396 -1.328 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1834756436 XABNYQPIKLNSCG-MRXNPFEDSA-N 379.373 -2.092 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839223852 AXLDYTCCMCPUBR-GRDNDAEWSA-N 385.465 -1.470 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1cnnn1 1840475939 PEFSVNXSYVNXCH-BBRMVZONSA-N 377.405 -1.006 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 510037141 ASLYHSYWSPKNPA-GFCCVEGCSA-N 385.446 -1.242 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)N(C)C 596614770 XNFJELWSIZSOHJ-GFCCVEGCSA-N 396.477 -1.036 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 755319037 HHGNZMPKKXCKSE-ZDUSSCGKSA-N 396.473 -2.020 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 940383432 NTRWDDWYQQOOND-LPWJVIDDSA-N 376.417 -1.069 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888632 UURDGWDKWPHPOV-DRXBFXEBSA-N 386.364 -1.302 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1831397234 PSWIQYIPVUZSBW-RKVPGOIHSA-N 381.429 -1.384 30 20 GAED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261803943 RSKFEBQPTBVRNC-KDOFPFPSSA-N 377.493 -1.128 30 20 GAED CNC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C1 349489402 GRVNOXFGZXQCBB-NWDGAFQWSA-N 395.507 -1.117 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)CC1 410751208 VRFDDZHMTZMNRN-CTTHAOKLSA-N 376.457 -1.340 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 468658436 KVJOQMLATOFVNG-GWCFXTLKSA-N 394.409 -1.275 30 20 GAED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 735432675 SYOYUUGJZPXRTN-UHFFFAOYSA-N 379.402 -1.437 30 20 GAED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c(=O)n2C 825375660 NCOFBIUHZBWAKH-QGZVFWFLSA-N 388.384 -1.215 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1 825620130 WVLFTLRZZKMNFO-UHFFFAOYSA-N 386.474 -1.215 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 827346695 KRIKLOMEMJQOGP-UHFFFAOYSA-N 388.490 -1.822 30 20 GAED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOC 838243742 UDAXZZYSZADYMU-UHFFFAOYSA-N 391.453 -1.445 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)CN2CCOCC2)CC1 896633333 SUARWWNOGGMDJY-HNNXBMFYSA-N 387.506 -1.108 30 20 GAED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CC1 1797936623 GYIAZUXZTCWVPN-MUJYYYPQSA-N 390.440 -1.123 30 20 GAED CN1CCN(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834760774 KERNFUAOSNCPRS-GOSISDBHSA-N 379.461 -1.396 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840203792 TVGMPZNPHIIVAU-AWEZNQCLSA-N 377.319 -1.246 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@H](C(N)=O)C2)c1=O 463280127 RKMIZURLYPAFDG-LBPRGKRZSA-N 377.401 -1.732 30 20 GAED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(CC(=O)NCC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108483812 WUUKYGJLXQERKM-COMQUAJESA-N 384.458 -1.639 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800776248 YPDITJBQZUTKML-BZBKMWRSSA-N 377.313 -1.391 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1809827444 WZWNTSYPRVCNQL-CYBMUJFWSA-N 378.429 -1.102 30 20 GAED C/N=C(/NCCN1C(=O)CNC1=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 261975468 NOYWXVLJBCBESG-AWEZNQCLSA-N 393.492 -1.258 30 20 GAED C/N=C(/NCCN1CCOCC1)NCc1ccc(C(=O)NCC(N)=O)cc1 264994104 RLJOUDKXCVDEBO-UHFFFAOYSA-N 376.461 -1.101 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCCS1(=O)=O 1109171111 DRGSEYFYGGAJEO-ILXRZTDVSA-N 382.486 -1.117 30 20 GAED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118153175 UAPGTMMRRXVUOS-KSSFIOAISA-N 379.461 -1.078 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)CC1 1332371469 DMDBUAQQUDYELZ-UONOGXRCSA-N 379.413 -1.643 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829959895 KWJQJXOENAHNCP-ACJLOTCBSA-N 393.396 -1.943 30 20 GAED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CCC1=O 1834756429 WRQUARYKBNWNHE-KRWDZBQOSA-N 377.401 -1.035 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835302039 ONTJIMVTNDKWSQ-SPYBWZPUSA-N 393.440 -1.240 30 20 GAED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041420 LRSYBHZYMWARQB-QGZVFWFLSA-N 392.368 -1.277 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1=O 569875299 LYGVONIKHPZMMZ-HUUCEWRRSA-N 393.488 -1.065 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)CNC2=O)cc1 573529880 FSALTJHQOMWISW-UHFFFAOYSA-N 379.398 -1.105 30 20 GAED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 728570584 FXGWWXPZZPYGME-KRWDZBQOSA-N 399.499 -1.119 30 20 GAED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1261849270 BEXVRLUGAWIUGQ-CYBMUJFWSA-N 387.462 -1.532 30 20 GAED C#CCN1CCN(C(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CC1 1320402177 AWVVGPZXBWASRE-HOTGVXAUSA-N 384.502 -2.461 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779316351 COJCPRSEOWTWHK-GUYCJALGSA-N 381.385 -1.945 30 20 GAED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CCC1=O 1793787600 YBKRRGABQJJBKB-CULMDFNYSA-N 376.369 -1.728 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800774090 OUZMSIZYYAGHCW-KEODLESXSA-N 378.341 -2.784 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1840842605 PVPBQPUCGJBJBS-HKUYNNGSSA-N 395.456 -1.493 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349507809 VTZHEZXTRHQARU-NSHDSACASA-N 376.464 -1.013 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n(C)c1=O 822685213 VEUGBOGEIPRILQ-UHFFFAOYSA-N 380.346 -1.831 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 826551154 YTVGJTOABBJIGF-AWEZNQCLSA-N 385.490 -1.814 30 20 GAED C#CCCN(CCOC)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 853982939 RBLZPVROHVFAND-LSCFUAHRSA-N 377.401 -1.086 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 892818128 IUDDSYORQXDUBD-HUUCEWRRSA-N 385.490 -1.356 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2O)O1 970620415 RDJUGGUOYUCUAC-BARDWOONSA-N 389.412 -1.176 30 20 GAED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(=O)Cn1cnnn1 1109945812 NSLBFOCMIQTSFU-XGUBFFRZSA-N 375.433 -1.451 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H]1CCCO1 1320691052 MUANXKHUZPUVMR-KGLIPLIRSA-N 389.412 -1.023 30 20 GAED C#CCOCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588359140 HXBDALXFLYBABV-UHFFFAOYSA-N 387.400 -1.072 30 20 GAED C#CCOCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1588362198 YANWVXPUONINJY-FZMZJTMJSA-N 387.400 -1.074 30 20 GAED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1766945616 QJCMYHQDCNQBRS-VXGBXAGGSA-N 397.461 -1.151 30 20 GAED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1784380386 FHYGWNWTIASEGM-XQLPTFJDSA-N 388.424 -1.022 30 20 GAED COCCCS(=O)(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 287801205 IOXPNTGTRVHLIQ-UHFFFAOYSA-N 385.450 -1.157 30 20 GAED Cn1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 329240538 MTVPPMYCPKDQRU-UHFFFAOYSA-N 390.425 -1.013 30 20 GAED Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)cn1 1352334457 HXKKSGMXPOYZBZ-DZGCQCFKSA-N 385.428 -1.160 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2nc(O)c(-c3nn[nH]n3)cc2C)CC1 1588354700 WNTDIGUGCZYFFH-UHFFFAOYSA-N 384.400 -1.217 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780602889 AXCGIUMIZCXFCB-UYAYXHRUSA-N 379.413 -1.689 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1786705798 FRVGMQNOGCZAHU-JYJNAYRXSA-N 382.461 -1.444 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n([C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1=O 267360692 CHZMMIUHKIVPDV-CYBMUJFWSA-N 391.428 -1.205 30 20 GAED COc1cncc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 348343146 JXDTWVCFXZIUKT-UHFFFAOYSA-N 375.432 -0.598 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)N2CCCC2)C1=O 726042024 ABGKPZMAXMWJQX-UHFFFAOYSA-N 380.357 -1.755 30 20 GAED C#CCN1CCN(C(=O)CN(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 748809787 KJYSBBNSNUQXAN-HNNXBMFYSA-N 384.502 -1.611 30 20 GAED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1324820836 ABQFKHITALFBGM-ZIAGYGMSSA-N 389.474 -1.138 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793346985 TWHPEFANKQVHLD-FLTUCWPJSA-N 389.408 -1.461 30 20 GAED CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802038017 NYSJUXFJEXAYNG-UMPJEAMMSA-N 379.413 -1.031 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834589082 FCLCQVNJVDMCHH-SFHVURJKSA-N 389.364 -1.055 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H](N)C(N)=O)CCO2 1835752786 SKMROSHMBXPUEQ-RDTXWAMCSA-N 380.445 -1.551 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041436 MDZNTGUVFWTXPA-YVEFUNNKSA-N 396.400 -2.876 30 20 GAED C/N=C(/NCCS(C)(=O)=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261834211 VWNUBLSETHPUHN-UHFFFAOYSA-N 393.491 -1.258 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)N(C3CC3)C2)CC1 349455584 HWSFEIVNYQLLSH-UHFFFAOYSA-N 376.460 -1.054 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 728532151 ZVSBMMJOMYTDQI-UHFFFAOYSA-N 393.469 -1.404 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1=O 842644251 UGTFUJXWYNXEDT-OLZOCXBDSA-N 377.401 -1.069 30 20 GAED C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2C[C@H]2C(N)=O)CC1 960966577 XXCWKORHZBJDQH-LTIDMASMSA-N 388.468 -1.109 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1261177882 DKFFKQIMQSDIGB-NEPJUHHUSA-N 375.447 -1.545 30 20 GAED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1299296400 NNZQXKWDKXBTCM-LBPRGKRZSA-N 397.461 -1.208 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634802 SLQRENJJSYPYBX-OBJOEFQTSA-N 389.364 -1.233 30 20 GAED C#CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 139838897 PVLGGYRASUDQSJ-YZIZBFEWSA-N 380.346 -4.740 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 728531186 BMVAXAOLSCJADQ-UHFFFAOYSA-N 382.417 -1.020 30 20 GAED CN(CCO)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771892901 VZMFEBXSFPTGKB-UHFFFAOYSA-N 395.441 -1.175 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@]12COC[C@@H]1C2 1217955187 WPPASBQSWLOPQX-FLTUCWPJSA-N 378.429 -1.054 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)n2C)CC1 1588354269 UIJYRZSMBABPNH-UHFFFAOYSA-N 378.418 -1.569 30 20 GAED CS(=O)(=O)NC1CC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 801461741 FBYMSPUVUMFEMT-UHFFFAOYSA-N 386.455 -1.079 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1 831556961 XWUCCUROZGEIOJ-UHFFFAOYSA-N 391.453 -1.048 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1109828322 WBUXAALUKXJMNF-ZDGNQMRXSA-N 375.429 -1.002 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 1323699950 LONFMABKALCHDK-UHFFFAOYSA-N 399.473 -1.396 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)CC1 1342069779 LPDZGKALJXLRKY-UHFFFAOYSA-N 386.474 -1.582 30 20 GAED C#CCN1CCC(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1342876415 LGNQUSGOMVTMLM-ZDUSSCGKSA-N 385.442 -1.112 30 20 GAED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588353504 VMDQAIVFTGDXEJ-SNVBAGLBSA-N 392.397 -1.174 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783561917 PSGAXLMQGBCILY-OAHLLOKOSA-N 377.313 -1.151 30 20 GAED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1783908342 ACRWFXZIVHYWKX-LJQANCHMSA-N 381.473 -1.094 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567193 CIDPFOSFYKYGQI-SUMWQHHRSA-N 383.449 -1.483 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1838325669 ZMVKVLKNFLPXKK-QGZVFWFLSA-N 388.384 -1.441 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840044975 KJEOLLIFMSHPKH-KDOFPFPSSA-N 380.397 -1.043 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840178334 CWNACNFRUZEKFJ-SJORKVTESA-N 383.401 -1.028 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCNS(=O)(=O)N(C)C)c1cc[nH]n1 297091342 MSQPSGGQAAREGS-LDADJPATSA-N 390.422 -1.794 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NS(=O)(=O)CC)CC2)C1=O 520513675 LZEFOVRARMDUBQ-UHFFFAOYSA-N 386.430 -1.107 30 20 GAED N#Cc1ncn(CCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 553165903 DGFMQKDXNAUQEX-CQSZACIVSA-N 375.433 -1.021 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)CC2)c1C#N 567651609 QEXJAJOTBMQORJ-CQSZACIVSA-N 388.476 -1.650 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 942566634 OXUDZYRQLMWEIZ-NHIYQJMISA-N 393.444 -1.095 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1118216912 MBWAIUCSVPLWIX-AWEZNQCLSA-N 390.487 -1.642 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791077755 HTHBMLWTFIKVCS-AVGNSLFASA-N 389.364 -2.021 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871313 DTOWOCCEMNWBRE-SJCJKPOMSA-N 379.369 -2.333 30 20 GAED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n(C)[nH]1 349505884 UANVFQCEZKNQFG-GFCCVEGCSA-N 394.454 -1.055 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 349517293 ZXJDJQRPFOUFDY-CHWSQXEVSA-N 395.503 -1.301 30 20 GAED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@@H]1C 349526938 UPWYSZHNWTWHBH-RYUDHWBXSA-N 380.492 -1.006 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cncn1C 1131010315 JBHHAYSVKOPRMF-BORJPKMPSA-N 389.456 -1.143 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCCO1 1323529061 VUVQLXHPMBVTFZ-LSDHHAIUSA-N 378.429 -1.520 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319006 LZLNGBQTRNAHOS-KSSFIOAISA-N 397.428 -1.163 30 20 GAED C#CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039641 WBLQMTWDUGHBST-NSHDSACASA-N 379.394 -1.021 30 20 GAED O=C(N[C@H]1CCN(O)C1=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1O 820175478 YQNFGAMBPKEUKR-PHIMTYICSA-N 378.341 -1.168 30 20 GAED N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 834517024 PBURBUFYXNDWAB-OCCSQVGLSA-N 377.426 -1.352 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1O 1025711494 WJCYTVFKVWXSDS-SYQHCUMBSA-N 379.413 -1.196 30 20 GAED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1117970029 NEVXMWWWHYNNQF-OAHLLOKOSA-N 390.437 -1.039 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 1325697650 QCMPMDLAFRGIHF-UHFFFAOYSA-N 388.490 -1.628 30 20 GAED CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(=O)C(=O)O 1782745287 LOKUJWFSXKMAFF-KRWDZBQOSA-N 380.401 -1.091 30 20 GAED CN(CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)C(=O)O 1782754850 XVBJLUJZOSKIIQ-MRXNPFEDSA-N 381.341 -2.553 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCS(=O)(=O)CC1 349503839 LQDCCGQVGJKLCO-UHFFFAOYSA-N 387.505 -1.388 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O 377201923 QVGAQNSBFSDPTJ-LBPRGKRZSA-N 398.441 -1.010 30 20 GAED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 410489364 LBZODHGAGXTHMR-CABCVRRESA-N 379.461 -1.004 30 20 GAED N#CCN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 739086737 IHRWXEZYZNMQOZ-UHFFFAOYSA-N 380.382 -1.143 30 20 GAED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1C1CC1 746247143 JYRDMJQBUADHFD-LLVKDONJSA-N 380.430 -1.409 30 20 GAED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N 1795538993 YOCFXLVWDHEUEZ-JJLQDPRZSA-N 381.433 -1.432 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832697406 OGIAABAIAIQFLT-SJCJKPOMSA-N 380.401 -1.383 30 20 GAED CS(=O)(=O)C1(C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 330023226 IHMRPRSGVDZQSP-UHFFFAOYSA-N 388.490 -1.046 30 20 GAED Cc1nn(C)c2ncc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc12 771891313 LOWFMRODZCDGSH-UHFFFAOYSA-N 391.413 -1.013 30 20 GAED COCC#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1111263368 NSLBFOCMIQTSFU-TUVASFSCSA-N 375.433 -1.451 30 20 GAED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588353372 PODCCFZOLLIMFK-YPMHNXCESA-N 386.416 -1.237 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786748645 LIUSAMFIARYEJS-JYJNAYRXSA-N 393.440 -1.224 30 20 GAED NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794270665 HKMSUGOKVGOVTH-QHBPRCKVSA-N 386.364 -1.528 30 20 GAED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800582197 QZQKTFBFWJUWJK-XPCVCDNBSA-N 375.491 -1.819 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877388 AOFKAKHFDUAISW-KBXCAEBGSA-N 391.428 -1.077 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837526660 VDNJVLDOKSNBJK-MJGOQNOKSA-N 395.456 -1.493 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319005 LZLNGBQTRNAHOS-KDOFPFPSSA-N 397.428 -1.163 30 20 GAED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1329446343 BAOZKLSADFUWIB-FZKQIMNGSA-N 377.445 -1.325 30 20 GAED C[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H](C)N1CCOCC1 1341865179 JTVNJIHKQSYACL-SAFUZZNQSA-N 393.444 -1.146 30 20 GAED C#CCO[C@H](C)C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573287657 PJFFOYUHPZLAKU-LLVKDONJSA-N 387.400 -1.074 30 20 GAED N#Cc1ccc(C(=O)N2CCOC3(CN(CC(=O)NCc4cnn[nH]4)C3)C2)[nH]1 1577712646 TYWSJRLODWHRCV-UHFFFAOYSA-N 384.400 -1.152 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1609021616 MSPWZOWCQVJPQE-UHFFFAOYSA-N 384.400 -1.324 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1835354754 ZRLLTJJRUSEGSB-KRWDZBQOSA-N 378.433 -1.413 30 20 GAED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410153812 KBSWAMXTEYQBTJ-ZDUSSCGKSA-N 376.435 -1.737 30 20 GAED C[C@H](CN1CCOCC1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 550648265 ZYYFAKKJEUZVCZ-GFCCVEGCSA-N 377.449 -0.909 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 728536280 RUFOGFCWBNSZKN-UHFFFAOYSA-N 375.429 -1.255 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1OC 946818749 LTFARYUGNPCZTF-FVCCEPFGSA-N 380.401 -1.529 30 20 GAED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CCN2C1=O 1335586013 XVWAAYYWTRGBAS-KBPBESRZSA-N 388.428 -1.320 30 20 GAED C#CCN1CCC(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)CC1 1588352021 RFLNPXAMHQEKCZ-UHFFFAOYSA-N 384.400 -1.143 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 1588354460 YXIVBXJSUKIRKP-UHFFFAOYSA-N 391.413 -1.202 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793938802 HBMAKDKHKYNFTL-NOHGZBONSA-N 377.401 -1.276 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807713235 XYOAULRJQBLUKX-LDDOYCOJSA-N 386.408 -1.102 30 20 GAED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCCN1 1840043735 QZAZBXXKILOTNN-QZTJIDSGSA-N 379.413 -1.327 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840044111 LFZNXHJPZHBAJO-QGZVFWFLSA-N 391.384 -1.787 30 20 GAED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1F 290817886 OKPMURDHDRHZCY-UHFFFAOYSA-N 386.347 -1.007 30 20 GAED C[C@H](O)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 291521432 VBPQKSQWHMYKRB-LBPRGKRZSA-N 380.426 -1.112 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)N2CCOCC2)C1=O 748568684 ACLDCFOUNRPERN-UHFFFAOYSA-N 388.402 -2.259 30 20 GAED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1cc[nH]n1 846403578 GNSVYVDVPUTQTE-SNVBAGLBSA-N 387.418 -1.156 30 20 GAED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017891 QKWJFDMMNPBFNY-SJKOYZFVSA-N 381.385 -1.056 30 20 GAED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)n1cnnn1 1791079681 ZPOURIGGSAFEHN-CYDGBPFRSA-N 376.373 -1.698 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795351855 ADELIGKOHFIQCI-ZSBIGDGJSA-N 385.380 -1.034 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800780998 CCCKRXFKTBSNHG-YNHQPCIGSA-N 382.369 -1.720 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832800511 SLWFXCRYCGUDLS-MRXNPFEDSA-N 377.357 -1.119 30 20 GAED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833845397 NNFRHXGTALJYEH-MRXNPFEDSA-N 377.357 -2.027 30 20 GAED CCn1cc(C#N)c(=O)n(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c1=O 295257681 NIVXDWUWZBUXTD-CYBMUJFWSA-N 398.441 -1.436 30 20 GAED N#CCCN1CCN(C(=O)C(=O)NC[C@H](N2CCNCC2)C(F)(F)F)CC1 884723212 BYPIZEGEDFNMJZ-ZDUSSCGKSA-N 390.410 -1.003 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1110740786 DPGUPCCIJYDKEZ-FPCVCCKLSA-N 375.473 -1.380 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc2ccccn2c1=O 1110880345 KNHJDVZRIMKQAH-KFWWJZLASA-N 382.424 -1.033 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cn(C)cn1 1130610326 IUFGVQHTCIIKAH-KMCQBPLKSA-N 389.456 -1.143 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 1349213697 BLMWQLMREOCGOH-YJBOKZPZSA-N 379.461 -1.614 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573286103 UCSWBBZNDUCYCU-KLPPZKSPSA-N 384.400 -1.041 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787940095 LPBNQQJYMYGXCK-AVGNSLFASA-N 398.379 -1.194 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)N1CCN(C)CC1 1834765314 DCTBNWHSKAGXHM-VQIMIIECSA-N 393.488 -1.008 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768712 LLUONZLATRNHSU-DLBZAZTESA-N 383.401 -1.028 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358027 NTAVLPADOHHPIB-FZKQIMNGSA-N 394.428 -1.090 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1840044976 KJEOLLIFMSHPKH-KSSFIOAISA-N 380.397 -1.043 30 20 GAED COC(=O)CNC(=O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 848011139 GMIKFYOXQQFTTO-JTQLQIEISA-N 396.425 -1.091 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787432616 VQJBGKIITUQGKZ-DLOVCJGASA-N 390.352 -1.431 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831402766 QYNFZSIRVJECJI-CXAGYDPISA-N 382.417 -1.851 30 20 GAED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1834248985 BYGLEHCVZOBJHO-QGZVFWFLSA-N 376.369 -1.422 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)N(CCO)CCN2CCOCC2)c1 589464575 IKDKJZZOQIDZOE-UHFFFAOYSA-N 396.469 -1.010 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCNC1=O 595962406 QWFGJSATQRDGCF-GXFFZTMASA-N 378.476 -1.204 30 20 GAED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCO1 1065396874 OUBDUWWJMFHECU-YQBONMRBSA-N 375.425 -1.107 30 20 GAED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1335584887 MSXUCLUCLLMOSR-AWEZNQCLSA-N 376.461 -1.407 30 20 GAED C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588359998 FKBQFJWVYVVBDB-GFCCVEGCSA-N 375.389 -1.216 30 20 GAED C=CCN(C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)[C@H]1CCS(=O)(=O)C1 1602847640 YKCZJDKHVUJWKK-VIFPVBQESA-N 395.401 -1.669 30 20 GAED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783896393 ZAHQMLLZPFCMIP-XJKSGUPXSA-N 375.491 -1.579 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777162 ISIVNIJNJMXCHZ-OHTBPHCPSA-N 380.401 -1.628 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233709 NYYDTYNFSHBAMS-ACJLOTCBSA-N 393.396 -1.943 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1=O 289229581 WJPOXORYNQVAJP-CHWSQXEVSA-N 386.474 -1.228 30 20 GAED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)N3CCO[C@H](C#N)C3)cn2)CC1 410160895 VKGKJCMCQLQLPZ-CQSZACIVSA-N 397.461 -1.462 30 20 GAED CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 571682267 QDHGVSRXBPWAPN-UHFFFAOYSA-N 375.433 -1.157 30 20 GAED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)n1 595982089 REXJQYATXVNWFL-CABCVRRESA-N 397.439 -1.628 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 598024995 CFXLPHGBMKHVNZ-STQMWFEESA-N 387.439 -1.235 30 20 GAED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)NCC#N 731811319 OSTDYLOHBSDYFA-UHFFFAOYSA-N 376.354 -1.007 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 1129898437 VWUSATWLVQFFMH-FQLMCAECSA-N 376.417 -1.827 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1327776220 JZDJQJZCTICSKN-AWEZNQCLSA-N 375.426 -1.856 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1593339366 NDVIHRGAZDPVOV-GWCFXTLKSA-N 394.409 -1.021 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788657394 YZOMOSVUGULMKZ-WZTLGTBRSA-N 395.412 -2.295 30 20 GAED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640563 YVTFZJWABVQUIU-MLGOLLRUSA-N 385.490 -1.399 30 20 GAED Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042322 NMGACKAGYZBDKU-SFHVURJKSA-N 388.380 -1.057 30 20 GAED CC/N=C(/NCCNS(C)(=O)=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261720607 IIHYQHDMMXYBKP-HNNXBMFYSA-N 388.494 -1.189 30 20 GAED CN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349464351 WMNBBYCXBSNBTR-UHFFFAOYSA-N 391.475 -1.134 30 20 GAED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349538708 ONHGATWRRAGVDI-LLVKDONJSA-N 396.516 -1.591 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 728534176 XLMVCWCEOSPYHP-UHFFFAOYSA-N 384.483 -1.168 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCC(C(=O)OC)CC2)CC1 728590191 VYWQUGDVLPOGKL-UHFFFAOYSA-N 386.474 -1.517 30 20 GAED CS(=O)(=O)N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 844826626 YOCNLBOCXSFWCT-JTQLQIEISA-N 386.455 -1.125 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396979 OFPBLVZMIXKMBJ-AVGNSLFASA-N 389.364 -2.021 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)CC1 1835741233 KQVOYGOWAJGRGX-SCLBCKFNSA-N 393.444 -1.661 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920799 MJCHBHXMFZJELQ-SCLBCKFNSA-N 398.460 -1.316 30 20 GAED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844287755 OFNUUOLCIRSSSH-ZDUSSCGKSA-N 380.353 -1.227 30 20 GAED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2=O)cc1 599943214 JRKJQJTZVKWIEY-JKSUJKDBSA-N 385.424 -1.120 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1OC 946818631 LFZXBHCASBHBQB-WISYIIOYSA-N 381.389 -1.378 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 963325768 BXWVIUOBGDYUPB-XEZLXBQYSA-N 378.385 -1.622 30 20 GAED C=CCNC(=O)NC(=O)CNCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658387 HZAYMFJGOREKLO-UHFFFAOYSA-N 375.393 -1.132 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075905 BHFWYAKHEMJIOB-CYDGBPFRSA-N 380.401 -2.353 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 1793940589 DFAPAOOEZJYRFJ-NOHGZBONSA-N 375.385 -1.522 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1800779658 RSLWWZLTFQHHSC-DRXBFXEBSA-N 388.380 -1.043 30 20 GAED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1 1806853329 RRGPNBTXCOMEDB-GFCCVEGCSA-N 390.396 -1.096 30 20 GAED O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN1 1831221632 VCYRKLOHRJUXTJ-DNVCBOLYSA-N 375.425 -1.008 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCN2CCN(c3ncccn3)CC2)CCO1 409570066 KXFINJKBKJUPAA-CQSZACIVSA-N 381.462 -1.343 30 20 GAED CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](CN)C1 580413290 CKKNKNWQUKTFFR-IRXDYDNUSA-N 398.467 -1.123 30 20 GAED COCCCN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CCS(=O)(=O)C1 1349331645 SNJUDLHZKLUZRI-CJNGLKHVSA-N 387.458 -1.084 30 20 GAED C#C[C@H](NC(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1)[C@H]1CCCO1 1588330268 YKVNGSUIEGAKKG-NWDGAFQWSA-N 386.372 -1.124 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)CC1 1795410952 AOCGLAFVZPNKSV-XGUBFFRZSA-N 378.429 -1.470 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768713 LLUONZLATRNHSU-IAGOWNOFSA-N 383.401 -1.028 30 20 GAED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564401 MEDSIQJISLTXMA-BFQNTYOBSA-N 388.490 -1.646 30 20 GAED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC(=O)NCC#N)cc1 588077370 VMOLBBHTOCBCLA-FZMZJTMJSA-N 396.425 -1.425 30 20 GAED C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588330413 BPURSSHGTCJCCV-AWEZNQCLSA-N 396.411 -1.229 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)CCC1 1793763429 MVCBHCJPFGGROJ-JJLQDPRZSA-N 389.412 -1.178 30 20 GAED CN1CCN(C)[C@@H](C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 329427289 HHGHXYQZSBWQTE-INIZCTEOSA-N 382.509 -1.377 30 20 GAED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 572178906 DPYSDKYLNXEEJX-UHFFFAOYSA-N 391.427 -1.356 30 20 GAED Cc1[nH]c(=NCCn2cnc(C#N)n2)[nH]c(=NCCn2cnc(C#N)n2)c1F 596229163 DMWQMOUKRMXNCP-UHFFFAOYSA-N 382.367 -1.082 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NS(C)(=O)=O)CC2)o1 758491747 JZIOKSLCVOWFIS-SNVBAGLBSA-N 399.429 -1.016 30 20 GAED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@@H]1O 1220361980 ORWPKJFEDIXIQO-TWMKSMIVSA-N 384.436 -1.563 30 20 GAED O=C(O)COCCOCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1595112875 MYWIRRYJPUNFCF-UHFFFAOYSA-N 385.398 -1.041 30 20 GAED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1783565740 PRDRGAMHZRYKIZ-QGZVFWFLSA-N 376.369 -1.040 30 20 GAED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835248561 QYIKEWKUYXYGOI-KRWDZBQOSA-N 384.385 -1.806 30 20 GAED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041799 ITCHCPKEYYMGET-GOSISDBHSA-N 390.396 -1.264 30 20 GAED CC(C)NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041819 JODXXOPVOBVDIE-GOSISDBHSA-N 381.429 -1.081 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 349475089 LBWYIIPAYBDQKY-GXTWGEPZSA-N 394.519 -1.369 30 20 GAED CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 600032267 MDIVDELTEQVRSF-UHFFFAOYSA-N 389.397 -1.163 30 20 GAED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600766114 GMBGEMWEOMCAHW-SRVKXCTJSA-N 399.516 -1.986 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CCCO1 773800594 YBIGVORZPQWNFL-QWHCGFSZSA-N 385.380 -1.132 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1057723623 JCRCNFCSTLZXFH-XQLPTFJDSA-N 383.445 -1.062 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)CC1 1348264323 OIMAVYLEWFXWJQ-GJZGRUSLSA-N 386.522 -1.585 30 20 GAED C#CCNC(=O)CN1CC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)CCO2 1573285770 NETPLAJVHZBTBD-UHFFFAOYSA-N 384.400 -1.529 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112208 LDJPWZJFPCYHMK-AUUYWEPGSA-N 389.408 -1.220 30 20 GAED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793837106 BBALKLNQFMPXFW-JLVBRIDZSA-N 397.497 -1.280 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834589081 FCLCQVNJVDMCHH-GOSISDBHSA-N 389.364 -1.055 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1838503332 OZKFNAFXDMGPDB-IBGZPJMESA-N 397.391 -1.207 30 20 GAED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839648609 UYSPQLFOOOBWKK-FHLIRTJZSA-N 393.396 -1.429 30 20 GAED N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201041688 FYBZXLITBWYTSX-QBYUYEEZSA-N 380.445 -1.115 30 20 GAED N#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1COC[C@@H]12 1205510784 HCEFDNDRLJEBQJ-CBBWQLFWSA-N 389.456 -1.313 30 20 GAED C#C[C@@H](NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@@H]1CCCO1 1322861634 KDNUDGSZHYWQIH-CABCVRRESA-N 385.486 -1.091 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)CCO1 1561648815 UEOWOWILIJTMPI-CYBMUJFWSA-N 378.476 -1.045 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800526927 DMTCYTABVSWTIA-RKBILBCFSA-N 392.456 -1.041 30 20 GAED CCS(=O)(=O)NCCN/C(=N/C)N1CCN(C(=O)[C@H]2CCCO2)CC1 262519912 DOHBAOAJSGIYCO-CYBMUJFWSA-N 375.495 -1.176 30 20 GAED CN1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)CC1=O 594636194 AZQLGAHROKYQNE-UHFFFAOYSA-N 393.472 -0.792 30 20 GAED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)CC1 728572659 AYGQXYUOQMAEJP-CYBMUJFWSA-N 377.445 -1.128 30 20 GAED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788778113 MUTYVXBMGIVKTP-AJNGGQMLSA-N 395.412 -1.795 30 20 GAED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1814809790 FBNVKMJDAVVIPD-IUCAKERBSA-N 393.425 -1.264 30 20 GAED N=C(N)SCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041373 JTDFHBPJTSUSSV-HNNXBMFYSA-N 384.414 -1.843 30 20 GAED Cn1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(=O)n(C)c1=O 24442643 PETYDMYOUINPPO-UHFFFAOYSA-N 390.425 -1.138 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)o1 287061698 XAXAJCLYMWQGRT-NWDGAFQWSA-N 375.428 -1.073 30 20 GAED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)CCCc1[nH]nc(N)c1C#N 583039568 LFDZDIGQFLGFBG-SECBINFHSA-N 388.432 -1.021 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 600761738 RWKYJLNTOOAFHV-XDTLVQLUSA-N 375.428 -1.397 30 20 GAED N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1054788063 NETGCRTYUNHGCS-ZOBORPQBSA-N 389.437 -1.111 30 20 GAED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1117970028 NEVXMWWWHYNNQF-HNNXBMFYSA-N 390.437 -1.039 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1194054360 KLBGYLPUSCLAAT-AAVRWANBSA-N 383.449 -2.121 30 20 GAED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1324711262 RODMMGKNDAGGBH-AWEZNQCLSA-N 380.445 -1.013 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1349332340 XSMDNPPKEMLIRB-SFHVURJKSA-N 393.444 -2.134 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)n2)CC1 1602863775 PKYCUUQAOLMMSX-UHFFFAOYSA-N 399.415 -1.353 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679275 IYFWMGNOUHKGAE-KRWDZBQOSA-N 390.352 -1.521 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795635768 KMNRWUGERLANLV-XYFZXANASA-N 397.476 -1.030 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835356552 CXIAMXOSVHRQEN-WMLDXEAASA-N 398.416 -1.189 30 20 GAED O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1839866599 GJCZOWXZRHZIMJ-DNVCBOLYSA-N 375.425 -1.008 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C1=O 288371686 FBAMIXHUQXDSEV-KGLIPLIRSA-N 388.428 -1.113 30 20 GAED C=CCOC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)OC 481764525 HHYJIQJTWVOOAN-SNVBAGLBSA-N 379.373 -1.706 30 20 GAED N#C[C@]12CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)C[C@H]1CS(=O)(=O)C2 1592681225 MLYHJICXKIEOLX-TVQRCGJNSA-N 395.426 -1.179 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782961665 QNXAEYQTODVFNN-MLGOLLRUSA-N 384.410 -1.519 30 20 GAED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833465359 ATICQVRTPDWFRH-YOEHRIQHSA-N 379.505 -1.118 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835734869 LLPNAAQIKZGSLZ-ACJLOTCBSA-N 395.460 -1.415 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835736271 PPQZLUBXINARMS-HNAYVOBHSA-N 392.456 -1.551 30 20 GAED NC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773980 GIJUJHPRUCCVRX-UHFFFAOYSA-N 380.401 -1.259 30 20 GAED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)C2)c1C#N 349536818 LZZIGZWGDCNAGN-UHFFFAOYSA-N 390.447 -1.517 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2O)O1 970620459 SFLDHRMESKZANZ-BARDWOONSA-N 389.412 -1.176 30 20 GAED C[C@H](C(=O)N(C)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1cccn1 1515158208 JFTXTQXBTVRGLH-OLZOCXBDSA-N 395.441 -1.132 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1791077266 SZKNPUIUVBHNGU-NHCYSSNCSA-N 391.340 -1.001 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795534232 MZTQOWCRJGCCHB-HAFSJTIUSA-N 397.476 -1.030 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797800664 HONMTCQPZJQEJM-KSPMYQCISA-N 397.472 -1.182 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831394054 TYTAIYROJIRQCH-DYVFJYSZSA-N 377.401 -1.087 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1834760804 KXGRDDOEAAAWFS-DOTOQJQBSA-N 382.417 -1.993 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cnc3ccc(C#N)cn23)c(=O)n(C)c1=O 771892352 ZMPLVQFZWRWZTE-UHFFFAOYSA-N 387.381 -1.084 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)O1 1119140828 JUGAFRWCUXPERQ-KKUMJFAQSA-N 377.445 -1.063 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCOC[C@H]2OCCOC)CC1 1261122140 BGRGZIRQFRWFMF-HZPDHXFCSA-N 395.456 -1.089 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1329100268 SIKGSECNPCIHMT-UHFFFAOYSA-N 384.414 -1.585 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588358319 VUMNRDVNILOLSR-ZYHUDNBSSA-N 375.389 -1.218 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800775853 KOFZTHSDXXQGSB-WDAIWFPHSA-N 389.301 -2.611 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838643039 YPWVNDQUGQNDRC-KRWDZBQOSA-N 390.352 -2.072 30 20 GAED CC(C)CN1CCO[C@H](C/N=C(/O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)C1 330152462 MAXSLYVDGKFXJJ-LSDHHAIUSA-N 381.477 -1.058 30 20 GAED COC(=O)c1ccc(O)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771897246 KLQCABFSRYGABY-UHFFFAOYSA-N 396.381 -1.111 30 20 GAED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 839252900 TVCFJBQQDZBHJC-KBPBESRZSA-N 386.474 -1.424 30 20 GAED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1321663389 VHUJCWQJKCEROZ-CQSZACIVSA-N 377.401 -1.429 30 20 GAED C#CCOCCC(=O)NC1(CO)CCN(CC(=O)NCc2cnn[nH]2)CC1 1575012593 CYLGDCKUSWSKRA-UHFFFAOYSA-N 378.433 -1.596 30 20 GAED C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575180026 YXWDUYHRGVQOAZ-KCPJHIHWSA-N 375.433 -1.136 30 20 GAED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(CC(N)=O)C(=O)C1 1581855540 FEJULZMADIARRA-CYBMUJFWSA-N 382.384 -1.295 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(N)=O)C3)C2)c1 1838742946 SKRXEITZEPYEKI-KRWDZBQOSA-N 390.400 -1.375 30 20 GAED CO[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1O 349471241 ULCZWEMPHPUCQZ-VXGBXAGGSA-N 383.492 -1.038 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCNc1ncccc1C#N 826977762 NVNOGFJVMWXYAI-RYUDHWBXSA-N 381.414 -1.590 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1O 1023942541 BOGXIAGWBYTEMR-ZBYUQBLASA-N 379.413 -1.196 30 20 GAED C[C@H]1COCCN1CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342097940 MGUKSZLEGVFNPQ-TZFAWSOVSA-N 379.417 -1.534 30 20 GAED C[C@H](C#N)C(=O)N1CC(N2C[C@@H](NC(=O)CCOCc3cnn[nH]3)CC2=O)C1 1575179966 XXINEEDKZLPXPB-NEPJUHHUSA-N 389.416 -1.201 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@@H]1O 1757212476 JFYSCHYYYXJGIW-MQYQWHSLSA-N 382.417 -2.482 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835568002 UGUDHVDLQCAKMZ-DYVFJYSZSA-N 381.433 -2.036 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 829929570 RJOSHWDZXZDAQF-NWDGAFQWSA-N 381.414 -1.590 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1196314776 YMXGCKPEHJUPOV-GBJTYRQASA-N 390.444 -1.303 30 20 GAED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1349156375 UOHAYDIPMROPFN-CYBMUJFWSA-N 377.401 -1.429 30 20 GAED C#CCOCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 755566472 LSYRECPOAFLUKP-ZDUSSCGKSA-N 378.472 -1.313 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)nnn3C)c(=O)n(C)c1=O 771891910 VRDGWQAQYCJCBU-UHFFFAOYSA-N 377.386 -1.322 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1109596030 CVRNBZSERFRXQU-XQHKEYJVSA-N 378.433 -1.257 30 20 GAED C#CCOCCC(=O)N1CCC(NC(=O)CC(=O)NCc2cnn[nH]2)CC1 1575012477 BAPLSOMDSBLNIO-UHFFFAOYSA-N 376.417 -1.042 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831394070 VOQZFODMHHILQM-MAUKXSAKSA-N 391.428 -1.227 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875916 OUWAOOULLZFORK-UHFFFAOYSA-N 389.416 -1.667 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108221 FWMMVULMULRBLT-LJQANCHMSA-N 390.484 -1.144 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cnnn1 1840480839 ZFIXPQWRFYZNOC-MLGOLLRUSA-N 392.372 -2.222 30 20 GAED C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349501542 UKZSIJBPGSVEEK-WDEREUQCSA-N 387.505 -1.343 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCO1 409485783 OWRGXGWLXGUSEY-PDWCTOEPSA-N 380.426 -1.148 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 601418141 JTSLJSJBXOEZQK-HNNXBMFYSA-N 377.445 -1.106 30 20 GAED O=C(NCC#CCNC(=O)[C@H]1CN2CCCN1CC2)[C@H]1CN2CCCN1CC2 681340822 PMXPWITUPMVDRI-QZTJIDSGSA-N 388.516 -1.998 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1109171154 GISDKHWYPOZKRV-RDBSUJKOSA-N 375.429 -2.194 30 20 GAED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(CC(=O)NCc3cnn[nH]3)C2)cn1 1575021719 IYRAJMOCJJWHMX-SFHVURJKSA-N 383.412 -1.336 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791302110 YDTROQLNIVTMHB-SRVKXCTJSA-N 384.410 -1.128 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349477996 GGOYJAHFKHMWNZ-LLVKDONJSA-N 399.454 -1.113 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(NS(C)(=O)=O)C1 600325843 MOBRNWHIRMFYAV-SNVBAGLBSA-N 386.455 -1.015 30 20 GAED CC(=NNC(=S)NCC(N)=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 731930150 SMPAWDPSLDFRBT-UHFFFAOYSA-N 398.514 -1.046 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 751984350 AYFHVARXUPINTP-CQSZACIVSA-N 381.458 -1.100 30 20 GAED C#CCN=c1nc(N2CC(=O)N(C)C[C@@H]2C)[nH]c(N2CC(=O)N(C)C[C@H]2C)n1 804637954 OOHKFJBJOAFWFR-BETUJISGSA-N 386.460 -1.328 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCNc1ncccc1C#N 826977761 NVNOGFJVMWXYAI-NWDGAFQWSA-N 381.414 -1.590 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 831585717 YWGHZEFNHPKWAO-QWRGUYRKSA-N 396.391 -1.087 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCCO)CC2)C1=O 1116310111 HIOHLTQWNNRTKN-UHFFFAOYSA-N 380.401 -1.300 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)nn1 1349045176 INNHZSSBMXVWAX-GFCCVEGCSA-N 388.388 -1.068 30 20 GAED CCn1cc(C#N)c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c1=O 1472972071 WDOJPNPYZNCXPD-UHFFFAOYSA-N 383.430 -1.558 30 20 GAED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CNCC(=O)NCc2cnn[nH]2)C1 1575013042 JWGLCRSTDAXUEQ-HIFRSBDPSA-N 378.433 -1.334 30 20 GAED C[C@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)CCOCc3cnn[nH]3)CC2=O)C1 1575179969 XXINEEDKZLPXPB-VXGBXAGGSA-N 389.416 -1.201 30 20 GAED N#CCSCC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 1592679701 ZTEBZWKSADVZGP-AWEZNQCLSA-N 375.418 -1.029 30 20 GAED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1783558307 WSAICTDLWYSQRM-KRWDZBQOSA-N 376.369 -1.040 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832693425 JSLCWWLFQIAQBD-BDJLRTHQSA-N 379.373 -2.045 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835535038 CUHNDIWYCOPLED-AWEZNQCLSA-N 390.333 -1.919 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846458982 KAYPEEPUQHMZTF-PLNGDYQASA-N 386.408 -1.027 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@@H]2O)nn1 964277820 HCPRYPAXPDPDRN-NEBZKDRISA-N 379.417 -1.040 30 20 GAED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 1023955339 XTOICDCQIYDYRY-MWQQHZPXSA-N 390.484 -1.066 30 20 GAED C#CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1108089131 BNSSFKDFBGHLOY-BVYOLEPJSA-N 379.457 -1.006 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1194053943 FBKIKQLUESETFW-KLHDSHLOSA-N 381.477 -1.371 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(CC#N)CC2)CC1 1321751707 LEBKECBKPFLVBS-UHFFFAOYSA-N 385.490 -1.168 30 20 GAED N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795539021 BMZVOQMWMPLKDV-XOIINTDNSA-N 391.472 -1.242 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1835359860 MBHGWHGPTVGRQX-FUHWJXTLSA-N 396.444 -1.603 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835641474 HVBCWJYCHZYXLV-SFHVURJKSA-N 377.445 -1.304 30 20 GAED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349528637 XVKZLFHFPGAULK-LLVKDONJSA-N 377.448 -1.794 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](O)[C@H](O)C2)CC1 444718758 PIJLRAYWBRRYPF-HUUCEWRRSA-N 394.453 -1.571 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CCCO1 809012033 PZJYMOHEDKQTFN-OLZOCXBDSA-N 384.414 -1.493 30 20 GAED CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCCNc3ncccc3C#N)CCN2C1=O 1340480591 YYUYUWIFALJTTD-CYBMUJFWSA-N 399.411 -1.024 30 20 GAED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262375 NIIGVVZYNPNUSK-LJQANCHMSA-N 381.473 -1.094 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793938801 HBMAKDKHKYNFTL-LSCVPOLPSA-N 377.401 -1.276 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1840043836 WQGHZDVOEUVCNB-DCGLDWPTSA-N 381.385 -2.746 30 20 GAED CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349518223 NDTDFJXQNAGLAL-SNVBAGLBSA-N 384.505 -1.606 30 20 GAED Cc1nc(S(=O)(=O)NCC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cn1C 737482203 DYXBFWVZQCWJLG-UHFFFAOYSA-N 391.377 -1.580 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](OC)C1 942130965 LYSSXZQEZPITEP-MHDGFBEUSA-N 392.416 -1.690 30 20 GAED N#Cc1cn(CC(=O)N2CCC(N3CCCS3(=O)=O)CC2)c(=O)nc1O 1626394207 ISAUWMWCAPOSRT-UHFFFAOYSA-N 381.414 -1.153 30 20 GAED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783895796 WPZDZHAUDANBIU-PSLIRLAXSA-N 393.429 -1.426 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784480387 YJUKVJBJMPAKJM-QXKUPLGCSA-N 394.472 -1.403 30 20 GAED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835889348 UZDDGDQIGYKPJX-SFHVURJKSA-N 381.429 -1.081 30 20 GAED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840041120 RLVIXCKYLKLAOA-SFHVURJKSA-N 388.380 -1.057 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840878959 XPJQMNFPSUXENK-RDTXWAMCSA-N 380.397 -1.043 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)O1 1109715958 LRWBJIYWPPNKFP-FQKPHLNHSA-N 377.445 -1.017 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CCC(N)=O)NC(C)=O 1111152215 SFTQYOJHNWLQRI-BARDWOONSA-N 377.445 -1.773 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cnc(N3CCCC3)nc2)c(=O)n(C)c1=O 1253303771 HSXFJNFPXWPKMJ-UHFFFAOYSA-N 393.429 -1.213 30 20 GAED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 1324408824 XLSUVMHECDZXFK-UHFFFAOYSA-N 393.488 -1.052 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 1346428506 YDLMDLAEBIMQTR-UHFFFAOYSA-N 378.454 -1.142 30 20 GAED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCO1 1588354196 HVGOEQGIZWGLQQ-GFCCVEGCSA-N 386.416 -1.235 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785154887 SOFSFXGBIGIZPW-CYDGBPFRSA-N 377.401 -1.132 30 20 GAED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773308 JWHUAPFQTNKDBO-QHBPRCKVSA-N 376.369 -1.280 30 20 GAED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CCC1=O 1832371115 ZDWOJRSLLZVDDG-QGZVFWFLSA-N 377.401 -1.035 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141840 AMPHEADQCQRHPC-WMLDXEAASA-N 394.432 -1.279 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)c1 1844796977 GMACMALRPIAXJM-UHFFFAOYSA-N 375.429 -1.010 30 20 GAED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 595994678 INOANEFHRYJXQX-HUUCEWRRSA-N 397.439 -1.628 30 20 GAED C=C(CNC(=O)CCn1ncn(C)c1=O)CNC(=O)CCn1ncn(C)c1=O 620750129 ZNJYRRFXPMQEJK-UHFFFAOYSA-N 392.420 -2.254 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)CC1 732220247 HCBOKSYVBAQUEE-UHFFFAOYSA-N 383.430 -1.440 30 20 GAED NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@@H]3CCN(O)C3=O)CC2=O)c1 820178772 ATJASXVJZWAGCN-BXKDBHETSA-N 382.398 -1.207 30 20 GAED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](C(=O)O[C@H](C)C(=O)NCC#C)O1 850142105 MAEIFCQETUKUNB-LVEBTZEWSA-N 378.381 -1.104 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nccnn3)CC2)c1=O 863271455 KCNSRTBSUWSXOX-UHFFFAOYSA-N 386.416 -1.492 30 20 GAED Cn1cc(C#N)c(=O)n(C/C=C/Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)c1=O 1592563569 USPWMWXHWWTGAM-ONEGZZNKSA-N 397.355 -2.284 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 1757017905 FGSXKZBJPHAPHD-KKOKHZNYSA-N 376.435 -2.681 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N(CC(N)=O)CC(=O)OCC)c1cc[nH]n1 277917375 DXVNXDCOOIARJV-XMHGGMMESA-N 383.361 -1.430 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 968510659 KNBCBPPUEKEEBO-XFMPKHEZSA-N 379.417 -1.749 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCn1c(O)nnc1O 1110746459 NWFQMXZTVIQUMK-UPJWGTAASA-N 376.417 -1.060 30 20 GAED CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110768928 NOCGTZSAHMZBOT-KFWWJZLASA-N 378.477 -1.196 30 20 GAED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 1219825664 FJUFPQAPMKEHIV-AHEZYBDSSA-N 389.456 -1.109 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)c1C#N 1606109811 YAQTUINXMCCPLK-UHFFFAOYSA-N 382.392 -1.279 30 20 GAED COC(=O)C[C@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@@H]1CC(=O)OC 276358790 YCRUNSKYECBAMW-KBPBESRZSA-N 394.428 -2.283 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 588124864 MTPLYSYLDJISLS-HNNXBMFYSA-N 377.445 -1.060 30 20 GAED CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1710988236 RUSCRILDZRBYLN-NWDGAFQWSA-N 382.446 -1.003 30 20 GAED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCO1 1776201999 NYBCJZXONOULGF-WCQYABFASA-N 376.435 -1.043 30 20 GAED CC(C)(C)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041481 OVLMFCRTFFAJNW-GOSISDBHSA-N 381.429 -1.081 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CO)CC1 495669344 IKOZNUZUIFDCAL-LBPRGKRZSA-N 380.426 -1.112 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H]4NC(=O)NC4=O)[C@H]3C2)CC1 1785153090 FNCAEBGYJWQQBV-RVMXOQNASA-N 389.412 -1.132 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1829765116 HBJKGMAKGMOQIT-DAFSOKFYSA-N 394.472 -1.104 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCSC[C@@H]2S(C)(=O)=O)C1=O 268113203 PBSCKXAESISRKL-JTQLQIEISA-N 375.428 -1.091 30 20 GAED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@H]1C 349526936 UPWYSZHNWTWHBH-NEPJUHHUSA-N 380.492 -1.006 30 20 GAED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 732216620 XAQFGKHKXBCDKS-GFCCVEGCSA-N 399.516 -1.246 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCS(=O)(=O)NC(C)C)CC1 1117174265 RVNVWKWECSAIQZ-UHFFFAOYSA-N 386.474 -1.582 30 20 GAED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1327022226 OKRPKJUMFHIMPV-KDOFPFPSSA-N 379.461 -1.078 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CC(=O)NCc2cnn[nH]2)C1 1575054086 PNRQGXBTMAOCGS-ZVZYQTTQSA-N 392.460 -1.045 30 20 GAED N#Cc1cn(CC(=O)N(Cc2cnn[nH]2)[C@H]2CCS(=O)(=O)C2)c(=O)nc1O 1577717690 NHTOAJPNUWUAGZ-NSHDSACASA-N 393.385 -1.845 30 20 GAED C#CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353128 HIXCDOXQOBRGCG-NSHDSACASA-N 386.416 -1.501 30 20 GAED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1791262367 ZXVANNBSDODTJP-YGJAXBLXSA-N 387.502 -1.065 30 20 GAED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791771219 DRBOWJIVIRYRPE-AVGNSLFASA-N 386.426 -1.511 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835750732 ZMMFAODCMMTFGE-OZVIIMIRSA-N 388.490 -1.646 30 20 GAED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1844287754 OFNUUOLCIRSSSH-CYBMUJFWSA-N 380.353 -1.227 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 518214767 ATZZGDAAMCWSKU-ZWKOPEQDSA-N 387.439 -1.501 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1109545858 POVYPTISFYFZBZ-VOAKCMCISA-N 382.442 -2.630 30 20 GAED C=CCN1CC[C@H](N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1=O 1322587266 BUICYWGBVCYVIP-CABCVRRESA-N 384.502 -1.306 30 20 GAED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 1326714968 CBOLKZJRJIPIGW-LSDHHAIUSA-N 384.502 -1.613 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1327928691 ZMFOWUXGPBKNHT-UHFFFAOYSA-N 380.405 -2.206 30 20 GAED CN(CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)C(=O)O 1782745428 OLBXNOLEDDSQMX-SFHVURJKSA-N 377.397 -1.227 30 20 GAED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(=O)O 1786898809 RRJVLOYDZDRZMK-CYDGBPFRSA-N 381.385 -1.883 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632838 VIKCADGNSNCVNK-YMSVYLFOSA-N 396.488 -1.258 30 20 GAED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc1 277400173 BEZZJSGPEIYKJY-ZIAGYGMSSA-N 383.426 -1.004 30 20 GAED COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CNc1ccc(C#N)cn1 598904287 KPOYFZQXLIWYFL-RYUDHWBXSA-N 386.368 -0.941 30 20 GAED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 842175069 MVASRQFNQFCQJR-OAHLLOKOSA-N 399.455 -1.096 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 872515597 RCKOCTZGZASGTG-UHFFFAOYSA-N 380.492 -1.573 30 20 GAED CNC(=O)CCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1340719555 DFNMKAZGIIAMRS-UHFFFAOYSA-N 375.433 -1.109 30 20 GAED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CNCC(=O)NCc2cnn[nH]2)C1 1575013043 JWGLCRSTDAXUEQ-UKRRQHHQSA-N 378.433 -1.334 30 20 GAED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354947 BFASUIJDWFNLNX-JQWIXIFHSA-N 375.389 -1.218 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786885233 SXBCDSXWXPQOOP-QXKUPLGCSA-N 394.472 -1.403 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831401587 DGCOQSVLCFILBL-KBXCAEBGSA-N 378.381 -1.431 30 20 GAED O=C1NC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)O1 1831564102 XSJWMWSSVFUIMW-KSSFIOAISA-N 377.397 -1.035 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(N)=O)C3)C2)c1 1838742947 SKRXEITZEPYEKI-QGZVFWFLSA-N 390.400 -1.375 30 20 GAED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041905 OSLPXQWYQDDYSE-INIZCTEOSA-N 377.357 -1.729 30 20 GAED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 287052051 SSEHYMFSDQYAQQ-MRXNPFEDSA-N 385.472 -1.036 30 20 GAED Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 348344905 LAQBMWVXDLJKHC-UHFFFAOYSA-N 391.479 -2.160 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 410135737 RQLSWGKGZOUSRJ-QWHCGFSZSA-N 396.491 -1.466 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2CS(=O)(=O)NC)c1=O 749971435 IQYGUBABDJCXOG-CYBMUJFWSA-N 399.473 -1.485 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1218639336 PRECAIFLSUYAAJ-MROQNXINSA-N 379.417 -1.969 30 20 GAED COCC#CCN1CC(N2C[C@H](NC(=O)[C@@H](C)OCc3cnn[nH]3)CC2=O)C1 1576951981 DAVWJVNUZTYKGS-ZIAGYGMSSA-N 390.444 -1.239 30 20 GAED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588659040 HDFNCEAIVNIYTN-UHFFFAOYSA-N 379.402 -1.437 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)CCC1 1783261693 HIRMOJMSJIXJPK-LJQANCHMSA-N 394.472 -1.203 30 20 GAED CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784371873 HVLAGUZMPVXBDW-RFGFWPKPSA-N 379.413 -1.031 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1793360671 YAQMYVHRPDGUKS-CUSZFKRNSA-N 399.488 -1.546 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1830985838 SCRKIZUHXQHAAE-KBXCAEBGSA-N 390.396 -1.012 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831391060 FHXXXYFETGVXSY-QMTMVMCOSA-N 393.440 -1.240 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@@H]2O)CC1 966007183 PWTZJYSENDISKM-ORQFMDKSSA-N 379.457 -1.177 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1791072660 RITQEWRBIATYIK-SRVKXCTJSA-N 392.368 -2.394 30 20 GAED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1840167565 YRDZYZULRDHUSC-QGZVFWFLSA-N 376.417 -1.067 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 409577953 RTNAARALUXBHMU-UHFFFAOYSA-N 387.462 -1.484 30 20 GAED C#CCNc1nc(NCCN2CC[C@H](O)C2)nc(NCCN2CC[C@H](O)C2)n1 858868548 LYGSCFUCSSCTFZ-GJZGRUSLSA-N 390.492 -1.126 30 20 GAED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920409199 VUOZJKMKTPNJEJ-STQMWFEESA-N 379.504 -1.188 30 20 GAED C#CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588354152 HATSUSUMYDAZMG-RISCZKNCSA-N 386.416 -1.237 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)ccn2)CC1 1588486041 JILULVBOOJJCBK-UHFFFAOYSA-N 388.427 -1.446 30 20 GAED NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1814809781 FBNVKMJDAVVIPD-BDAKNGLRSA-N 393.425 -1.264 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)CCC1 1840812947 UEDNCASNKIKKDQ-KRWDZBQOSA-N 389.416 -1.177 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](NC(N)=O)C1 349461455 JTCFZAGJYVYNHC-QWRGUYRKSA-N 381.480 -1.377 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 1025063716 ICLPHOMIEZSMHM-QZPUYBJASA-N 391.428 -1.183 30 20 GAED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CNC(C)=O 1110731284 RWBJZOCIIKOVSJ-NGFQHRJXSA-N 379.461 -1.349 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1111242231 WOMISJUZLOJZHW-DGAVXFQQSA-N 375.429 -1.212 30 20 GAED C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322942478 NHBKCAFFIHOUSF-DKASORFFSA-N 379.417 -1.534 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1=O 1327163400 CJXWRAVMCVKGFV-QWHCGFSZSA-N 386.474 -1.276 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358206 VKWFAIGZJVALMW-ACJLOTCBSA-N 392.412 -1.643 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349475288 MFOZFRFQKPMAKT-SRVKXCTJSA-N 378.476 -1.109 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 969702799 WMPYXGQQVWXFHU-MQYQWHSLSA-N 379.417 -1.831 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CC(=O)OC)C(=O)OC)c1cc[nH]n1 278175864 TXIGYUVDRPLWMZ-AUXBAGKGSA-N 384.345 -1.086 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 728573350 NRHXJHZHRLMQBS-UHFFFAOYSA-N 376.417 -2.784 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 848958901 LQICYHVBOAHAJN-ZDUSSCGKSA-N 390.487 -1.343 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 1025733076 UUPIMHRDHBREFI-LPWJVIDDSA-N 380.401 -1.841 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O 1257126605 NCHHOWRBZJRKIV-ZDUSSCGKSA-N 386.474 -1.228 30 20 GAED C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1588362200 YANWVXPUONINJY-RISCZKNCSA-N 387.400 -1.074 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797801612 VLCPFVALMNQFIG-RUEZSYAVSA-N 395.456 -1.735 30 20 GAED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1837559944 FMYYGXVSZNLYDQ-OGUWASHFSA-N 381.385 -1.534 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041953 RRLJTYMWUFISOR-PXAZEXFGSA-N 396.400 -2.876 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CNc1ccc(C#N)cn1)C2 469888008 GLWJKTQFROIYHF-UHFFFAOYSA-N 384.400 -1.146 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1=O 523379090 RQXUGKWLSBLMAF-UHFFFAOYSA-N 387.352 -1.183 30 20 GAED COCCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 579853674 ZCAZSPZUSBOUGR-UHFFFAOYSA-N 390.443 -1.471 30 20 GAED Cn1c(=O)c2c(ncn2CCC(=O)OCCn2ncc(C#N)c2N)n(C)c1=O 731772413 XGYNQOJIFAVPBL-UHFFFAOYSA-N 386.372 -1.282 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959618 NFLRTKJHRSWMLI-UHFFFAOYSA-N 376.460 -1.683 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)O1 962135438 XINGTUSAJQYJPT-CBBWQLFWSA-N 389.412 -1.176 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1O 964615466 UCEFMJMKVNZQTO-MQYQWHSLSA-N 379.413 -1.196 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2O)CC1 1024130839 PWTZJYSENDISKM-SVGFKBNWSA-N 379.457 -1.177 30 20 GAED COCCN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1109361202 ONHJPJBIRYXHRW-XGUBFFRZSA-N 377.445 -1.157 30 20 GAED C#CCNC(=O)C1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1116951412 HHOOOUSYEGSPFZ-ZDUSSCGKSA-N 384.458 -1.539 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)C1=O 1323157744 GDKKNURBAOXVBF-BMLIUANNSA-N 391.384 -1.058 30 20 GAED CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1OC 1346277843 RPEIZMKELPBJEV-LCSIIJMXSA-N 380.401 -1.062 30 20 GAED C#CCNC(=O)CC(=O)N1CC([C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353884 AITPLPOLZKBMME-SNVBAGLBSA-N 384.400 -1.089 30 20 GAED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O 1776398534 DRHJARYRNGOHDP-JTQLQIEISA-N 387.418 -1.064 30 20 GAED N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016810 PPMGPBGMKCJYIT-LASGFXPTSA-N 379.465 -1.229 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783931471 IEPRITBRJARUGH-IAGOWNOFSA-N 382.369 -1.480 30 20 GAED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1)C(F)(F)F 1839893168 NVPJJOCDSPSQTK-FZMZJTMJSA-N 380.367 -1.153 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1=O 628813481 RXNRJRZMFLJDJX-GHMZBOCLSA-N 386.430 -1.060 30 20 GAED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1=O 799129526 PKZGNGSORRGFLR-UONOGXRCSA-N 391.515 -1.092 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@@H]1CCCO1 809308393 HYCWAOTWALSTLD-KBPBESRZSA-N 376.413 -1.767 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H]2OCC[C@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108481729 DLDIQNAHGQCFQB-CTASWTNQSA-N 383.470 -1.529 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1CCCS1(=O)=O 1110461694 DRGSEYFYGGAJEO-KFWWJZLASA-N 382.486 -1.117 30 20 GAED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1524677890 RWBAJBDYMGILEH-FRRDWIJNSA-N 385.442 -1.116 30 20 GAED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1785422147 CQDVSECMKLBQAA-KRWDZBQOSA-N 385.384 -1.331 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC1 774880931 ULTYPJHYCMPCEW-UHFFFAOYSA-N 394.519 -2.035 30 20 GAED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 1025677303 LOGHWAMSGNRHHG-RUZUBIRVSA-N 392.416 -1.811 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1792484404 GBSWGVGJSANYQM-YMQQLRJXSA-N 392.456 -1.054 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800577503 OWTNAQUTOYFJSI-MIFYACCESA-N 382.461 -1.588 30 20 GAED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800984080 ICFDRSPMADYBRI-GUDRVLHUSA-N 381.391 -1.381 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830057665 KDFKIKMKCNBMJK-QGZVFWFLSA-N 377.401 -1.132 30 20 GAED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=N)N)CCO2 1835567880 OITVUDVKYMFSLA-SFHVURJKSA-N 397.476 -1.091 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cncn1 1840044212 PZXBASBCMPZNHS-GUYCJALGSA-N 391.384 -1.617 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCC(S(N)(=O)=O)CC1)c1cc[nH]n1 772199664 KAORTYBDZUZAFP-UHFFFAOYSA-N 387.418 -1.027 30 20 GAED C[C@@H](CC(=O)N1C[C@H](O)C[C@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 862682282 WDGJJIAKSAMENZ-UMNHJUIQSA-N 380.426 -1.049 30 20 GAED C#CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1040420558 OOBLVGFRABKCOZ-GGDSHFIHSA-N 375.425 -1.371 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799138278 AZZWXBNRTWIKHC-QRJUGERDSA-N 393.488 -1.419 30 20 GAED Cc1cnc2c(S(=O)(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)cccc2c1 2048532243 QUZZYDUOFZJBMI-APYUEPQZSA-N 387.410 -1.316 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 601448196 ALOLKVGAMXLSCQ-UHFFFAOYSA-N 390.488 -1.189 30 20 GAED CN(C)C(=O)[C@H]1CN(CC(=O)NCCC#N)CCN1CC(=O)NCCC#N 1320023805 KZTZYTZXOHIYKN-CQSZACIVSA-N 377.449 -1.879 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1OC 946822317 PLKUSAUAXUWOPW-FVCCEPFGSA-N 380.401 -1.529 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CC(=O)NC1=O 960753302 DZGYZNXQTZLXGA-ZOBORPQBSA-N 392.412 -1.433 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@@H]1O 964489214 CLDPLCDTJRWNMX-OXIQGZBJSA-N 389.412 -1.142 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 1023782670 WMJFOFGDSLMZBF-SYQHCUMBSA-N 386.412 -1.054 30 20 GAED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1322539195 WGLBVZQSELASHF-GFCCVEGCSA-N 394.457 -1.064 30 20 GAED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccn2)c1=O 1325836934 SAAKQHCCAPOBHL-UHFFFAOYSA-N 375.435 -1.119 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 1328147663 LZOOFDZZHNJTSS-UHFFFAOYSA-N 382.442 -1.026 30 20 GAED C=C(C)Cn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1342614899 IATODULRWLCWMX-QWHCGFSZSA-N 387.444 -1.053 30 20 GAED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)c(=O)nc1O 1801973278 ZMEPRNQOPWAGFV-JJLQDPRZSA-N 375.385 -1.239 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575732 UKVZJLFVDNJHNU-SUMWQHHRSA-N 398.464 -1.273 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H](N)C(N)=O)CCO2 1835752785 SKMROSHMBXPUEQ-KSSFIOAISA-N 380.445 -1.551 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 825975385 PQUCGQNWCRQCCK-UHFFFAOYSA-N 393.469 -1.559 30 20 GAED N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 834516957 OGTVYZWJLLMEGO-TZMCWYRMSA-N 377.426 -1.352 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)N(CCO)[C@H](C)C2)c1=O 840136186 YTEHHMWMCVSFDD-GASCZTMLSA-N 379.461 -1.112 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)CN2CCOCC2)CC1 893114673 XAODAZZFRMCRCO-OAHLLOKOSA-N 387.506 -1.251 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 963330085 GMMASYRCBISNJO-GHYVTOPFSA-N 392.412 -1.231 30 20 GAED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)CC1 1024367605 XWDJALSAVVKPNH-SVGFKBNWSA-N 379.457 -1.177 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc1 1120282890 YIGKJKYRXDSGSH-ZDUSSCGKSA-N 377.426 -1.095 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1=O 1346201078 UWOPLDXKXFVLIW-OAHLLOKOSA-N 393.488 -1.100 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)C(=O)CC(=O)NCc2cnn[nH]2)C1 1575013835 UUORSGWKWQCFGJ-TZMCWYRMSA-N 376.417 -1.091 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)nn1 1588711643 VFIFRCWSVXNJTH-JTQLQIEISA-N 385.392 -1.021 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783155334 JLBAEHWDCMXOOD-ZYPMXUCASA-N 390.440 -1.189 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1791077809 XECITYKGJCXKIT-XDQVBPFNSA-N 398.437 -1.369 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833764054 HHZVUJQRKRJVQU-CQSZACIVSA-N 375.429 -1.211 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835859423 WTRCLJQUMKQRGY-MRXNPFEDSA-N 378.341 -1.727 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840041290 CPRUOYXWDATSRN-SFHVURJKSA-N 390.348 -1.202 30 20 GAED N#Cc1ccc(Cn2cnc(=NC(=O)C(=O)NCCN=c3cncc[nH]3)[nH]2)cc1 491307864 HGUMVMURKLIQOM-UHFFFAOYSA-N 391.395 -1.001 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)C1=O 520760582 CRNFFQRFULXEGS-UHFFFAOYSA-N 393.400 -1.840 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 749982141 VWTRQDGITWWYPJ-INIZCTEOSA-N 391.453 -1.390 30 20 GAED N#Cc1ccc(CNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1116428840 YWCIRUAWTZCDFM-DLBZAZTESA-N 392.481 -1.050 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@@H]1CCCO1 1116669645 HDPGKKPCNQAOMB-GJZGRUSLSA-N 390.444 -1.204 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859461 VSQIDXJXPVIXMH-QVHKTLOISA-N 378.433 -1.164 30 20 GAED CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775048 XJRZAQQIRIGEQI-BZBKMWRSSA-N 379.398 -1.129 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800776092 ROPHTPLCTPDSIX-DPIQGUFMSA-N 389.364 -1.313 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807713242 XYOAULRJQBLUKX-YRBFXIGRSA-N 386.408 -1.102 30 20 GAED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCCN1 1839123436 POXRACULWYQVAJ-MSOLQXFVSA-N 379.413 -1.327 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CC(C(N)=O)=NO1 281517715 HELQFMWEICADDD-GXSJLCMTSA-N 379.398 -1.029 30 20 GAED CN1C[C@H](C(=O)N2CCN(C/C(O)=N/[C@@H]3CCS(=O)(=O)C3)CC2)CC1=O 329578419 KOBBRIOCHRPOHX-CHWSQXEVSA-N 386.474 -1.248 30 20 GAED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)n1 349466239 QKNMTFUBZMRXNS-UHFFFAOYSA-N 377.448 -1.180 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)c1C#N 540653138 IGOAVMKBKJEZLT-UHFFFAOYSA-N 392.445 -1.207 30 20 GAED COc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)cc1C#N 599970855 JHDMPYKYGHZUIX-JTQLQIEISA-N 389.343 -1.186 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@@H]1O 964614996 AOFJFHKYWFLLIN-MQYQWHSLSA-N 392.412 -1.382 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2O)nn1 1023770700 ALQBYPBOFAVQHZ-GFQSEFKGSA-N 376.417 -1.510 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1O 1023961691 IBKQVUHAUCABBG-TUVASFSCSA-N 380.445 -1.913 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 1324336552 JLOULQIZPJEYSL-CQSZACIVSA-N 385.486 -1.138 30 20 GAED C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN[C@H](C)C1 1574937471 XJBXCXOBCYANRZ-VXGBXAGGSA-N 385.494 -1.011 30 20 GAED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349536265 NJAGZVQRFWKPEM-NQBHXWOUSA-N 381.476 -1.333 30 20 GAED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)cn1)[C@@H]1CCS(=O)(=O)C1 532033908 PRLZYJWMFTXTOJ-LLVKDONJSA-N 376.460 -1.100 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 728589953 OFSWMAUENXVUHC-UHFFFAOYSA-N 389.441 -1.282 30 20 GAED C#CCNC(=O)C1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 747742742 YJPICGBVCITPMH-UHFFFAOYSA-N 386.412 -1.578 30 20 GAED C=CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H](C)COC 1261691924 ABQKJFDMAMDRBS-CYBMUJFWSA-N 377.463 -1.186 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 1326781483 LKZKIEFRDKRCND-UHFFFAOYSA-N 381.458 -1.430 30 20 GAED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800581867 CNEGTRPPXXIVMW-HGKCTWBKSA-N 381.473 -1.334 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837515464 VPPYVQGITJETGY-NVXWUHKLSA-N 382.417 -1.993 30 20 GAED C#CCN(C)CCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 815860312 GJWMFQLFMUXSJG-UHFFFAOYSA-N 390.444 -1.248 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1CCS(=O)(=O)CC1 862733563 GJOBLIQUPCYGOT-NSHDSACASA-N 386.455 -1.013 30 20 GAED COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)nn1 1326507110 VBPMDNIUOMSYRW-CYBMUJFWSA-N 389.416 -1.058 30 20 GAED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1C[C@H](O)CN1 1799140599 NYXVBRSHFJIPBG-JVZOWTQYSA-N 393.488 -1.230 30 20 GAED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)C(=O)C(=O)O 1800259291 FSCUOQLOUCRBPQ-PTEHBNRSSA-N 378.385 -1.577 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839223829 ALESADBHTFZFKZ-DYVFJYSZSA-N 398.464 -1.273 30 20 GAED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044637 PEPYLWOKOGKSKH-SJCJKPOMSA-N 381.385 -1.945 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 409489488 ZAAPPYDTWPQTTG-GFCCVEGCSA-N 383.496 -1.402 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(N)=O)C(=O)C2)cc1 412421870 QZUZPVBMSVPOIS-UHFFFAOYSA-N 379.398 -2.007 30 20 GAED CS(=O)(=O)N1CCN(S(=O)(=O)NCC2CCN(CC#N)CC2)CC1 427808428 PQVBBEYJRHZPCY-UHFFFAOYSA-N 379.508 -1.366 30 20 GAED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 820451563 VWJQEOKZTWIXRG-ZCFIWIBFSA-N 391.377 -1.500 30 20 GAED CS(=O)(=O)N1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 1321509134 OLNNVSVSWGBAMO-UHFFFAOYSA-N 394.457 -1.025 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588350909 ABBJFBDSYJVDDH-ILXRZTDVSA-N 398.427 -1.406 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1593339372 NDVIHRGAZDPVOV-ZWNOBZJWSA-N 394.409 -1.021 30 20 GAED N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1814928216 RRKLWAJJCHYMRB-SECBINFHSA-N 390.425 -1.017 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761327 XKOSRPRHSBTPBV-CJNGLKHVSA-N 384.389 -1.579 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761328 XKOSRPRHSBTPBV-CZUORRHYSA-N 384.389 -1.579 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840595575 ARLYBLDVHPDJCW-SFHVURJKSA-N 380.397 -1.164 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1841054152 QWUOJUDCSZNCEL-RXNFCKPNSA-N 389.412 -1.354 30 20 GAED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)CC(=O)N1 349508182 WIAXXBPXHURRED-NSHDSACASA-N 378.476 -1.156 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1=O 590315196 ZVCDZBSOIGDGLP-LBPRGKRZSA-N 379.417 -1.333 30 20 GAED COCCCN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CCS(=O)(=O)C1 1349331646 SNJUDLHZKLUZRI-CZUORRHYSA-N 387.458 -1.084 30 20 GAED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)OCc2cnn[nH]2)CCCO1 1575004888 OTKPYXAFYOVSIG-ZFWWWQNUSA-N 378.433 -1.334 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588721841 OYWVIXASCFUXPG-BREBYQMCSA-N 375.389 -1.007 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837729746 KWIDHAXJHAJVIH-YOEHRIQHSA-N 382.417 -1.492 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1840444827 VPIJGYZFYPOXAH-KDOFPFPSSA-N 390.396 -1.012 30 20 GAED Cn1c(=O)c2c(ncn2CCN(CCC#N)CCN2CCOCC2)n(C)c1=O 180722611 FSGSIWWEENFOKT-UHFFFAOYSA-N 389.460 -1.018 30 20 GAED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349504116 QILGAGWOSHOHRN-UHFFFAOYSA-N 376.464 -1.011 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 816754810 MBROFQXPECYYMV-BXKDBHETSA-N 384.414 -1.051 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1261450176 UGMZNDGDGGZUFA-RYUDHWBXSA-N 399.411 -1.351 30 20 GAED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588359860 ZKQLIQGPPOVQET-QGZVFWFLSA-N 387.400 -1.072 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1837550265 VWXBFMAEALNSTP-SFHVURJKSA-N 390.396 -1.198 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839809997 YBMXHTRMQBXSMI-APWZRJJASA-N 378.473 -1.288 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1840841825 YBRFZZLIAUIIAG-KBXCAEBGSA-N 381.429 -1.081 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(S(C)(=O)=O)CC2)c1=O 912791915 JKZOFQXNUIYADM-UHFFFAOYSA-N 399.473 -1.532 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 968410814 IKOZMPBBJLTGLC-RJZRQDKASA-N 378.433 -1.515 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCCC[C@H]2S(C)(=O)=O)c(=O)n(C)c1=O 1319402424 APHLHHSESAFFAO-SNVBAGLBSA-N 392.459 -1.295 30 20 GAED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329962754 URIRYLBBMYYOTQ-JSGCOSHPSA-N 383.474 -1.417 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 1346797423 SCUNGOVWGXEDHX-GFCCVEGCSA-N 397.457 -1.333 30 20 GAED NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558579 ZSNKUDPLWFOBDB-SFHVURJKSA-N 386.364 -1.288 30 20 GAED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1832930963 UBOAWOLQVZFKKX-KRWDZBQOSA-N 392.368 -1.535 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1834563984 POCXBRXJBLKNOV-SFHVURJKSA-N 387.396 -1.670 30 20 GAED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n[nH]1 1840043395 VQYFNPFUUKXKTO-QGZVFWFLSA-N 376.369 -1.124 30 20 GAED COC(=O)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1C 814883124 AXRGLBUANLLCQR-UHFFFAOYSA-N 383.386 -1.479 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1nnnn1-c1ccccc1 1350573622 OIKOCPHPZGPCBS-UHFFFAOYSA-N 378.414 -1.005 30 20 GAED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779226721 YNQKHKLABYYCKT-DYVFJYSZSA-N 375.385 -1.168 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787480320 PXZMCROGCKEALE-DCAQKATOSA-N 391.340 -1.001 30 20 GAED N#Cc1ncccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 277044983 PPVJWPZNWVJBGH-QWHCGFSZSA-N 386.455 -1.271 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2csnc2C(=O)OC)CC1 756168840 CZMGZQPRDZSXPC-UHFFFAOYSA-N 386.455 -1.015 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 944975459 OKCNGKOLISFUQL-FVCCEPFGSA-N 380.401 -1.529 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 1323712347 KGWUBRWPIXMTGD-LBPRGKRZSA-N 396.487 -1.635 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588351543 YIZFHVDSMNSYRT-QLFBSQMISA-N 398.427 -1.406 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 1588354687 WCQXSEZJTOWPCR-ZWNOBZJWSA-N 384.400 -1.089 30 20 GAED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C(O)O)C4)c2c1 1799883021 BZLCWOGWRGLWLG-GNXNZQSNSA-N 385.380 -1.052 30 20 GAED C/N=C(/NCC(=O)N(C)C)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 262279500 ITBMQZUNDJOKGM-CYBMUJFWSA-N 375.495 -1.224 30 20 GAED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 519648392 LBGJDBNEZRSNDJ-NSHDSACASA-N 377.444 -1.148 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCC(=O)N2CCNCC2)CC1 564194306 TUQRHKLFPQVBBA-UHFFFAOYSA-N 384.440 -1.245 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1n1ccnn1 990964037 XFAYCIPJFGYZAM-MQYQWHSLSA-N 387.404 -1.576 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)c1-c1nn[nH]n1 1606109475 IXMMBWIWJOYUHF-UHFFFAOYSA-N 382.392 -1.279 30 20 GAED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790906619 HMCMQWBZPTYKOE-JYJNAYRXSA-N 396.488 -1.198 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831391061 FHXXXYFETGVXSY-SPYBWZPUSA-N 393.440 -1.240 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 298566413 FBXIIMLRHIAAEH-JKSUJKDBSA-N 385.424 -1.064 30 20 GAED C=CCOC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OC 481773707 FFVUGSWDRLUWIM-JTQLQIEISA-N 379.373 -1.706 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)C1=O 549721937 MVLPCCPHAAWDHR-IZNOGUHPSA-N 375.381 -1.450 30 20 GAED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCNC2=O)n1 595962681 SGSYBONYPYMMQT-NSHDSACASA-N 387.443 -1.107 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 728530399 CHPXDFFHJLTIDK-UHFFFAOYSA-N 382.446 -2.186 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 728530430 DXJWEFQSIYIZGO-UHFFFAOYSA-N 378.454 -1.018 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 1327750060 RMZQIOYGWKOBDV-UHFFFAOYSA-N 377.426 -1.154 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831438575 QRNVAMWECKNTTO-SUMWQHHRSA-N 384.433 -1.298 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840043966 FKKYQRNHUXXLCE-GOSISDBHSA-N 389.364 -1.055 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1840172755 HHFIMCMUIOIKGH-OAHLLOKOSA-N 391.361 -1.256 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COCCO3)CC2)c1C#N 551526551 NCMRIDYORIQLEB-CYBMUJFWSA-N 376.417 -1.220 30 20 GAED CCOCCCNC(=O)[C@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 916868057 JDMBEMBQNZQNPA-LLVKDONJSA-N 390.400 -1.315 30 20 GAED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(CC(=O)NCc2cnn[nH]2)C[C@@H]1O 1575072965 MKBYEZSDBPLXGT-JKIFEVAISA-N 380.449 -1.189 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732148 LTEMROVPHWOTQN-WCXIOVBPSA-N 381.473 -1.051 30 20 GAED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CN)C2 1801992314 DGIADMREPUZVLR-KRXQYRFLSA-N 387.440 -1.187 30 20 GAED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)cc1 1830400485 FGNYHNJXFKHZQD-GOSISDBHSA-N 375.381 -1.061 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCNC3)CC2)cc1 419878577 JOFYUSOHXLPEKB-CQSZACIVSA-N 391.453 -1.131 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCN2CCCC2)CC1 872515076 FKKMLZORTOHTLE-UHFFFAOYSA-N 378.520 -1.113 30 20 GAED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1800995323 DKDNAHRYBNWZCE-YWVIFJGQSA-N 379.413 -1.078 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831396324 JJZCORSIHQWARB-SCLBCKFNSA-N 392.412 -1.643 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832697407 OGIAABAIAIQFLT-SJKOYZFVSA-N 380.401 -1.383 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840897105 LMPYTCMAEAPMMU-MRXNPFEDSA-N 397.478 -1.064 30 20 GAED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(N)=O)ncc1C#N 349518655 NXQZSVBVGUOVQP-UHFFFAOYSA-N 389.459 -0.860 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1=O 478870525 QEQSFXJYBIDBJB-AWEZNQCLSA-N 394.428 -1.087 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CCC(N)=O)NC(C)=O 1111152401 WQYFVXZGZBNNMG-BARDWOONSA-N 379.461 -1.220 30 20 GAED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573308978 AKEHNAJZDDXEOR-OAHLLOKOSA-N 375.389 -1.175 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H](CO)CNC(=O)c1cncc(-c2cnn[nH]2)c1 1575004236 BLTKXNHMOCZZPO-CYBMUJFWSA-N 385.384 -1.787 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cnnn1 1835347855 HUKKVANIZZILLM-CXAGYDPISA-N 389.416 -1.006 30 20 GAED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043262 OHAWTBFJVBAXKS-KRWDZBQOSA-N 376.369 -1.124 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CCN(S(C)(=O)=O)CC1)c1cc[nH]n1 278125079 PHGMTJFSAVRAKA-GHRIWEEISA-N 387.418 -1.203 30 20 GAED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349503169 KSKHXGUYJGDZJD-LBPRGKRZSA-N 391.475 -1.452 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3C(=O)CNC3=O)CC2)nc1 1322756010 HJATZQYAOHPDGC-UHFFFAOYSA-N 385.384 -1.730 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1323085595 XLNYFGGNCRGFQG-STQMWFEESA-N 392.503 -2.237 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)C1 1326127146 LTEOPQNVTTWTQS-GOSISDBHSA-N 380.445 -1.139 30 20 GAED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1524677891 RWBAJBDYMGILEH-JHJVBQTASA-N 385.442 -1.116 30 20 GAED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795732071 AKWSTVJLTMKAQR-ORXSELOVSA-N 392.441 -1.061 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H](C)O[C@@H](CO)C3)CC2)c1C#N 410834951 MARHUGHTLSFEMK-TZMCWYRMSA-N 390.444 -1.143 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN([C@@H](C(=O)O)C(C)C)C2=O)C1=O 479006877 PWWPBKXSLCHIDR-ZYHUDNBSSA-N 394.384 -1.211 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 569460579 XCDPPYYBYCPIKI-GFCCVEGCSA-N 380.382 -1.663 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 826551160 YTVGJTOABBJIGF-CQSZACIVSA-N 385.490 -1.814 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)O1 962388788 HDHSYEQEAVHUGA-CBBWQLFWSA-N 389.412 -1.176 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 962935430 WAGZYQSLBWEJCM-NDBYEHHHSA-N 389.412 -1.142 30 20 GAED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1065065041 JEWTXWKVNXERBZ-YQBONMRBSA-N 375.425 -1.107 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@@H]1CCCO1 1117580095 AXUOYFOJIPYZJO-KGLIPLIRSA-N 380.426 -1.227 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1261181233 SAHXLHLAXWISNA-LLVKDONJSA-N 381.476 -1.756 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1=O 1325601263 UQQXSPQFOFKBMN-QWHCGFSZSA-N 386.474 -1.371 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1341900523 LPOJJWVVKBMYNZ-UHFFFAOYSA-N 380.430 -1.733 30 20 GAED C#CCNC(=O)CC(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573285508 IMOPVSPSUXVJFM-XYPYZODXSA-N 384.400 -1.041 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588351542 YIZFHVDSMNSYRT-ILXRZTDVSA-N 398.427 -1.406 30 20 GAED COC(=O)C[C@@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@@H]1CC(=O)O 1606447262 WQISRXKJXGYELA-QWHCGFSZSA-N 380.401 -2.372 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1834755805 DASJECRXPYFHDI-MRXNPFEDSA-N 379.373 -2.092 30 20 GAED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(CC(=O)N(C)C)CC1 536342452 RPQNEPZCIWDBJY-UHFFFAOYSA-N 390.492 -1.040 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(S(C)(=O)=O)C1 565229772 MMTLRKMOBYZZQW-UHFFFAOYSA-N 387.505 -1.343 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)NCCOCCS(N)(=O)=O)CC2)c1C#N 596622963 NSEOQBPZPNXEEB-UHFFFAOYSA-N 399.477 -1.263 30 20 GAED C#C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 784848039 CNOOIBCEIVWAJG-NSHDSACASA-N 378.410 -1.117 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)Cc2noc(C)c2-c2nn[nH]n2)CC1 823850269 LYQUDDARONBVQI-UHFFFAOYSA-N 386.416 -1.011 30 20 GAED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850285 MMDOLZJXRZCPAX-OAHLLOKOSA-N 391.457 -1.015 30 20 GAED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CCN2C1=O 1328685178 NGJGVPRURSQPEX-ZDUSSCGKSA-N 376.417 -1.415 30 20 GAED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1524677893 RWBAJBDYMGILEH-YNEHKIRRSA-N 385.442 -1.116 30 20 GAED C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1573651668 OCFFSMMUMMYEQO-ZDMBXUJBSA-N 377.390 -1.584 30 20 GAED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1799393839 PVMDGGJLVNXYNF-XYFZXANASA-N 397.476 -1.030 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1834756435 XABNYQPIKLNSCG-INIZCTEOSA-N 379.373 -2.092 30 20 GAED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041288 CPIYQOWKXXEWOA-MJICGBHWSA-N 394.380 -1.350 30 20 GAED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cnn1C 1840041423 LTTAEINVLAJORR-GOSISDBHSA-N 390.396 -1.113 30 20 GAED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 409595427 PUULVONAFBRIJD-NWDGAFQWSA-N 380.492 -1.052 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)C1=O 488289347 FKMZIBBMOBWXAT-VHSXEESVSA-N 382.373 -1.464 30 20 GAED C=CCN1CCN(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C1=O 839962546 BKSWVMLZEBOGAD-UHFFFAOYSA-N 386.522 -1.023 30 20 GAED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1220347314 LZQKRFXJHHLMRW-CBBWQLFWSA-N 393.444 -2.043 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1262492390 HCEKTNBRNWHOPM-ZDUSSCGKSA-N 377.426 -1.095 30 20 GAED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 1326714963 CBOLKZJRJIPIGW-CABCVRRESA-N 384.502 -1.613 30 20 GAED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1784380590 RJJWQAWBZNAVGC-KKUMJFAQSA-N 388.424 -1.069 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1 1787422266 ATSXGTIHQOXTOQ-RPCHJZGYSA-N 379.461 -1.890 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789877829 YYOBTXHUADMSBA-UMTODZBQSA-N 392.456 -1.041 30 20 GAED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(=O)C(=O)O 1790637069 XYBCIENMPGPMDI-SRVKXCTJSA-N 395.368 -2.403 30 20 GAED C/N=C(/NCCn1cncn1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261783840 PPGDANUEFWCHES-UHFFFAOYSA-N 382.450 -1.011 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)CC2)c1C#N 599962883 XDXCXCPVCHEXGE-CYBMUJFWSA-N 375.433 -1.647 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@@H]1CCCO1 842163661 NXRHEYCTVYBNGZ-KBPBESRZSA-N 384.458 -2.271 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[C@H]1CCCO1 1329627183 UHVSIOKTZGHJCV-LSDHHAIUSA-N 378.429 -1.120 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1=O 1330905050 WLEOAPVYJLLYRC-QGZVFWFLSA-N 391.384 -1.200 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1834760809 KXGRDDOEAAAWFS-WBVHZDCISA-N 382.417 -1.993 30 20 GAED CCn1cc(C#N)c(=O)n(CC(=O)c2c(N)n(CCOC)c(O)nc2=O)c1=O 298612585 SDNDCXVUEXJJMS-UHFFFAOYSA-N 390.356 -1.725 30 20 GAED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CCO)CC1 460712633 DARCKHVJUDMORD-UHFFFAOYSA-N 383.412 -0.478 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cc(C(=O)O)ccc2O)c(=O)n(C)c1=O 833053937 HRUMIKSIGJEAJN-UHFFFAOYSA-N 382.354 -1.200 30 20 GAED C=CCn1cc(C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)nn2)nn1 1573347310 BSDYLYIWAXEXFZ-UHFFFAOYSA-N 385.392 -1.019 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831391528 PSAFCLPXCPAUBQ-RDTXWAMCSA-N 381.429 -1.431 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835535039 CUHNDIWYCOPLED-CQSZACIVSA-N 390.333 -1.919 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837204904 MIUQLDPFLQSDKF-YOEHRIQHSA-N 398.416 -1.189 30 20 GAED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837464149 JXOQWTZIGBPZLF-MRXNPFEDSA-N 383.474 -1.160 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840041291 CRJKAYKYGVJMDK-GOSISDBHSA-N 395.412 -2.137 30 20 GAED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414765 AQMPXASXRDRAOQ-UHFFFAOYSA-N 383.426 -1.297 30 20 GAED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349501536 UKZSIJBPGSVEEK-GHMZBOCLSA-N 387.505 -1.343 30 20 GAED C[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)S(N)(=O)=O 544863914 INERHSLEKFUHBY-LLVKDONJSA-N 380.430 -1.605 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCNC(=O)[C@H]1CC(=O)OC)c1cc[nH]n1 770823206 HPYDBJFYHPADBS-LLVKDONJSA-N 395.372 -1.416 30 20 GAED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 808283489 KUSHGSYOPRWBEF-GFCCVEGCSA-N 384.501 -1.526 30 20 GAED N#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1108482225 XHILBOTZQQGVGN-NOOOWODRSA-N 383.430 -2.943 30 20 GAED N#Cc1ccc(CNC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1116428841 YWCIRUAWTZCDFM-IAGOWNOFSA-N 392.481 -1.050 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCN1C1CC1 1331947087 UMNBSROIHISEGQ-MRXNPFEDSA-N 388.472 -1.392 30 20 GAED CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1332037207 MQIFJAKPISHYPS-HNNXBMFYSA-N 376.461 -1.535 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1793344095 HTOGHXRZEUXOSL-SSZWKKLZSA-N 397.428 -1.321 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800193987 GPWRWYZVDVONHI-ZXFNITATSA-N 388.424 -1.129 30 20 GAED CCS(=O)(=O)NCCN/C(=N/C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261695062 FNOXWSDLPWERHO-OAHLLOKOSA-N 388.494 -1.189 30 20 GAED CN(CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 298743396 ZHYBHCQUMIPLPD-UHFFFAOYSA-N 379.442 -1.192 30 20 GAED COC(=O)[C@@H]1CNC(=O)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 569460580 XCDPPYYBYCPIKI-LBPRGKRZSA-N 380.382 -1.663 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 786888292 IXMKRQVRSFTCDV-UHFFFAOYSA-N 384.440 -1.475 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1111151785 JNCAPMKLCZWKOP-MCIONIFRSA-N 375.429 -1.050 30 20 GAED C#CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC 1609019722 DIFMHDBACLKVCV-LBPRGKRZSA-N 392.397 -1.174 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1839108220 FWMMVULMULRBLT-IBGZPJMESA-N 390.484 -1.144 30 20 GAED O=C(CN1CCOCC1)N1CCN(/C(O)=N/CCN2C(=O)CCC2=O)CC1 329320741 FBVCBVJZSAEGPN-UHFFFAOYSA-N 381.433 -1.474 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)c1 595988086 NZHNQGKVALJWRM-LSDHHAIUSA-N 397.439 -1.628 30 20 GAED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CNc1ccc(C#N)cn1 597640732 LXNVYYBDEGRJQN-CYBMUJFWSA-N 375.385 -0.728 30 20 GAED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)nn1 1326507111 VBPMDNIUOMSYRW-ZDUSSCGKSA-N 389.416 -1.058 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)CC1 1588429843 FDLBIENBFXOZDB-UHFFFAOYSA-N 385.442 -1.840 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778937953 NOLSRWJXWMJCTR-GOSISDBHSA-N 390.444 -1.026 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063562 WUHRFFKIZDJSOR-KXBFYZLASA-N 378.473 -1.199 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797233711 BVNYFHGRHILOSK-BMFAXAFESA-N 392.500 -1.138 30 20 GAED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1833093553 ADWQDRHVHBUBRL-SFHVURJKSA-N 390.396 -1.264 30 20 GAED CN1CCN(C(=O)CC/N=C(/O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 328740410 NBEKYWXXVFCBHS-CYBMUJFWSA-N 375.495 -1.064 30 20 GAED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C(N)=O)CC1 349555219 TZCMZSRCDMVCAQ-SNVBAGLBSA-N 396.516 -1.415 30 20 GAED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 409482873 HCYIFEJYMLNOJY-GFCCVEGCSA-N 376.435 -1.153 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)CCO1 409522819 YSZVXEWGLVPNLP-LLVKDONJSA-N 375.432 -1.581 30 20 GAED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 563431289 YGNRDHIECOGAJP-NSHDSACASA-N 393.491 -1.363 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 1025088559 DYJSQSRUELUXHQ-TUVASFSCSA-N 393.444 -1.441 30 20 GAED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326263858 OABFMALDJDLYLF-KDOFPFPSSA-N 377.445 -1.372 30 20 GAED C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCOCC1 1341164300 SFIDGJUBEZNVFU-ZGTROFRASA-N 393.444 -1.287 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004793 MJPJJXWQHSRNNB-OLZOCXBDSA-N 376.417 -1.044 30 20 GAED C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354033 DPVHIMCGSXIQTL-JTQLQIEISA-N 384.400 -1.089 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnn3)C[C@@H]21 1791077759 IBPOODCQZIYHIA-IHRRRGAJSA-N 388.380 -1.077 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831402050 MEJIKJITIBYKPV-RDTXWAMCSA-N 381.429 -1.383 30 20 GAED NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527601 QSSNXLNEJWJGEN-XBGDJPNVSA-N 384.433 -1.070 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1840844145 GFOURLUKGJNPQB-SFHVURJKSA-N 395.412 -1.601 30 20 GAED N#CCNC(=O)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 508942806 QBQDCDLVZKJXQP-QWHCGFSZSA-N 399.407 -1.222 30 20 GAED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(N)=O 533579515 WVAUYWFNVNFXDK-UHFFFAOYSA-N 388.453 -1.359 30 20 GAED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 615633115 TXZATAGVVWQPNE-INIZCTEOSA-N 379.396 -1.036 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1 728531147 DHYNYSPVAKQRRD-OAHLLOKOSA-N 377.445 -1.993 30 20 GAED C#CCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 748105381 XKDYPKFUHYSQRF-UHFFFAOYSA-N 386.474 -1.181 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1O 1023960393 JEQZQLQDKQWNKM-OXHZDVMGSA-N 392.416 -1.954 30 20 GAED C=C(CNC(=O)[C@@H]1CCCS1(=O)=O)CNC(=O)[C@H]1CCCS1(=O)=O 1261756427 IRGQOBCMKIDWTQ-TXEJJXNPSA-N 378.472 -1.071 30 20 GAED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1324820825 ABQFKHITALFBGM-KBPBESRZSA-N 389.474 -1.138 30 20 GAED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1332851018 WWKGLOYLMWBACZ-KRWDZBQOSA-N 385.472 -1.036 30 20 GAED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579008435 VNUUWHLMYMTCTI-MRVPVSSYSA-N 377.390 -1.732 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832692059 AHHYFSLBVUIKND-SJKOYZFVSA-N 393.400 -1.655 30 20 GAED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835629044 LQSRFJYSYICHDG-KRWDZBQOSA-N 392.368 -1.277 30 20 GAED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)C1 443222780 FRROUUFOVMQAHM-UHFFFAOYSA-N 392.459 -2.043 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@H]1C 940383627 QKTGWAYODHVTHB-LPWJVIDDSA-N 392.412 -1.039 30 20 GAED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cn1 1320852117 PVCHLPKYKPDWQK-UHFFFAOYSA-N 384.421 -1.526 30 20 GAED C#CCSCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1323793547 COFQZTURVMMSIN-UHFFFAOYSA-N 394.457 -2.042 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)nn1 1328107279 LQYRSNCHBFRYJV-UHFFFAOYSA-N 389.416 -1.970 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1 1573285705 LMHDVYZMXGLEAI-ZDUSSCGKSA-N 385.432 -1.013 30 20 GAED C=CCOC[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)O 1602909710 FATGEOHANCJDTE-SNVBAGLBSA-N 379.373 -1.404 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)CC1 1783257761 VNWLQYFGFAZRJJ-GOSISDBHSA-N 380.445 -1.593 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)CC1 1795408077 MYAYXROKWAGAPT-LSCVPOLPSA-N 375.385 -1.522 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831391059 FHXXXYFETGVXSY-KHYOSLBOSA-N 393.440 -1.240 30 20 GAED N#Cc1ccc(C(=O)NCC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 267240139 QMJYSJIHSMTAHT-UHFFFAOYSA-N 379.442 -1.279 30 20 GAED O=C1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)CCN1 816756829 GATDUUQGMPDCMD-CYBMUJFWSA-N 396.425 -1.083 30 20 GAED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCNc1ncccc1C#N 826977760 NVNOGFJVMWXYAI-NEPJUHHUSA-N 381.414 -1.590 30 20 GAED C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1042673983 AJOXJYVSWUYNIJ-HEHGZKQESA-N 379.413 -2.133 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H]1CCCO1 1320691053 MUANXKHUZPUVMR-UONOGXRCSA-N 389.412 -1.023 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)CC1 1786800535 FJQWDDYIZXGICW-XUXIUFHCSA-N 377.445 -1.137 30 20 GAED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nn1C 1798760232 MNWMSBWRMFBUFJ-CULMDFNYSA-N 376.369 -1.280 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN(CCO)CCO)CCC1 1800582322 YNZCNHFQFJKLAG-SCAQPMJSSA-N 394.472 -1.444 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 263688950 KTDWSNYUSMODJK-UHFFFAOYSA-N 393.425 -1.355 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(CCOC)c2)CC1 269741236 VUZPFSGLHNWHIQ-UHFFFAOYSA-N 383.474 -1.025 30 20 GAED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 537151606 VTJHTTUKNAAVLS-UHFFFAOYSA-N 399.415 -1.298 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 728570984 RJGKOAUXXUIPMD-MRXNPFEDSA-N 377.489 -1.129 30 20 GAED C#CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 819702431 ZEJPBWWYWPCDNG-SNVBAGLBSA-N 392.397 -1.174 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2O)nn1 964277868 HYSVZDPNRVKCGZ-LUYZLQTOSA-N 392.460 -1.125 30 20 GAED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 995445013 JBWZNBQJMFIEGM-RQJABVFESA-N 379.438 -1.642 30 20 GAED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(N)=O 1321872920 OYTVLRAAFJFBBI-UHFFFAOYSA-N 386.437 -1.758 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1343082612 ZQXUQQPILUEMFR-ZIAGYGMSSA-N 389.474 -1.043 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C(=O)O)c1 1601111793 IANAZZWHNDHUDG-SNVBAGLBSA-N 378.366 -1.412 30 20 GAED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786804719 VFZLTHLKCXNPJK-IHRRRGAJSA-N 393.492 -1.269 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1830056320 SMXZGZDNZYYUDO-UGSOOPFHSA-N 395.460 -1.415 30 20 GAED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1834087626 ORIHUTDSEYDJGC-GOSISDBHSA-N 388.380 -1.057 30 20 GAED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n(C)n1 1840041515 RKKQDDPRGIKQPX-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C=CCN1CC[C@@H](N(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1=O 329524764 QOUYKWYXVVTONN-GFCCVEGCSA-N 380.492 -1.473 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCS2(=O)=O)C1 1024209565 QQKMLUXNZZDIEU-SYQHCUMBSA-N 387.458 -1.699 30 20 GAED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCO1 1065396873 OUBDUWWJMFHECU-LNORHHCFSA-N 375.425 -1.107 30 20 GAED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C1 1345991312 SZFOOLVXRYKEDX-VXGBXAGGSA-N 381.385 -1.326 30 20 GAED C#CCNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353526 VZCOFWYEHVYIGQ-APPDUMDISA-N 386.416 -1.501 30 20 GAED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1770360680 OALXTGHZGGKZAR-GFCCVEGCSA-N 397.461 -1.208 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1792490265 KLSWSOQTOLCYIS-RKBILBCFSA-N 392.456 -1.041 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1831396605 GEZIDBGMKYHGHF-QAPCUYQASA-N 384.429 -1.510 30 20 GAED CN(C)C(=O)CN/C(=N/CCNS(C)(=O)=O)N1CC[C@]2(CCOC2)C1 262302302 NZAQWJCELNDJMN-HNNXBMFYSA-N 375.495 -1.318 30 20 GAED Cc1nc2n(n1)C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC2 349572512 UWPMJNQDVAUSEC-GFCCVEGCSA-N 390.491 -1.004 30 20 GAED CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 946759033 BGPPPFHOEZVQPS-XJFOESAGSA-N 375.385 -1.125 30 20 GAED C#CCO[C@H](C)C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573289026 ZUWLTIMRCVHDST-LLVKDONJSA-N 375.389 -1.216 30 20 GAED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1783908337 ACRWFXZIVHYWKX-IBGZPJMESA-N 381.473 -1.094 30 20 GAED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1840839070 HJEGCNDGGZQIBN-UEOUDEGLSA-N 380.353 -1.438 30 20 GAED C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)N[C@H](C#C)[C@H]1CCCO1)[C@H]1CCCO1 847759487 UZKKTIQYYFLZFW-QKPAOTATSA-N 396.465 -1.005 30 20 GAED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)[nH]1 1116359439 USCFLHHRJZSGLS-ZDUSSCGKSA-N 379.442 -1.053 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)N2CCN(C)CC2)CC1 1520191926 OODPSYUIEQPTDH-HNNXBMFYSA-N 386.522 -1.583 30 20 GAED C#CCCCC(=O)N[C@@H]1CC(=O)N(C2CN(CC(=O)NCc3cnn[nH]3)C2)C1 1574866710 JJTFXGYBIJHLFR-CYBMUJFWSA-N 387.444 -1.374 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1791072709 XCLLMHUHHYCIOT-SRVKXCTJSA-N 392.368 -2.394 30 20 GAED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)cc1 1830385733 RDSKUFVMZDTUDD-LJQANCHMSA-N 389.408 -1.132 30 20 GAED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)C(=O)O 1839702702 HINPFPITWXXWIL-QGZVFWFLSA-N 396.400 -1.710 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1839806541 SIKGJLHJRUWREW-GOSISDBHSA-N 375.381 -1.609 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1847262848 KPNGMLFAGPCNOI-QYPKGILQSA-N 389.412 -1.355 30 20 GAED O=C(C/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1)N1CCOCC1 329239412 QGEYBYGGWWKTIP-UHFFFAOYSA-N 383.449 -1.764 30 20 GAED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 499742707 BAWMPGZDPKSYRS-AWEZNQCLSA-N 389.478 -1.822 30 20 GAED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846978934 OGZQPBHDSBCSNQ-UHFFFAOYSA-N 381.480 -1.412 30 20 GAED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959212 AXZDYJGPRUSBEK-UHFFFAOYSA-N 378.476 -1.154 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)nn1 1261448789 GIKWCNNEWXBDAC-UHFFFAOYSA-N 384.462 -1.037 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588723424 MXBYAJZKXMAYOE-CWSCBRNRSA-N 375.389 -1.007 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1786700526 HTFZUMLBQUTSBE-RVMXOQNASA-N 377.401 -1.132 30 20 GAED COC(=O)CCNC(=O)CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 863161160 YASRMKLWQHWRFW-UHFFFAOYSA-N 396.425 -1.089 30 20 GAED NC(=O)CN1CCC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1318562002 XDGINVXPLZASJP-LLVKDONJSA-N 379.442 -1.209 30 20 GAED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1588354057 OHLQTIFWZICLHL-UHFFFAOYSA-N 378.370 -1.562 30 20 GAED N#CCSCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1606351224 QESKPGMDTBMLML-UHFFFAOYSA-N 376.402 -1.245 30 20 GAED C/N=C(/NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H]1CN2CCN1CC2 261661966 BBTPAAJTRINWQC-QUSNUVHPSA-N 386.500 -1.042 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CC)C(=O)N2CCOCC2)C1=O 288414414 ZKNDCZNQXUGNLD-KBPBESRZSA-N 380.445 -1.015 30 20 GAED CN(CCN)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 423039670 FZRNJNXRZXCZLJ-UHFFFAOYSA-N 379.442 -1.192 30 20 GAED COCCCNC(=O)[C@H](C)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 505604586 BPMFNPFZDIFREQ-ZDUSSCGKSA-N 392.460 -1.381 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 848958900 LQICYHVBOAHAJN-CYBMUJFWSA-N 390.487 -1.343 30 20 GAED C#CCN=c1nc(N(C)Cc2cn(C)nn2)[nH]c(N(C)Cc2cn(C)nn2)n1 853860749 NZYHCBFRLPQVKV-UHFFFAOYSA-N 382.436 -1.132 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1O 964490579 WMAJPQGHWLIEID-OXIQGZBJSA-N 380.401 -1.793 30 20 GAED O=C(NCC#Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CCOCC1 1256943511 GOTUORFBRPAVIW-UHFFFAOYSA-N 379.438 -1.068 30 20 GAED C=CC1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 1344631421 QJOAOENUHPKQLR-UHFFFAOYSA-N 392.456 -1.059 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)nn1 1573341681 OTFNUBIDPFPGDT-ZYHUDNBSSA-N 397.403 -1.196 30 20 GAED Cn1c(N2CCN(c3cnccc3C#N)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553602 VHUPEDKTQWGWLL-UHFFFAOYSA-N 394.399 -1.143 30 20 GAED C#CCNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(CC(=O)OC(C)(C)C)c1=O 1602722297 KWBMEHXUOYDBCF-UHFFFAOYSA-N 389.372 -1.719 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@@H]1O 1757178300 ZWXAWANDVPRQLZ-XFMPKHEZSA-N 389.474 -1.405 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)CC1 1779090807 TWQJHZGBTKCWSB-KSSFIOAISA-N 378.429 -1.229 30 20 GAED NC(=O)c1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566855 MFLRUHHTFWLJGS-KRWDZBQOSA-N 387.352 -1.893 30 20 GAED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911880 RYUSDDPUHLYUGK-AJNGGQMLSA-N 389.518 -1.429 30 20 GAED CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043915 BLLPENDKMVQYNQ-SFHVURJKSA-N 381.429 -1.129 30 20 GAED CC(C)N(CCCNC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)S(C)(=O)=O 270561311 JUAUWAMVVQKGDA-UHFFFAOYSA-N 385.446 -1.405 30 20 GAED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 275770320 VYXNHNFSKHPXGV-PGSLAOOBSA-N 398.441 -1.093 30 20 GAED Cn1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 329153433 BPGUYMSWJWAVFA-UHFFFAOYSA-N 390.425 -1.013 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)N(CC)CC)CC2)CC1 748815115 JSZHXTIFKSDVSA-UHFFFAOYSA-N 385.534 -1.032 30 20 GAED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1188604450 ZDBTVHODNGEVHZ-YJNKXOJESA-N 377.445 -1.028 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)nn1 1261449327 YMFXZSSPDOROCU-CYBMUJFWSA-N 389.460 -1.108 30 20 GAED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 1261581356 OKLRNJMDGHXQAP-UHFFFAOYSA-N 383.434 -1.314 30 20 GAED C=C(CNC(=O)[C@@H]1CN2CCN1C[C@@H]2C)CNC(=O)[C@@H]1CN2CCN1C[C@H]2C 1263864720 MAURTSHPWHIOHE-MHORFTMASA-N 390.532 -1.448 30 20 GAED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262374 NIIGVVZYNPNUSK-IBGZPJMESA-N 381.473 -1.094 30 20 GAED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558839 ZXEHKIIDIJSUSN-WBMJQRKESA-N 386.426 -1.415 30 20 GAED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793947550 TYUSHCXLIXOMRQ-ZWUHOBOKSA-N 376.413 -1.022 30 20 GAED N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836938 CGIHUTKAPXFCPK-APBAFYQPSA-N 376.417 -1.229 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799137537 UMXMSUJKBMLIGH-REBHVZSLSA-N 392.456 -1.843 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807616626 CJAGEJNQFRUFSU-GUYCJALGSA-N 383.368 -1.138 30 20 GAED C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)CCC#N 728920162 BUIYAPCFUWTANI-JTQLQIEISA-N 376.373 -1.263 30 20 GAED COC(=O)CNC(=O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 848011140 GMIKFYOXQQFTTO-SNVBAGLBSA-N 396.425 -1.091 30 20 GAED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)CC1 1303632438 YWGOHYKCCUMHMR-UHFFFAOYSA-N 386.455 -1.171 30 20 GAED CN(C)C(=O)CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1319479788 QTPWIAKTAPTTHC-FOCLMDBBSA-N 378.433 -1.072 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 1324337322 GLFPMCPMVQVFRE-CQSZACIVSA-N 398.485 -1.485 30 20 GAED C#CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573285764 NBKXNANTNSSDFT-BXUZGUMPSA-N 386.416 -1.237 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839811624 FPVQGILZPKKMNR-MRXNPFEDSA-N 397.478 -1.064 30 20 GAED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840159769 NBMFYMHYLDSEQA-LRDDRELGSA-N 385.490 -1.399 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1840840152 BWSBWDPJNZFJFX-SFHVURJKSA-N 392.412 -1.592 30 20 GAED CNC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C1 349500637 TWQWBKDORSGLJK-LLVKDONJSA-N 381.480 -1.505 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)CC1 761036541 HFLFSWRMRPKNFO-LBPRGKRZSA-N 399.473 -1.410 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)[C@@H]1CCCO1 842164154 RSLSYKUDLUCSAT-JYJNAYRXSA-N 376.457 -1.046 30 20 GAED C#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc[nH]n2)CC1 848969098 YSTRSDROVAIPMP-UHFFFAOYSA-N 390.491 -1.093 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1058842710 SZQXPBHPUDCHKO-XQLPTFJDSA-N 383.445 -1.062 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1093053428 YGHYEORCLPIWMY-WZRBSPASSA-N 379.446 -1.030 30 20 GAED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1194881330 PYSLIGZZTRRGRJ-TVFCKZIOSA-N 381.473 -1.323 30 20 GAED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCO1 1324665590 CGGWZCNXVLXJTE-YESZJQIVSA-N 378.473 -1.194 30 20 GAED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797902535 YSLHQAVRZRJSMF-NFFDBFGFSA-N 375.385 -1.408 30 20 GAED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797971766 RVHMPWRJKKBYJG-ZWUHOBOKSA-N 381.385 -2.185 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C(O)O)CCO2)C1 1830392638 NDYQSSLXZJHJOY-KRWDZBQOSA-N 384.433 -1.965 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831394170 YNGPHRHWQOXSDX-CRAIPNDOSA-N 391.428 -1.227 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1835355028 PIAHTIXXEDNGHR-KRWDZBQOSA-N 393.400 -1.702 30 20 GAED C/N=C(/NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCN(C(C)(C)C(N)=O)CC1 261676888 HHOZDPUIHIMZJR-CYBMUJFWSA-N 388.538 -1.275 30 20 GAED N#Cc1ncccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 277044980 PPVJWPZNWVJBGH-OLZOCXBDSA-N 386.455 -1.271 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)S(N)(=O)=O 542877029 JYTPKBIMYORPSW-MNOVXSKESA-N 395.445 -1.821 30 20 GAED C#CCNC(=O)C1CCN(CC(=O)c2c(O)nc(=O)n(CCOC)c2N)CC1 747819995 GGIXDZNEXMRWKA-UHFFFAOYSA-N 391.428 -1.178 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC)CC(=O)NC(C)C)CC1 761022597 ARCKUYLOXDXDSL-UHFFFAOYSA-N 387.506 -1.555 30 20 GAED N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 1054787886 DXPLDEBAPXDYFP-CBBWQLFWSA-N 389.437 -1.111 30 20 GAED COCCNC(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318846481 TXUNWNMQHUFQDX-ZCXUNETKSA-N 393.444 -1.190 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1CC1 1325110198 ZMKZELLKEXQDDH-UHFFFAOYSA-N 399.517 -1.200 30 20 GAED C#CCNC(=O)CN[C@H](CO)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575004995 RKJHVGJHPIDXSA-HNNXBMFYSA-N 377.449 -2.167 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1839807174 VYHWFUWSIRVTQZ-CQSZACIVSA-N 375.318 -2.199 30 20 GAED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2COC[C@H]2O)c1 349532538 COZNBSREKDWEDM-VXGBXAGGSA-N 390.443 -1.236 30 20 GAED CN(CC(=O)N1CCN(C(=O)CO)CC1)S(=O)(=O)c1ccc(C#N)cc1 495729869 SPQLGNGTWKROBR-UHFFFAOYSA-N 380.426 -1.158 30 20 GAED CN1CCN(C(=O)CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1318455196 OAODFJCEKRXEGN-NXVVXOECSA-N 378.433 -1.024 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103904 DMBSAEYNVGXWKB-KHRRLYJUSA-N 383.449 -1.369 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)CCC1 1801984113 GHHOQXWIZJRPCP-QKPAOTATSA-N 392.456 -1.080 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1832488314 XDLTYELPDJKTKR-KRWDZBQOSA-N 399.469 -2.194 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)c1 1839194337 HVAGKYZQVNFSFY-SFHVURJKSA-N 392.412 -1.035 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2)C1 1839806479 QKTBBDRRHVUDIU-CJNGLKHVSA-N 387.458 -1.596 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1cc[nH]n1 276586388 MIXLJVTYTKKZLR-DLPJZNJTSA-N 387.418 -1.156 30 20 GAED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595976857 BPHZKHUVFOAHID-BMLIUANNSA-N 390.400 -1.186 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1025095364 WIYUSRSQRDCQCS-YFCNSXCBSA-N 380.401 -1.793 30 20 GAED N#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1130237853 GQIUHOOLGMYIPL-YFKTTZPYSA-N 377.405 -1.561 30 20 GAED CC1(C)CNC(=O)CN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349491932 JUATUVMECQEVPM-UHFFFAOYSA-N 378.476 -1.108 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)C1=O 424501600 FLEVKNXFERCRRZ-QWRGUYRKSA-N 387.414 -2.058 30 20 GAED NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@H]3CCN(O)C3=O)CC2=O)c1 820178773 ATJASXVJZWAGCN-CABZTGNLSA-N 382.398 -1.207 30 20 GAED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 1130007565 KXBJMONPNLVCGQ-CBBWQLFWSA-N 376.417 -1.698 30 20 GAED CNC(=O)[C@@H]1CN(c2nc(N3CCO[C@@H](C(=O)NC)C3)ccc2C#N)CCO1 1320781075 AQJXAAJRGKETLG-KGLIPLIRSA-N 388.428 -1.144 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1323748310 NEPCQUHXFSIMMY-UHFFFAOYSA-N 395.503 -1.509 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1 1329131664 XUDNTILXSFPUPP-OLZOCXBDSA-N 385.442 -2.097 30 20 GAED C[C@@H](C(=O)NCc1cnn[nH]1)N1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 1575180001 YJNIJPPWVSOELL-MNOVXSKESA-N 386.420 -1.266 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)CCC1 1835577411 VRYUMUWRJIVHSZ-QGZVFWFLSA-N 378.433 -1.380 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1839173331 KLHXPZSXYMHKOU-QGZVFWFLSA-N 386.401 -1.737 30 20 GAED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043811 VGPCTRLSZVRPNR-UGSOOPFHSA-N 393.396 -1.848 30 20 GAED C#CCN(CC(=O)NC(=O)N[C@@H](C)COC)CC(=O)NC(=O)N[C@@H](C)COC 298430308 NKANVUUUAQGPOP-STQMWFEESA-N 399.448 -1.357 30 20 GAED C[C@]1(C(N)=O)CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349507221 VGGVYLQAGCGVSV-LBPRGKRZSA-N 378.476 -1.121 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCNC3)CC2)cc1 419878576 JOFYUSOHXLPEKB-AWEZNQCLSA-N 391.453 -1.131 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(C(C)=O)CC2)C1=O 726042621 LPLCEDVMKUHQRM-UHFFFAOYSA-N 380.357 -1.803 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cn(-c3ccccc3)nn2)c(=O)n(C)c1=O 755805053 QISVOJYNCHQERG-UHFFFAOYSA-N 389.397 -1.023 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 970815881 ODPUUVKAERCFQG-ZZVYKPCYSA-N 392.412 -2.023 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 1333935813 UQLUISTVIRYTJD-AWEZNQCLSA-N 380.426 -1.027 30 20 GAED CN(C)C(=O)CCN1CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1565586542 XFMZDSLKGIULDQ-UHFFFAOYSA-N 376.417 -1.121 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)CC1 1573282428 JBPCZSONHBYSOL-HUUCEWRRSA-N 397.443 -1.332 30 20 GAED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O 1588505379 PSNWXVJEASXEMX-WQGACYEGSA-N 375.389 -1.177 30 20 GAED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790636357 GCSMEYXDBLFMQZ-BJDJZHNGSA-N 387.458 -1.173 30 20 GAED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1O 1833409463 BKTDIOAOWWLBET-KRWDZBQOSA-N 392.368 -1.716 30 20 GAED CNC(=S)NCCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761189 SQAIKWNCAGLMOF-MRXNPFEDSA-N 383.474 -1.160 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1835364293 PMOMYUOCTUUVQD-GOSISDBHSA-N 390.396 -1.328 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141900 GYDXKRXIVICGOY-INIZCTEOSA-N 377.405 -1.321 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840264601 HYWFMVCUTQUIBG-IBGZPJMESA-N 389.408 -1.219 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)NCC2CCC2)C1=O 68495228 MSRUGQCXXXZHJF-UHFFFAOYSA-N 386.430 -1.201 30 20 GAED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@@H](C)C#N 409537468 MKRRVOMGEDKSGC-NWDGAFQWSA-N 380.492 -1.052 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)C1=O 488289346 FKMZIBBMOBWXAT-UWVGGRQHSA-N 382.373 -1.464 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)CC1 542019316 UUCPFMYILYNORH-UHFFFAOYSA-N 391.519 -1.270 30 20 GAED CS(=O)(=O)N1CC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 777984618 NHLVCZCDZPEVNR-UHFFFAOYSA-N 386.455 -1.267 30 20 GAED C[C@@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)NC1(C#N)CCC1 787599821 JWABAOXPIIZZMS-SNVBAGLBSA-N 388.384 -1.072 30 20 GAED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564831 NJIYXRUBDMCRPU-SJKOYZFVSA-N 380.401 -1.388 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)CCC1 1795639639 LCNFFMQCVWHKBN-XFMPKHEZSA-N 377.445 -1.137 30 20 GAED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777512 XPJGGOZHAVRFSF-QHBPRCKVSA-N 382.442 -1.852 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840326686 RYSQGGCSUCWRDS-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)C1=O 278465959 YRJLNANZAFZSSK-STQMWFEESA-N 383.401 -1.164 30 20 GAED NC(=O)CN1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 363060292 SCRYGKMSPUGWBX-UHFFFAOYSA-N 379.442 -1.255 30 20 GAED C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 808742490 WLLAOGCZXWMAIP-UHFFFAOYSA-N 397.482 -1.188 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 1261180896 MNVCVHDXQRNUCW-UHFFFAOYSA-N 381.476 -1.803 30 20 GAED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1328115893 ITPOSYGSDRZNJE-ZDUSSCGKSA-N 384.396 -1.135 30 20 GAED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1352344960 MBAGDYCRRSCZEF-KGLIPLIRSA-N 383.474 -1.275 30 20 GAED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@@H]2O)cn1 1575032783 LZQSEMMNVDAJSN-CABCVRRESA-N 397.395 -1.811 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCN(O)C1=O 1575409189 DMPQVHXCEKRCQZ-KWQFWETISA-N 395.401 -1.360 30 20 GAED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1 1780333255 VKXIAEDKVIULND-FZKQIMNGSA-N 388.428 -1.077 30 20 GAED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(=O)[nH]c1C 1794312168 GBSGQSYPMAJXBN-JJLQDPRZSA-N 388.380 -1.322 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347788 OPFIUWRSZKAHST-DYVFJYSZSA-N 377.401 -1.087 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839670723 XOVHHUDTQBBXJJ-QGZVFWFLSA-N 376.369 -1.349 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC[C@@H](C(N)=O)C2)c1=O 463280126 RKMIZURLYPAFDG-GFCCVEGCSA-N 377.401 -1.732 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 468657438 FXLIGVGOXIAQFJ-CYBMUJFWSA-N 379.394 -1.027 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)Cc2cc(S(N)(=O)=O)cn2C)CC1 485570437 PXQGPTRZOWTBNR-UHFFFAOYSA-N 383.474 -1.339 30 20 GAED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 594629818 HCRVUUBBJILCIX-CYBMUJFWSA-N 375.428 -1.082 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 601584069 RBLHESVPODQUDF-OAHLLOKOSA-N 376.461 -1.533 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC(=O)C2)c1 805699989 UQCFINCONSHMBI-UHFFFAOYSA-N 379.394 -1.287 30 20 GAED Cn1c(C=NNC(=S)NCCN2CCOCC2)nc2c1c(O)nc(=O)n2C 920360626 SPHXXLNNQNQNLP-UHFFFAOYSA-N 394.461 -1.497 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1c(O)nnc1O 960719203 RRDZPWVRTAZVRW-MROQNXINSA-N 393.400 -1.281 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 1109361375 UKXOKIJDLMLPIV-FZKCQIBNSA-N 376.457 -1.048 30 20 GAED CC(C)S(=O)(=O)CC(=O)NCC#CCNC(=O)CS(=O)(=O)C(C)C 1337727845 JPCBISWSTOEFGH-UHFFFAOYSA-N 380.488 -1.131 30 20 GAED Cn1c(=O)[nH]c(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-c2nn[nH]n2)c1=O 1581748021 MZFXGLGUJCTFMM-CPFSXVBKSA-N 378.374 -2.372 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793941928 PDNWDISWWMLEFQ-WHPHWUKISA-N 392.412 -1.788 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835193827 OSBXAUZLCFNRLW-SFHVURJKSA-N 380.397 -1.043 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)nn1 424536878 BUADKVFXOMTQDD-CQSZACIVSA-N 389.460 -1.249 30 20 GAED C#CCNC(=O)COC(=O)/C=C(/Br)C(=O)OCC(=O)NCC#C 764576173 MICOCATYYRASLN-JXMROGBWSA-N 385.170 -1.150 30 20 GAED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 793741901 GPUZNPGQTLIPTL-ZIAGYGMSSA-N 386.474 -2.023 30 20 GAED CS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1327769747 NQZNDIUZKJYEIV-CQSZACIVSA-N 392.437 -1.064 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCS(=O)(=O)NC)C[C@H]1O 1757036472 OKOXQHLKBKRYRY-LPWJVIDDSA-N 375.447 -1.795 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835541778 CSXCBWLHIGHVMY-OAHLLOKOSA-N 391.361 -1.256 30 20 GAED C=C(C)COCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1117110978 BYZDBQGKOVQQFK-UHFFFAOYSA-N 376.479 -1.611 30 20 GAED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1299296383 NNZQXKWDKXBTCM-GFCCVEGCSA-N 397.461 -1.208 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784485883 RRJKJTLYJKCKHK-OSFYFWSMSA-N 376.413 -1.120 30 20 GAED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795732072 AKWSTVJLTMKAQR-XHSYRHOGSA-N 392.441 -1.061 30 20 GAED C#CCNC(=O)CCN1CCN(CCC(=O)NCC#C)[C@@H](C(=O)N(C)C)C1 293796078 MYRVWDAWPIATQW-MRXNPFEDSA-N 375.473 -1.660 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C 349462003 RVTBXPGLXHJLEV-WDEREUQCSA-N 387.505 -1.343 30 20 GAED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 460814342 JLIBXDWAMQBIPV-ZDUSSCGKSA-N 397.395 -0.641 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O 544825965 ONCBOGRPXFLMLJ-JTQLQIEISA-N 390.356 -1.185 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CS(C)(=O)=O)C2)c1=O 793701538 VLAFUURRFIOUQU-CYBMUJFWSA-N 384.458 -1.132 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 1024863371 AGGKHKFSIMYMHP-XNDJQWLSSA-N 379.373 -1.435 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 1323712346 KGWUBRWPIXMTGD-GFCCVEGCSA-N 396.487 -1.635 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573287953 QSLUZRMDUAIAPE-APPDUMDISA-N 387.400 -1.074 30 20 GAED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797759777 JDAKJKXABQLZRN-QHBPRCKVSA-N 382.442 -1.852 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797801581 VCAFJHMQTRQCIN-HLPPOEQASA-N 380.445 -1.224 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831397559 SKEHUJQNUVZEGF-DRMAHVMPSA-N 395.456 -1.796 30 20 GAED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1833817454 RWIOMMISJBPLMY-SFHVURJKSA-N 388.380 -1.057 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(CCC)n2N)CC1 813438822 CGDNDZATJNUARD-UHFFFAOYSA-N 379.490 -1.070 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 892838588 OWAZDCMAEXCWAG-LSDHHAIUSA-N 387.506 -1.110 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1196145655 MDGUCUABPPVTTA-YIYPIFLZSA-N 381.433 -2.057 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1C 1602722148 CWIMKRDAFARATB-GWCFXTLKSA-N 384.400 -1.089 30 20 GAED O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN1 1831221633 VCYRKLOHRJUXTJ-HNAYVOBHSA-N 375.425 -1.008 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCOCC2)CC1 349476161 ONAKQDKVODTXQA-UHFFFAOYSA-N 394.519 -1.054 30 20 GAED CS(=O)(=O)NC(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 843865766 ONVCMPKHRMQBPR-UHFFFAOYSA-N 388.427 -1.581 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 1116420410 XKVWIPFQGPMVBF-UHFFFAOYSA-N 379.442 -1.374 30 20 GAED CC[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)N1CCOCC1 1332466345 PWEVBQSHNIMWJV-GJZGRUSLSA-N 377.445 -1.061 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1829765395 VFNQZFFXTOWRFX-XDXAGZTOSA-N 379.413 -1.110 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835736272 PPQZLUBXINARMS-KXBFYZLASA-N 392.456 -1.551 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 265845860 AVPTVPGDVUAFST-MRXNPFEDSA-N 377.489 -1.320 30 20 GAED Cc1cc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ncc1C#N 594290082 GYYSAZXUSJZVOL-UHFFFAOYSA-N 394.457 -1.106 30 20 GAED CCNC(=O)CN1CCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1 770824750 RTVZEZAJNKIGCL-UHFFFAOYSA-N 394.432 -1.026 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1=O 799144642 INHQJPYHOXCJRP-OLZOCXBDSA-N 377.401 -1.069 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1323712886 MFISOKQRNPOGHI-LLVKDONJSA-N 386.430 -1.802 30 20 GAED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 1602864094 WIVPZBFUGYSQDW-UHFFFAOYSA-N 392.445 -1.130 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793344485 QFLKUBBENQVPQW-RNGZQALNSA-N 395.456 -1.735 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801008010 LAIVQXWNTJBZNB-ZWUPXRALSA-N 382.369 -1.720 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567191 CIDPFOSFYKYGQI-DYVFJYSZSA-N 383.449 -1.483 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1836489038 RUMNBVLHNJKXBA-FXAWDEMLSA-N 386.452 -1.220 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781210 ISZFBGNFEHFAOK-BBRMVZONSA-N 385.442 -1.066 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1840841754 ULPXFDAGVFMVCV-KDOFPFPSSA-N 380.445 -1.551 30 20 GAED CC/N=C(/NCCN1C(=O)CNC1=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261735243 JWOGHRLDHCBDMM-QGZVFWFLSA-N 393.448 -1.186 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC2)c1C#N 596614572 TYRVCSLNLFZVCM-UHFFFAOYSA-N 398.493 -1.172 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(=O)OC)C1=O 833375863 IEPZGUROFOSNDA-VHSXEESVSA-N 381.341 -1.172 30 20 GAED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 1130009538 UXPPHTVIBAPPFB-RQJABVFESA-N 388.432 -1.839 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1258346460 JLLGBNIFKQYCOQ-HNNXBMFYSA-N 393.469 -1.112 30 20 GAED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1588330827 KUMBQOVTUVHWKY-CYBMUJFWSA-N 396.411 -1.229 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031964 GFEUFDHVAYXCDQ-RHYQMDGZSA-N 384.458 -1.164 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835748947 BLUQURUUTIFTHW-YVEFUNNKSA-N 396.400 -2.876 30 20 GAED C[C@@H](CN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 420030179 PLDOGNLEVAEEFI-LBPRGKRZSA-N 379.442 -1.145 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1 772692820 CBTDLBNXNPHUES-MRXNPFEDSA-N 384.502 -1.060 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCn1c(O)nnc1O 1109468709 NWFQMXZTVIQUMK-AGIUHOORSA-N 376.417 -1.060 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1129054896 OQNYPSVHRPWYHK-FQLMCAECSA-N 376.417 -1.827 30 20 GAED C#CCNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286121 UNDZFCKUPSXAOU-NWDGAFQWSA-N 386.416 -1.237 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1593330643 NDJXKUGDWILEGE-MFKMUULPSA-N 394.409 -1.021 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1783562634 MYCGZPYOLPNCIR-SFHVURJKSA-N 389.364 -1.073 30 20 GAED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)n1cncn1 1791078171 WJTFTOYQHBWYQU-RFGFWPKPSA-N 375.385 -1.093 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1792629434 WGONWGRJASPELC-GNXNZQSNSA-N 377.401 -1.322 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)CCC1 1793835182 FWWMQEDUSSQVGK-JJLQDPRZSA-N 389.412 -1.178 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1ccnc1 1830985841 SCRKIZUHXQHAAE-RDTXWAMCSA-N 390.396 -1.012 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835313669 ONTJIMVTNDKWSQ-QMTMVMCOSA-N 393.440 -1.240 30 20 GAED COC(=O)C[C@@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@H]1CC(=O)OC 276358807 YCRUNSKYECBAMW-ZIAGYGMSSA-N 394.428 -2.283 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 541016916 BMRVMUNHOJZKPK-NSHDSACASA-N 375.451 -2.774 30 20 GAED Cn1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(=O)n(C)c1=O 569423559 PAXFGNGDGYYIKO-UHFFFAOYSA-N 390.425 -1.138 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 728590270 ZMGAXKRPRVHECQ-UHFFFAOYSA-N 383.430 -2.860 30 20 GAED C=CCNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 823919300 BOSPSRYGQKGFIP-SNVBAGLBSA-N 393.429 -1.048 30 20 GAED N#C[C@H]1CN(C(=O)CCN2CCOCC2)CCN1C(=O)CCN1CCOCC1 912536301 SQGOWTPAGIUIGK-KRWDZBQOSA-N 393.488 -1.006 30 20 GAED C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 918816967 DOUWOCGCBAVYHU-NSHDSACASA-N 396.425 -1.027 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 970582643 NIVQYDIXVWWFAA-NDBYEHHHSA-N 380.401 -1.793 30 20 GAED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 1588660121 WRIFJLWQZCGEAH-UHFFFAOYSA-N 392.445 -1.130 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784407472 SZCSEVXRTUHZFA-VMPYYGSESA-N 392.456 -1.039 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793282817 KOHORJAAVBJSDU-BBHUDJRVSA-N 378.429 -1.430 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793355289 CDDIYWFFTPQXKM-HAFSJTIUSA-N 382.461 -1.240 30 20 GAED NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797818449 NMYCCRJKNHZVTO-YNCOYUFCSA-N 397.432 -1.227 30 20 GAED NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835550074 YZLZTLVKCIHLKU-GRPSYMLLSA-N 384.433 -1.070 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840042336 NYUCRLXAGMNYLC-MRXNPFEDSA-N 378.341 -2.593 30 20 GAED Cn1ncc2c(N3CCN(S(=O)(=O)N4CCO[C@H](C#N)C4)CC3)ncnc21 409542908 JGJCNOIXXYFYAY-GFCCVEGCSA-N 392.445 -1.046 30 20 GAED C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 578643332 WABNPZPEUJSUGN-LLVKDONJSA-N 377.444 -1.148 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 761029956 ACOYJBBVDKIPBX-UHFFFAOYSA-N 397.501 -1.848 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913374759 FGQZPIGAXXZYQF-UHFFFAOYSA-N 375.341 -1.199 30 20 GAED N#CCCN(CCC#N)C(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1340939240 DZYHRAXWMFPRAU-CABCVRRESA-N 383.474 -1.270 30 20 GAED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076636 BOVQIOLQJUDQGD-RFGFWPKPSA-N 377.397 -1.255 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1834757961 CPRKSNCZUKTHDA-CQSZACIVSA-N 390.333 -1.919 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1834766978 ISPNAVLXVUQJIK-BBRMVZONSA-N 385.442 -1.066 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837515465 VPPYVQGITJETGY-RDJZCZTQSA-N 382.417 -1.993 30 20 GAED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040310 ULNKFGDMQKYVOQ-RDTXWAMCSA-N 395.412 -1.555 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CCN(C(=O)[C@@H](C)O)CC1)c1cc[nH]n1 276618060 QLFHSLJMZDVCBO-NUSFMGPTSA-N 381.389 -1.255 30 20 GAED CN1C[C@H](/N=C(/O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O 330151381 WEABWAPDPYUVGT-GFCCVEGCSA-N 375.451 -1.674 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)O)C1=O 833376330 SJFRZOZFJONHDS-GAIPPQHRSA-N 393.352 -1.174 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1=O 960530971 DDLKNFFCCORRHC-FXUDXRNXSA-N 393.440 -1.126 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@H]2O)nn1 963309297 ALQBYPBOFAVQHZ-CZXHOFHRSA-N 376.417 -1.510 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1323998117 UZTGTBFHXIUVCH-LLVKDONJSA-N 381.476 -1.756 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1782013497 OKZLITKRQVUAGS-FZKQIMNGSA-N 388.380 -1.015 30 20 GAED O=C(Nc1ccccc1)O/N=C(\O)[C@@H]1NC(=O)C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O 98177491 GSEOMVWYOAZDSI-GWOFURMSSA-N 383.313 -1.769 30 20 GAED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 267406598 KIFJMJRJLYPBMW-UHFFFAOYSA-N 395.441 -1.062 30 20 GAED CCOC(=O)CNC(=O)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 269418120 YOALUKAKJMNBKJ-UHFFFAOYSA-N 377.401 -1.149 30 20 GAED CNC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 517588996 XDOPEIPPNQKXIR-LLVKDONJSA-N 395.507 -1.069 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCO1 603417575 JEDRIQZUCLNUTI-HOTGVXAUSA-N 387.506 -1.158 30 20 GAED CCOC(=O)CON=C(C(=O)N1CC[C@@H](S(=O)(=O)NC)C1)c1cc[nH]n1 772434062 ZWUSKCLRVLZHFG-SNVBAGLBSA-N 387.418 -1.156 30 20 GAED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCOC[C@@H]1CCCO1 1322678412 JWDOCRARGZYUEQ-VCHHOEMESA-N 380.401 -1.059 30 20 GAED N#Cc1c[nH]c(C(=O)N[C@H](CO)CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)c1 1577712436 MUQNUDJUWQJTGW-ZFWWWQNUSA-N 386.416 -1.124 30 20 GAED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1577874430 UJKCMQYGULBRCY-JTQLQIEISA-N 390.404 -1.501 30 20 GAED C=CCn1cc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588711553 RRPMNJVTMXBVCG-JTQLQIEISA-N 385.392 -1.599 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783567163 RRGLSQMAPCVSAR-OAHLLOKOSA-N 377.313 -1.151 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807713240 XYOAULRJQBLUKX-LLDVTBCESA-N 386.408 -1.102 30 20 GAED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2c(O)nnc2C1 349487376 CILRJKMSUFYBOM-JTQLQIEISA-N 392.463 -1.259 30 20 GAED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588127981 WEJDZICIVYVGEI-CQSZACIVSA-N 390.488 -1.098 30 20 GAED COC(=O)CCNC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600605641 PLMWRZZCPILSSO-UHFFFAOYSA-N 394.384 -1.097 30 20 GAED C=C(CNC(=O)Cn1nc(C)n(C)c1=O)CNC(=O)Cn1nc(C)n(C)c1=O 620748282 PUBNXAVMXZKIRO-UHFFFAOYSA-N 392.420 -2.417 30 20 GAED C#CCSCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1324945760 UUAWGQSHVCVTAB-UHFFFAOYSA-N 376.504 -1.838 30 20 GAED C#CCNC(=O)CN1CC[C@](O)(CNC(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1575004205 BBYXBUSNURYLCJ-SFHVURJKSA-N 383.412 -1.217 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1778969268 HGHFCYCFARAPEK-CKFHNAJUSA-N 396.488 -1.018 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782961668 QNXAEYQTODVFNN-WBMJQRKESA-N 384.410 -1.519 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1783567428 OVKMJJWBWWVPRW-HNNXBMFYSA-N 379.398 -1.185 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797583565 GFSKOMKSWGSLLK-HAFSJTIUSA-N 397.428 -1.321 30 20 GAED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1836065467 ZFGDAUZYQSRKIS-GOSISDBHSA-N 390.396 -1.493 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781212 ISZFBGNFEHFAOK-CZUORRHYSA-N 385.442 -1.066 30 20 GAED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1O 1840041065 NVSKCWDPCQMNIN-KRWDZBQOSA-N 392.368 -1.716 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861353 RIBJKQRUFTXEPF-QMMMGPOBSA-N 386.386 -1.201 30 20 GAED C#CCN=c1nc(N2C[C@H](C)O[C@H](CO)C2)[nH]c(N2C[C@H](C)O[C@H](CO)C2)n1 804646014 KMIHVXVTVNYYET-AJNGGQMLSA-N 392.460 -1.489 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCN(CC(C)(C)O)CC2)c(=O)n(C)c1=O 814224512 IOAXJRDOHKGUNL-UHFFFAOYSA-N 387.462 -1.415 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)nn1 1023922080 NTRIANTWVWZXJU-RUZUBIRVSA-N 392.416 -1.811 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1196206952 JDWSJOCXVZPJSP-UMSGYPCISA-N 381.433 -2.116 30 20 GAED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1328115890 ITPOSYGSDRZNJE-CYBMUJFWSA-N 384.396 -1.135 30 20 GAED C#CCN1CCC[C@@H](NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 1330935871 SZHGQOKZCHALCN-CQSZACIVSA-N 389.460 -1.244 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1792485761 QMCBGISJDYZGQB-ZMOQGBSYSA-N 390.440 -1.287 30 20 GAED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793260226 JVEMRLAZYZKLFU-MVJTYMMSSA-N 377.441 -1.360 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831390976 BPPLCZIUPVEUNK-RDTXWAMCSA-N 391.428 -1.077 30 20 GAED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040145 QPEFZUDTAUHGMH-FZKQIMNGSA-N 395.412 -1.555 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1=O 264158392 SBXGTBJCWIHGGF-UHFFFAOYSA-N 393.444 -1.024 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)c1C#N 472871783 HBIRVXHDLXAPCJ-JTQLQIEISA-N 397.461 -1.958 30 20 GAED Cn1cc(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)cn1 502538064 NZXRZAIROGNOCE-UHFFFAOYSA-N 384.462 -1.227 30 20 GAED COCCN(CCOC)S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 735083874 WYIDGZURFPOXRU-BUHFOSPRSA-N 376.435 -1.058 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 1024120096 FZKNCSJRXBMZOS-SYQHCUMBSA-N 392.412 -2.174 30 20 GAED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 1130009231 DFSKLIVPGBQJRL-CBBWQLFWSA-N 378.433 -1.145 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(C(=O)O)CCOCC2)CC1 1588431467 PTZXREMBBSLKEC-UHFFFAOYSA-N 388.446 -1.337 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795635766 KMNRWUGERLANLV-JAAXMTQOSA-N 397.476 -1.030 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840044498 ZBKVHILDLCFNJG-VNVHMNPZSA-N 378.381 -1.577 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)C1=O 424501602 FLEVKNXFERCRRZ-WDEREUQCSA-N 387.414 -2.058 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 431193253 NVHLJMWZOIJWOM-AWEZNQCLSA-N 391.472 -1.250 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 598024994 CFXLPHGBMKHVNZ-QWHCGFSZSA-N 387.439 -1.235 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@@H]1CCCO1 809307113 YTPRFFDPNIDIJQ-OLZOCXBDSA-N 375.389 -2.359 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 809987820 MPNUSFHKTJCMLM-UHFFFAOYSA-N 380.474 -1.507 30 20 GAED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1325725934 MJQWBAZCONKLSS-JTQLQIEISA-N 392.459 -1.021 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783759956 LPDMMZOBPPMYHH-SFHVURJKSA-N 377.397 -1.083 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(CCO)CCO)C2)C1 1835362050 BZXPMZWXECHLLS-GOSISDBHSA-N 398.460 -1.967 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839809224 UYADOCNUUJJNAC-IBGZPJMESA-N 397.391 -1.207 30 20 GAED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)C2)c1 349541860 WTBAXJUKOCNPFE-UHFFFAOYSA-N 387.443 -1.153 30 20 GAED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C[C@@H](C)O1 603908992 NJEUMMHIRBYOFE-BETUJISGSA-N 397.461 -1.352 30 20 GAED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C)[C@H]1CCCO1 848964336 OZVWUSBONNUXPR-NWDGAFQWSA-N 391.475 -1.531 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@@H]1CCCO1 1117580094 AXUOYFOJIPYZJO-KBPBESRZSA-N 380.426 -1.227 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1261177884 DKFFKQIMQSDIGB-RYUDHWBXSA-N 375.447 -1.545 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783155332 JLBAEHWDCMXOOD-LFJLDINQSA-N 390.440 -1.189 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797800662 HONMTCQPZJQEJM-FDQIELQPSA-N 397.472 -1.182 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839159541 ZZPYGFCLOQSNLH-DAYGRLMNSA-N 381.429 -1.384 30 20 GAED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264088 ICWFTLKARMQLLB-SJKOYZFVSA-N 397.453 -1.314 30 20 GAED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959971 WXYUBLJHCKBOGW-GFCCVEGCSA-N 380.492 -1.004 30 20 GAED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1129059776 BCGLNMQBPYOYQA-GBOPCIDUSA-N 383.416 -1.214 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 1327405984 UYGXIVFKEHTLGI-HNNXBMFYSA-N 386.518 -1.058 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC1 1336050268 VZKMIFXDIBMIIW-UHFFFAOYSA-N 385.490 -1.008 30 20 GAED C[C@@H](C#N)C(=O)N1CC(N2C[C@H](NC(=O)CCOCc3cnn[nH]3)CC2=O)C1 1575179967 XXINEEDKZLPXPB-NWDGAFQWSA-N 389.416 -1.201 30 20 GAED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1783895798 WPZDZHAUDANBIU-RFAUZJTJSA-N 393.429 -1.426 30 20 GAED NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1785629208 RMUWVTMNMMEOND-MLHZQLSASA-N 380.449 -1.044 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2 1835768516 ANAUSQZSQFUVHU-KDOFPFPSSA-N 381.429 -1.081 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2)C1 1839806483 QKTBBDRRHVUDIU-XJKSGUPXSA-N 387.458 -1.596 30 20 GAED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 349543463 YWWYCBPBNCOLOS-UHFFFAOYSA-N 378.476 -1.154 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC(=O)NCC)CC2)C1=O 410881237 BSMYBJATLUXODV-CQSZACIVSA-N 379.461 -1.488 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCS(C)(=O)=O)CC2)c1C#N 788391556 OAJANIQBTRXEEX-UHFFFAOYSA-N 382.446 -1.590 30 20 GAED N#Cc1sccc1N1CCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CC1 1328363807 OAUPZJMECQDCOL-UHFFFAOYSA-N 390.425 -1.064 30 20 GAED Cn1cc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2=O)cn1 1329716430 GRKMQDJZKNBJHE-AWEZNQCLSA-N 385.428 -1.206 30 20 GAED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1602722509 VPJGQBYYPWRKED-JTQLQIEISA-N 392.397 -1.174 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632835 VIKCADGNSNCVNK-JTTNIQEDSA-N 396.488 -1.258 30 20 GAED CC(C)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041820 JODXXOPVOBVDIE-SFHVURJKSA-N 381.429 -1.081 30 20 GAED C/N=C(/NCCN1CCCS1(=O)=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 262598487 XUPBZZSUJRFUIZ-CQSZACIVSA-N 387.506 -1.080 30 20 GAED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(N)=O 727160700 IJBYGYCOSYKPSA-UHFFFAOYSA-N 388.453 -1.596 30 20 GAED CCOC(=O)CON=C(C(=O)Nc1ccc(=O)n(CC(N)=O)c1)c1cc[nH]n1 846398278 NWGQDGFDPCGYLY-UHFFFAOYSA-N 390.356 -1.021 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)CCO1 1326716944 ZILGPFQUXJFCHE-YPMHNXCESA-N 386.430 -1.147 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1 1329114516 OPPBKSONZGDMLB-SMDDNHRTSA-N 389.455 -1.196 30 20 GAED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H]1CCCO1 1342892838 IBOPERGPJSUNTI-LSDHHAIUSA-N 389.412 -1.023 30 20 GAED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588359859 ZKQLIQGPPOVQET-KRWDZBQOSA-N 387.400 -1.072 30 20 GAED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c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c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 863594372 ZGTCFJKLKNCNOW-GJZGRUSLSA-N 399.450 -1.440 30 20 GAED C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 1337649708 DSRLGBBQAYRMBV-INIZCTEOSA-N 391.472 -1.203 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793358194 VTZGBCWLWRHANC-RNGZQALNSA-N 397.472 -1.182 30 20 GAED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773802 KEGFAEOFFRVQMN-CULMDFNYSA-N 384.410 -1.430 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1837213626 MWEJWHSMDHHUQB-QAPCUYQASA-N 397.428 -1.079 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cnn(CC(F)F)c2)c(=O)n(C)c1=O 814225221 RALRCKWOWDDVQW-UHFFFAOYSA-N 376.345 -1.142 30 20 GAED N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@@H]2CS(=O)(=O)C[C@@H]21 1054788086 OWUVANMCWUQBMR-RSLMWUCJSA-N 390.425 -1.716 30 20 GAED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCNC(=O)C2)C1=O 1097642935 RXBRZRBVZWGTEK-LVQVYYBASA-N 375.473 -1.073 30 20 GAED CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111152363 UZSZITMXFCOERO-SYQHCUMBSA-N 378.433 -1.882 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H](C)COC 1261624483 WWDAUGBSMUSTHX-ZDUSSCGKSA-N 376.479 -1.014 30 20 GAED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792801700 NFHBOPSALRVXOA-YWVIFJGQSA-N 375.381 -1.163 30 20 GAED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)C(=O)O 1835765914 HNFMWVITBSMUSZ-HSMVNMDESA-N 389.474 -1.176 30 20 GAED CN(CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 489591315 DKUDBUPGKMLSAF-ZDUSSCGKSA-N 391.409 -1.059 30 20 GAED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 527695936 JGYXIRZXXIIBCL-LLVKDONJSA-N 396.429 -1.189 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 735381741 QMFKCDOBRTWIDA-UHFFFAOYSA-N 389.441 -1.078 30 20 GAED COCC#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1109962077 NSLBFOCMIQTSFU-KBXIAJHMSA-N 375.433 -1.451 30 20 GAED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1782010277 HRHBAGAIUYWPPM-DNVCBOLYSA-N 393.440 -1.080 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1783566599 FKBGBTRQSBGUFX-KRWDZBQOSA-N 388.336 -1.294 30 20 GAED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)CC1 1788650901 VFHUVSPPRIZZLF-QBYUYEEZSA-N 392.456 -1.080 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)CCC1 1801984579 ORYBCJOXFDWLRL-SCAQPMJSSA-N 394.472 -1.444 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832945394 WESUOUMULOKZCY-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 728533900 BQOMOAHZLHQIKY-DFEHZGFQSA-N 384.436 -1.313 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 1341183018 RONLMCKQPZXVCS-CVEARBPZSA-N 376.457 -1.046 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O 1602721373 GSGZKOIAYRJQHQ-AGIUHOORSA-N 383.416 -1.580 30 20 GAED COC(=O)C[C@@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@H]1CC(=O)O 1606447260 WQISRXKJXGYELA-CHWSQXEVSA-N 380.401 -2.372 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779208719 SBFZSYBTIYJEAL-GOSISDBHSA-N 386.364 -1.062 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779208724 SBFZSYBTIYJEAL-SFHVURJKSA-N 386.364 -1.062 30 20 GAED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1CCN(C)CC1 1781098399 KXWHNNYKIVNBLB-DNVCBOLYSA-N 392.456 -1.460 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784480389 YJUKVJBJMPAKJM-YXMSTPNBSA-N 394.472 -1.403 30 20 GAED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1829866909 REUIYCJHZOQGME-KDOFPFPSSA-N 395.412 -1.555 30 20 GAED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830396690 BTYWUSFCHRCDFU-IBGZPJMESA-N 396.440 -1.548 30 20 GAED CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1836669379 PUHSFMDARAQIFY-GOSISDBHSA-N 379.461 -1.396 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840041027 LLZMWTMTNQGHIE-GOSISDBHSA-N 389.364 -1.522 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1841054838 MRONLAKWWDWNDR-VGOKWCNXSA-N 392.456 -1.301 30 20 GAED CN1C(=O)C(/C(N)=N/OCc2cc(=O)n(C)c(=O)n2C)=C(N)C12CCCC2 298785710 OWTHHYUHCFMBKJ-UHFFFAOYSA-N 376.417 -1.130 30 20 GAED CS(=O)(=O)N1CCN(C/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328761034 XRSPPVUCIZHKQC-GFCCVEGCSA-N 382.508 -1.056 30 20 GAED Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 348336361 CMAGOKGSAVPNPU-NSHDSACASA-N 380.427 -1.364 30 20 GAED C#CCN1CCN(C(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 786440600 JVFSAXYOAWBHEQ-UHFFFAOYSA-N 389.460 -2.274 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@@H]1O 964610993 XCTZWUGUMNEECV-WYUUTHIRSA-N 381.389 -1.642 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 970766806 UUPIMHRDHBREFI-NDBYEHHHSA-N 380.401 -1.841 30 20 GAED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354536 PDONMQULAJBONW-UHFFFAOYSA-N 388.388 -2.115 30 20 GAED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781837078 PQZLBVNNXJWNLK-CRAIPNDOSA-N 382.461 -1.299 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831425899 WNRPIFCQBLLTPR-CXAGYDPISA-N 383.449 -1.483 30 20 GAED CC(C)(CC#N)CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 422491263 SYEYOPYRYYPUQY-UHFFFAOYSA-N 393.444 -1.428 30 20 GAED CN(CC(=O)NCCN1C(=O)CNC1=O)S(=O)(=O)c1ccc(C#N)cc1 499968734 NKCGKUNOVQJTJE-UHFFFAOYSA-N 379.398 -1.153 30 20 GAED C#CCN1CCN(C(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 779621907 AAQYKZQHKUKGTR-QGZVFWFLSA-N 398.529 -1.110 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@@H]1O 970707560 QHPARCHXDAFIFG-MQYQWHSLSA-N 386.412 -1.054 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1046653344 WDDXHEKZAVYYDT-ZOBORPQBSA-N 381.429 -1.310 30 20 GAED C[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1S(C)(=O)=O 1327502028 CCJZMIKAEYMXKK-LBPRGKRZSA-N 394.457 -1.026 30 20 GAED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1342183710 IJNZUQQISIGYKN-VXGBXAGGSA-N 394.457 -1.065 30 20 GAED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cncc(C(=O)O)c1 1776052091 GVLIEAREDZTQNJ-UHFFFAOYSA-N 381.370 -1.120 30 20 GAED NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566856 MFLRUHHTFWLJGS-QGZVFWFLSA-N 387.352 -1.893 30 20 GAED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1800452576 OIFLUBCZNFOEFO-MIFYACCESA-N 383.470 -1.119 30 20 GAED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839885933 AIVJOTXWILXYOU-QGZVFWFLSA-N 381.385 -1.943 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)o1 287061715 XAXAJCLYMWQGRT-VXGBXAGGSA-N 375.428 -1.073 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1=O 428630541 PLXKCTJOPKSRTR-CYBMUJFWSA-N 391.428 -1.366 30 20 GAED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1112529227 NWJIKRCXNBNBBM-FLTUCWPJSA-N 377.445 -1.123 30 20 GAED N#Cc1ccc(CC(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(CCO)c2=O)cc1 1581868978 CHMCCFLHWUYIPG-UHFFFAOYSA-N 381.352 -1.134 30 20 GAED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)C(=O)C(=O)O 1795413211 YROQBMIIKCZHMU-PTEHBNRSSA-N 378.385 -1.577 30 20 GAED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800780999 CCCKRXFKTBSNHG-ZWUPXRALSA-N 382.369 -1.720 30 20 GAED N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835640052 ICRGLWBTQOHELT-QGZVFWFLSA-N 393.400 -2.629 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840019995 JZDNQJMCLONWLP-DYJXEPLRSA-N 381.429 -1.318 30 20 GAED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(N)=O 577168787 SHZPKVCNVCGBEK-UHFFFAOYSA-N 399.432 -1.396 30 20 GAED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(N)=O 608911192 QKVUEMLJNMRIGA-UHFFFAOYSA-N 388.453 -1.452 30 20 GAED N#Cc1cccc(CNC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1319877967 FUVFKVHKBJBJQJ-DLBZAZTESA-N 392.481 -1.050 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)CC1 1325869037 NCGFIBMYGWCQIN-UHFFFAOYSA-N 385.490 -1.944 30 20 GAED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 1346577148 KSJOGDGFQGGTSK-NSHDSACASA-N 380.448 -1.324 30 20 GAED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2-c2nn[nH]n2)CC1 1602722447 ROYYBFGKKNMQKU-OAHLLOKOSA-N 399.455 -1.027 30 20 GAED N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796398601 BFUXXTQVOIXRBX-KRXQYRFLSA-N 386.408 -1.371 30 20 GAED C=CCNC(=O)NC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 24977357 BSVHQUGSCGOKDA-UHFFFAOYSA-N 378.345 -2.011 30 20 GAED C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)CC1 728572660 AYGQXYUOQMAEJP-ZDUSSCGKSA-N 377.445 -1.128 30 20 GAED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N=c2nc[nH]n2C)CC1 848962830 ZOJUVELDWCSKIK-UHFFFAOYSA-N 390.491 -2.051 30 20 GAED N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201041700 FYBZXLITBWYTSX-QSJFSLAZSA-N 380.445 -1.115 30 20 GAED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1778264447 VSGQWROYOUCONL-GOSISDBHSA-N 378.429 -1.848 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1834766980 ISPNAVLXVUQJIK-CZUORRHYSA-N 385.442 -1.066 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 585712300 XICWWIXEXZARAY-UHFFFAOYSA-N 393.469 -1.132 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1110740787 DPGUPCCIJYDKEZ-JJXSEGSLSA-N 375.473 -1.380 30 20 GAED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1349760343 KMLCSDZIXJHEQH-HZPDHXFCSA-N 398.529 -1.223 30 20 GAED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1352344961 MBAGDYCRRSCZEF-ZIAGYGMSSA-N 383.474 -1.275 30 20 GAED CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591038780 SDYISGWWYPWMAJ-SNVBAGLBSA-N 375.393 -1.801 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1793344097 HTOGHXRZEUXOSL-XYFZXANASA-N 397.428 -1.321 30 20 GAED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110872 MXEMRSQQMWSLER-DRXBFXEBSA-N 399.411 -1.181 30 20 GAED NC(=O)[C@H](N)CCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664762 OGXGYTLOVUISGY-DTWKUNHWSA-N 393.425 -1.264 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1835355253 ZZPMYHCAOMOAQN-PXAZEXFGSA-N 393.400 -1.655 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](N2CCNCC2)C(F)(F)F)C1=O 261752640 DWBYBWYSKGMOER-JTQLQIEISA-N 391.350 -1.085 30 20 GAED CN(C)CC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 920446131 OPHXVCKZWAIAHZ-UHFFFAOYSA-N 393.469 -1.043 30 20 GAED C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588331924 YFGZYOHEYFOEFA-ZDUSSCGKSA-N 396.411 -1.229 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1593330641 NDJXKUGDWILEGE-GWCFXTLKSA-N 394.409 -1.021 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829877584 GTSXFWVBEVYUME-SFHVURJKSA-N 379.413 -1.373 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830060084 HQTBVOJETXZDHO-DEYYWGMASA-N 380.445 -1.285 30 20 GAED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)C2)n1 349541868 WUXZGHJXWYCDDH-UHFFFAOYSA-N 390.447 -1.815 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 823851082 ZEEXWAPFALRBKV-UHFFFAOYSA-N 397.443 -1.043 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)NC)CC2)CC1 1322061000 LKFKKCGORKXJLL-UHFFFAOYSA-N 399.517 -1.554 30 20 GAED CN(C)C(=O)N1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1332108823 LYNRAYKUUVLCRM-YPKPFQOOSA-N 392.416 -1.545 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCN1C(=O)CCC1=O 1346316162 MHYUZLWWGMFRRB-GFCCVEGCSA-N 399.411 -1.349 30 20 GAED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN(CCO)CCO)CCO3)C2)CCC1 1785369304 HJHJWUPLSAKBHT-IBGZPJMESA-N 394.472 -1.203 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800893237 RSJZFVHUCCQNHV-IVWMJMPLSA-N 377.397 -1.324 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)CCC1 1801977971 ZWPOIUXARKXNAB-JJLQDPRZSA-N 389.412 -1.178 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840158114 FRVXECYLWAKHEK-BXUZGUMPSA-N 380.488 -1.194 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(S(N)(=O)=O)c2)C1=O 520510300 NGEQFSWROGQXGY-UHFFFAOYSA-N 380.382 -1.073 30 20 GAED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(=O)Cn2cncn2)n1 1092847339 ICQNDAVCBVUBTF-RDBSUJKOSA-N 381.400 -1.018 30 20 GAED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CNC(C)=O 1109459548 RWBJZOCIIKOVSJ-RZFFKMDDSA-N 379.461 -1.349 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1323261416 KWODEDFDBURHMB-UHFFFAOYSA-N 377.401 -1.168 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cn2C)CC1 1602726065 KTOBCKYTFNWSQV-UHFFFAOYSA-N 390.443 -1.503 30 20 GAED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N 1795536542 BXFCSZRRIKPJGC-DABQJJPHSA-N 379.465 -1.659 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1834763785 YNBVULURWLBONT-KRWDZBQOSA-N 388.384 -1.441 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)CCC1 1840812948 UEDNCASNKIKKDQ-QGZVFWFLSA-N 389.416 -1.177 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 831560709 FFSZISYYRRXMJE-CQSZACIVSA-N 385.490 -1.992 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1322610799 CHBXBRZKXJHSIG-UHFFFAOYSA-N 397.475 -2.518 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1 1601062056 DOVQDKXCAJBRTI-IRXDYDNUSA-N 380.401 -1.749 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778839864 GRENXHSRCFJLQH-JXCVUKRWSA-N 375.381 -1.261 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800576442 SKOGRRKCIDXFJC-CUSZFKRNSA-N 399.488 -1.546 30 20 GAED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567446 FFTBCSPMKVGOTH-CZUORRHYSA-N 387.506 -1.120 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235180 MYLSYABXBZVFDN-YJBOKZPZSA-N 391.428 -1.227 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 1839807274 XSZJFTDZYOLPEN-SFHVURJKSA-N 387.396 -1.670 30 20 GAED CC(C)(C)/N=C(/O)NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 330645853 ILBRATFFIMYDFF-UHFFFAOYSA-N 383.449 -1.182 30 20 GAED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 374454243 UNKVPXCXMHPDSV-LBPRGKRZSA-N 399.477 -1.325 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 820804291 PTQOCEAFCICCMG-SNVBAGLBSA-N 380.376 -1.143 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800519916 FYJVTZRHRJTKQX-QRGPAXONSA-N 390.440 -1.430 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835566659 NSIJQZOLCGHRNL-KBXCAEBGSA-N 380.445 -1.551 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)C1=O 278465954 YRJLNANZAFZSSK-QWHCGFSZSA-N 383.401 -1.164 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600762682 ZFBBCXHHZASUAG-WOPDTQHZSA-N 389.455 -1.055 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCCO1 804869997 LQFAACSUYDRACU-STQMWFEESA-N 389.499 -1.222 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1043246420 JICWKPRGUJNOCL-FQUUOJAGSA-N 381.429 -1.310 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 1261239748 ZBHNVZUQMLWVMI-UHFFFAOYSA-N 380.430 -1.415 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010304 JLZJDAHQJFBSCE-VEVIJQCQSA-N 394.428 -1.819 30 20 GAED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1834164119 YQINUEFVGWUEDV-SFHVURJKSA-N 390.396 -1.113 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C(N)=O 349507848 WBJQFGJMGVEFAB-WDEREUQCSA-N 398.532 -1.217 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCO1 499494139 TYNGPSHLYGZCBK-QWHCGFSZSA-N 378.476 -1.045 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2CCNC(=O)C2)c1 570441654 YTXJPHUYTJXKIV-UHFFFAOYSA-N 379.442 -1.225 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1783557100 HCWMBCVGMWBYGE-QLJPJBMISA-N 378.341 -2.498 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835734870 LLPNAAQIKZGSLZ-FZKQIMNGSA-N 395.460 -1.415 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141914 HSYZTRPUNFOMFT-WMLDXEAASA-N 392.416 -1.832 30 20 GAED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042990 ARQOXXLUTPXPJJ-KXBFYZLASA-N 393.440 -1.127 30 20 GAED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 292339116 OMOYQLZRDGDISZ-UKRRQHHQSA-N 391.432 -1.559 30 20 GAED COCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 519618757 UEWRUJCJSPQDTP-UHFFFAOYSA-N 375.428 -1.130 30 20 GAED C=CCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 1319387126 ZBBGTNMLMBQSIT-NEPJUHHUSA-N 393.487 -1.326 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@H]1CCCO1 1323586347 ATYYHQSHIYDGKI-LSDHHAIUSA-N 390.440 -1.423 30 20 GAED CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1335575984 OUCUVNCMXAZKRX-CQSZACIVSA-N 383.474 -1.321 30 20 GAED CN(C)C(=O)CN1CCN(CC#CCN2CCN(CC(=O)N(C)C)CC2)CC1 1351313536 IUBXZMLTNADKRJ-UHFFFAOYSA-N 392.548 -1.599 30 20 GAED CN(C)S(=O)(=O)CCS(=O)(=O)N(CCC#N)CCN1CCOCC1 1463018194 OWIKASHMADDCHB-UHFFFAOYSA-N 382.508 -1.245 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573287961 QSLUZRMDUAIAPE-PIGZYNQJSA-N 387.400 -1.074 30 20 GAED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557249 DMIHVALEDDMEKH-MRXNPFEDSA-N 384.410 -1.190 30 20 GAED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073243 VTJARLHTBUNUJM-AVGNSLFASA-N 380.401 -1.675 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836207024 ZMOBYWKJJUCUPH-CRAIPNDOSA-N 391.428 -1.227 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1839722721 IZZLICSPRCVIPD-KRWDZBQOSA-N 376.369 -1.503 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)CCC1 1840814865 JSRXEAZHNBEBJE-DOXZYTNZSA-N 392.456 -1.141 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O 266412810 GWVGAIPNCCJXGE-GFCCVEGCSA-N 378.345 -1.291 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 742634936 ZEGHYCBCAPJHKM-BQGCOEIASA-N 388.424 -1.958 30 20 GAED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 785213148 YKJKMQMDOZTBHM-NSHDSACASA-N 389.343 -1.164 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1093053190 SIJCTFNDORPFCS-UPJWGTAASA-N 379.446 -1.030 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1196185538 XZELHJBNURBVNS-YVECIDJPSA-N 381.433 -1.939 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793342458 PJSHQCHFJFFKIB-HAFSJTIUSA-N 380.445 -1.793 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1812878105 COJYSUGKFMKZPY-GUYCJALGSA-N 383.368 -1.138 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076870 TVXQZOOPNUTBAT-FPXQBCRKSA-N 397.472 -1.243 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1840041608 XFPFLKNXYGTLKX-SFHVURJKSA-N 389.364 -1.055 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 966062242 IBWNANFREATQKS-RFHZTLPTSA-N 392.416 -1.954 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1109971823 LGFQGZDVFBEBFC-CRWXNKLISA-N 375.429 -1.260 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1343080066 LLWJYOCPVFAMBQ-LBPRGKRZSA-N 380.401 -1.877 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)O)C1=O 1602894630 PAWQTUWCZFKSGE-VHSXEESVSA-N 381.341 -1.172 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1CCN(C)CC1 1783566042 XANVZDXOSNKWSC-HNAYVOBHSA-N 392.456 -1.460 30 20 GAED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(=O)O 1791075954 ICICRSGEHHPBFX-CYDGBPFRSA-N 381.385 -1.883 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccnc3)C2)C1 1839807406 YKXBKWXKKDKKFY-IBGZPJMESA-N 386.408 -1.099 30 20 GAED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 595151224 PXOFSFPSQHGAIU-LBPRGKRZSA-N 377.426 -1.019 30 20 GAED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cn1 732564788 QRYBSLMPOCVCJL-UHFFFAOYSA-N 388.453 -1.361 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1783556843 FBPDGXYVSGOCTM-QGZVFWFLSA-N 375.337 -1.383 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1786704423 PUNKNJHDAUNACV-JKQORVJESA-N 380.445 -1.080 30 20 GAED N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796307159 JXAAKDXSJUHDOJ-DZJQYVJYSA-N 392.437 -1.310 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNCP(=O)(O)O)C2)C1 1834757953 CPRKSNCZUKTHDA-AWEZNQCLSA-N 390.333 -1.919 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1839809443 PTAQMSXXPCPVGE-KBXCAEBGSA-N 397.428 -1.081 30 20 GAED Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C#N)c(=O)n(C)c1=O 291373553 BURYSJDXNHVFJU-UHFFFAOYSA-N 390.400 -2.537 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCNC(=O)C2)c1 913298514 QKXAPMGSDBGLLX-UHFFFAOYSA-N 380.382 -1.662 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3c(=O)cc[nH]c23)C1 963279134 PZQXMHDXNRNEGF-ZZVYKPCYSA-N 387.396 -1.085 30 20 GAED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)Cn1cncn1 1092847448 ODPAULCADNBYKH-DYEKYZERSA-N 381.400 -1.018 30 20 GAED COc1c(O)nc(O)nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109972019 UFTTUHLGXVCFCB-UTLUCORTSA-N 376.373 -1.129 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 1324753823 VSTQHGGXUDAGLF-GFCCVEGCSA-N 376.431 -1.258 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2cc(C#N)ccc2C(=O)O)c(=O)n(C)c1=O 1776052087 GQIYIYUBEJKAGD-UHFFFAOYSA-N 391.365 -1.034 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1797589992 YTQORMLPCXPORP-XPORZQOISA-N 375.447 -1.041 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035390 DTRZVWIABFLDAM-YFKFIEJBSA-N 391.302 -1.658 30 20 GAED C#CCN=c1nc(N2C[C@H](O)C[C@@H]2COC)[nH]c(N2C[C@H](O)C[C@@H]2COC)n1 845675644 IXOSYOORXBNSCW-KBUPBQIOSA-N 392.460 -1.489 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1O 1025709712 XASSIQPFTUXLFL-LPWJVIDDSA-N 380.401 -1.841 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)CS(C)(=O)=O 1342183707 IJNZUQQISIGYKN-NEPJUHHUSA-N 394.457 -1.065 30 20 GAED C#CCOCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588359701 AJJLWHLDKOMMHA-GFCCVEGCSA-N 375.389 -1.216 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781779881 GQPBYPOHENUTDP-VEVIJQCQSA-N 377.397 -1.276 30 20 GAED O=C(Cn1cnnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795859474 VURCILFTEFAHLL-HWOSJKGISA-N 387.400 -1.025 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840041366 JEKLILTZLQBKEE-QGZVFWFLSA-N 376.369 -1.573 30 20 GAED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)C2=O)cc1 289118303 QPCGBBPWTMGEFR-GJZGRUSLSA-N 399.407 -1.117 30 20 GAED CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349533227 DWEFKYSHAHFDEZ-UPJWGTAASA-N 397.475 -2.000 30 20 GAED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC(=O)NCC#N)C1 377056712 MYJOEEJXNRZAAR-GFCCVEGCSA-N 375.451 -1.292 30 20 GAED C#CCNS(=O)(=O)N1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 895916108 VVQXTRPCDXUGGV-UHFFFAOYSA-N 393.517 -1.186 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1792491401 TVGGLCSQFYPGHE-LXBXGBMDSA-N 394.428 -1.210 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1831328188 BJPZZSYYKOUTBL-CZUORRHYSA-N 387.458 -1.596 30 20 GAED NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527598 QSSNXLNEJWJGEN-BAEMFCHESA-N 384.433 -1.070 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233712 NYYDTYNFSHBAMS-UGSOOPFHSA-N 393.396 -1.943 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840841822 XZJANJSOYCZIPJ-SFHVURJKSA-N 377.445 -1.304 30 20 GAED C=CCOC[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OC 481773779 BLWCLXVHRPHIAW-NSHDSACASA-N 393.400 -1.316 30 20 GAED COC(=O)CN(CC#N)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 485385844 JDJBYJJOYVXMFD-UHFFFAOYSA-N 381.433 -2.012 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 490883846 CELICVWYFVYOKL-MFKMUULPSA-N 391.409 -1.012 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(O)nc2=O)C1 1024476030 HCGJNNGZOZZLKF-LPWJVIDDSA-N 378.385 -1.772 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1109596029 CVRNBZSERFRXQU-VOAKCMCISA-N 378.433 -1.257 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1791077155 MTFRFDVIJFQFJM-PFIHPVEISA-N 389.408 -1.111 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791287876 ZTAONFRIUOAKHP-RSLFNQERSA-N 396.396 -1.330 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831402205 QLQZQWGRXHTYLT-KBXCAEBGSA-N 381.429 -1.253 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835404706 KOYRTLIFUSSEFO-IBGZPJMESA-N 378.473 -1.287 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426529 BNWHJDIYUMEAPN-KBXCAEBGSA-N 381.429 -1.431 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1839223856 AXLDYTCCMCPUBR-KEYYUXOJSA-N 385.465 -1.470 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921335 RVCWFDKHQYNGAX-CXAGYDPISA-N 399.448 -1.088 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)NCC2CN(S(=O)(=O)CC)C2)CC1 439937424 YGXWEFKFNYXFSA-UHFFFAOYSA-N 387.506 -1.103 30 20 GAED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 468893592 HURCYZXTUXPCTH-AWEZNQCLSA-N 377.445 -1.060 30 20 GAED Cn1c(C[C@H](O)CC#N)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1123048349 CYOMFNWUDVPXTG-CYBMUJFWSA-N 375.433 -1.097 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 1129912406 DCYSTCGORJSNHL-LVQVYYBASA-N 389.460 -1.912 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795518844 KYSGDRLNGISMCS-PTEHBNRSSA-N 388.361 -1.149 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1834769084 ZOPXTHDOZDLRCT-KRWDZBQOSA-N 376.369 -1.719 30 20 GAED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840165948 ORKMNKWLVXIKBF-SJCJKPOMSA-N 397.453 -1.314 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1841054057 HILBYOICVVNAHE-PLNGDYQASA-N 389.412 -1.400 30 20 GAED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C)c2)c1=O 758074702 BJAXBNLSOOFERJ-GFCCVEGCSA-N 385.449 -1.069 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 968511210 ZIKRJPVJPGYERS-MQYQWHSLSA-N 379.417 -1.749 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC1(C#N)CCOCC1)C2 1256341973 RFMVRUOHSUDCFU-UHFFFAOYSA-N 391.432 -1.021 30 20 GAED C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 1588359443 ONBXLUOZVBHPIB-JSGCOSHPSA-N 387.400 -1.074 30 20 GAED N#CCSCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1592679645 XNLJEYPLZFYYED-VHSXEESVSA-N 375.418 -1.031 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233711 NYYDTYNFSHBAMS-SCLBCKFNSA-N 393.396 -1.943 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)N(C)C[C@@H](C)C#N 558564658 DEJIUBCBRYPDCT-TXEJJXNPSA-N 380.496 -1.162 30 20 GAED C[C@@H](C(=O)O)n1cccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 833405070 BWEVVWCKUNXFBX-VIFPVBQESA-N 383.386 -1.157 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1O 1023960870 XWSBWIDPQHYLOC-LPWJVIDDSA-N 392.416 -1.954 30 20 GAED C#CCNC(=O)CC(=O)NC1CCN(C(=O)CCOCc2cnn[nH]2)CC1 1575004944 QGWIWKIBEYYICV-UHFFFAOYSA-N 376.417 -1.042 30 20 GAED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C(=O)O 1782010863 ZGLKQDYEFRTTDK-SNUQEOBHSA-N 395.412 -1.349 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CC(=O)NC4=O)C[C@@H]32)CC1 1786695254 SHGRXNRFFYTGJW-AVGNSLFASA-N 389.412 -1.178 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1829762376 ILSQIPLYRUJWLF-CWIOURORSA-N 383.401 -2.388 30 20 GAED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833845396 NNFRHXGTALJYEH-INIZCTEOSA-N 377.357 -2.027 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1840042343 OUONMTGIFGOPFK-GOSISDBHSA-N 392.364 -1.070 30 20 GAED CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124109 WCLJEJGJKNQJLZ-UHFFFAOYSA-N 378.477 -1.241 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 969050382 CSSBIJYQPXPLJY-NDBYEHHHSA-N 380.401 -1.841 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1120386877 HQNWRXRRHKFOAY-VXGBXAGGSA-N 392.441 -1.311 30 20 GAED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1-c1nn[nH]n1 1602724299 CHILKNJUXJNVFM-UHFFFAOYSA-N 388.435 -1.715 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1756089450 VLYBRRRLZGJOAU-ZOBORPQBSA-N 381.429 -1.310 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831388539 URMJHNODIZBYJY-KSSFIOAISA-N 381.429 -1.383 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)O 1840041893 NUBNPENSVQWGRX-PXAZEXFGSA-N 397.384 -2.407 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847801609 PSMBPGVAZSXMSM-WXHSDQCUSA-N 385.384 -1.334 30 20 GAED CCN(C[C@@H](C)C#N)C(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276434437 NVNZPTDSMOVGIZ-ZDUSSCGKSA-N 377.449 -1.043 30 20 GAED Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)n1 349517062 DXSWEIQUJZTARV-UHFFFAOYSA-N 391.479 -1.582 30 20 GAED N#Cc1cn(C2CN(C(=O)CNS(=O)(=O)c3cccnc3)C2)c(=O)nc1O 530267249 OCOUUAVVPLYELJ-UHFFFAOYSA-N 390.381 -1.423 30 20 GAED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H](OC)C1 1213555287 GCZYTFUIIYSQOF-YFHUEUNASA-N 389.456 -1.147 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)oc2C)CC1 1588354286 VMWDDEQHQUELDY-UHFFFAOYSA-N 379.402 -1.006 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793942006 RFSBUQCNOYTPJB-WHPHWUKISA-N 394.428 -1.235 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1836489039 RUMNBVLHNJKXBA-PXNSSMCTSA-N 386.452 -1.220 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(=O)O 1840041895 NUBNPENSVQWGRX-SJKOYZFVSA-N 397.384 -2.407 30 20 GAED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NCCOC)CC1 1341316215 MCDFJAHBYTVWRG-CQSZACIVSA-N 391.476 -1.048 30 20 GAED CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1345840547 OVNDPGGUCKGYEW-SFHVURJKSA-N 379.461 -1.030 30 20 GAED CS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213200 LVNWXCKCPIVGPL-KRWDZBQOSA-N 384.454 -1.099 30 20 GAED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1843838571 PNDXNNDRGWPZNM-UHFFFAOYSA-N 397.453 -1.051 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)nn1 424547511 OOPQJABFHFDFGN-UHFFFAOYSA-N 397.461 -2.474 30 20 GAED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1 600764476 QUSVJTCPPPZTTI-BPNCWPANSA-N 389.455 -1.055 30 20 GAED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787774821 LEXLNGGMFDZMMR-UHFFFAOYSA-N 387.444 -1.111 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 848959033 VJSMVTCHEREMHR-QWRGUYRKSA-N 380.448 -1.326 30 20 GAED C=C(C)COCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1261164082 GEDAQDDLPCBJMR-UHFFFAOYSA-N 380.445 -1.012 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC2(CCN(C(=O)CC(=O)NCc3cnn[nH]3)C2)C1 1575004361 DXIQVRMZXGOBIC-ZDUSSCGKSA-N 388.428 -1.090 30 20 GAED C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575108435 KWJGBHXWJXMQGH-OCCSQVGLSA-N 392.464 -1.125 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789379174 PXGBQUIZBNYLIA-JKOKRWQUSA-N 377.353 -1.152 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792625108 JNYWPYPTMBJFRF-HGTKMLMNSA-N 380.445 -1.115 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801118283 ZDYDUSOEIIRZCQ-ZUMXRPEOSA-N 389.408 -1.461 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837397122 MTGUMDZWMPFMRK-SUNYJGFJSA-N 384.477 -1.698 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840044487 JPHDLZJMCKIOCW-QGZVFWFLSA-N 376.369 -1.503 30 20 GAED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 349501197 GFBLIZHTSBMQMA-NEPJUHHUSA-N 383.492 -1.445 30 20 GAED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1218340858 RTMKGOGLVUGOMC-YXISZKLHSA-N 377.441 -1.301 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 1323755404 DOCALXGAKGANHN-DGCLKSJQSA-N 397.457 -1.253 30 20 GAED Cn1cc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2=O)cn1 1329716431 GRKMQDJZKNBJHE-CQSZACIVSA-N 385.428 -1.206 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1330322544 YBFULYYCDXLQNF-UHFFFAOYSA-N 385.471 -1.066 30 20 GAED Cn1c(C#N)ccc1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)n1C 1592545847 FRZVEDNBXRBZNJ-JTQLQIEISA-N 397.399 -1.064 30 20 GAED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 1606344893 BIGOYVYEFTUAFX-NSHDSACASA-N 377.386 -1.104 30 20 GAED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 1776202059 WGASXVCEPZSIFK-QWHCGFSZSA-N 390.418 -1.911 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1832697408 OGIAABAIAIQFLT-YVEFUNNKSA-N 380.401 -1.383 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1839101167 FRBSKQMGDBYQHB-QFBILLFUSA-N 393.488 -1.008 30 20 GAED CC1(C)C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349527731 WCCNXQIJKYMJSA-UHFFFAOYSA-N 378.476 -1.108 30 20 GAED CN(C)S(=O)(=O)NCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 584239104 SDDSNYRAVUNWMC-UHFFFAOYSA-N 389.459 -1.651 30 20 GAED N#CCN1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 609337742 GBEVPQNCSYQZML-UHFFFAOYSA-N 392.460 -1.313 30 20 GAED Cn1c(C=NNc2ccc(S(N)(=O)=O)cn2)nc2c1c(O)nc(=O)n2C 920372616 SYGAASPIWSVJBI-UHFFFAOYSA-N 378.374 -1.139 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1O 964615131 IBKQVUHAUCABBG-KBXIAJHMSA-N 380.445 -1.913 30 20 GAED CC#CCS(=O)(=O)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1117678857 MOYUJMDPSXXJSG-JTQLQIEISA-N 375.428 -1.379 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1347513856 FEUXXPZQHGXRDJ-UHFFFAOYSA-N 385.471 -1.066 30 20 GAED N#Cc1c[nH]c(C(=O)NCC2(O)CN(C(=O)CC(=O)NCc3cnn[nH]3)C2)c1 1577712211 DZNNGJQIUSOLOB-UHFFFAOYSA-N 386.372 -1.986 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1588363414 DVNXFRPNESYFPE-UHFFFAOYSA-N 384.400 -1.324 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc(C(=O)O)c(O)c2)c(=O)n(C)c1=O 1776052211 QKXXUAVVQTWFFF-UHFFFAOYSA-N 382.354 -1.200 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781041592 BYDZRFMUEIUKLB-UJUYVFTQSA-N 392.456 -1.603 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1797708332 RVOXNFDQUUVSPP-XFMPKHEZSA-N 378.433 -1.164 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1829765147 IKSSPHWBIQDQHY-VOFKWLDRSA-N 394.472 -1.137 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831438574 QRNVAMWECKNTTO-GUYCJALGSA-N 384.433 -1.298 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1835355256 ZZPMYHCAOMOAQN-SJKOYZFVSA-N 393.400 -1.655 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCO2 1835768518 ANAUSQZSQFUVHU-KSSFIOAISA-N 381.429 -1.081 30 20 GAED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)c1 1838738831 CJICWBAYUIIPBM-SFHVURJKSA-N 392.412 -1.035 30 20 GAED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040334 VICGORRDZYTDFX-CRAIPNDOSA-N 382.413 -1.062 30 20 GAED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 372659718 ISNFDKITEPKCMK-GFCCVEGCSA-N 388.355 -1.055 30 20 GAED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 584802856 PBCALPYMLDRASP-QWHCGFSZSA-N 395.507 -1.294 30 20 GAED C=C(CNC(=O)[C@H]1CN2CCCN1CC2)CNC(=O)[C@H]1CN2CCCN1CC2 620748805 ZLMGPNLSYMSTHO-QZTJIDSGSA-N 390.532 -1.445 30 20 GAED COC(=O)[C@H](C)n1cccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 774585662 KMIORVGAYANRGZ-JTQLQIEISA-N 397.413 -1.068 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)CN2CCOCC2)CC1 893114671 XAODAZZFRMCRCO-HNNXBMFYSA-N 387.506 -1.251 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](OC)C2)nn1 946762652 UYSAEVYXLPBQTP-YXCITZCRSA-N 392.416 -1.547 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC(=O)NC)C1 1130009492 RLGOPVXZTAARNC-MQYQWHSLSA-N 391.432 -1.334 30 20 GAED CNC(=O)[C@H]1CN(c2ccc(C#N)c(N3CCO[C@@H](C(=O)NC)C3)n2)CCO1 1320781077 AQJXAAJRGKETLG-ZIAGYGMSSA-N 388.428 -1.144 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1=O 1332150394 HUJIYYXSAIVRBB-GASCZTMLSA-N 375.429 -1.089 30 20 GAED CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1OC 1346277863 RPEIZMKELPBJEV-OBCRFCIBSA-N 380.401 -1.062 30 20 GAED COCCN(C)S(=O)(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1642654502 WYPKIJADYOAQCF-NSHDSACASA-N 385.446 -1.178 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783133681 KLTVTOLSOGWRHF-XDXAGZTOSA-N 378.429 -1.189 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838340808 ZYDCNOLQXYMLNS-SFHVURJKSA-N 389.364 -1.522 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1840840151 BWSBWDPJNZFJFX-GOSISDBHSA-N 392.412 -1.592 30 20 GAED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CO)cc1 275760020 UNQWGUQJXYNEMR-DSVMPHHWSA-N 398.441 -1.093 30 20 GAED CNS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 299067214 TYWVWSNRBZFHNE-UHFFFAOYSA-N 386.455 -1.060 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)C1=O 549721939 MVLPCCPHAAWDHR-SYMYPATASA-N 375.381 -1.450 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCC(C(=O)O)CC2)CC1 833365836 TWQKOVLBOQAZOX-ZDUSSCGKSA-N 386.474 -1.217 30 20 GAED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1196145802 OTJANUODJJWPPC-APIJFGDWSA-N 380.445 -1.619 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389093 MAMXDIJFVWESND-HNNXBMFYSA-N 377.313 -1.151 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1783561634 CRBYHASEGQXVRG-QGZVFWFLSA-N 384.352 -1.344 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831212817 HUYBZTCIDPIKCX-HNAYVOBHSA-N 392.456 -1.551 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831396323 JJZCORSIHQWARB-FZKQIMNGSA-N 392.412 -1.643 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 410421436 MPZDFRIBVRFTSB-LLVKDONJSA-N 385.450 -1.715 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)C1=O 511304225 WPGPQXOKNMNSIW-ZYHUDNBSSA-N 395.368 -1.084 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 742634939 ZEGHYCBCAPJHKM-KFZJALRRSA-N 388.424 -1.958 30 20 GAED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118153174 UAPGTMMRRXVUOS-KDOFPFPSSA-N 379.461 -1.078 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCO1 1332301920 CSHQQOKQKPTUKA-HOTGVXAUSA-N 379.461 -1.350 30 20 GAED N#CCN(C(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(CCO)c1=O)c1ccccc1 1592677422 LZFPWZPJFZUCCL-UHFFFAOYSA-N 396.367 -1.261 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1778969269 HGHFCYCFARAPEK-NJSLBKSFSA-N 396.488 -1.018 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141913 HSYZTRPUNFOMFT-RHSMWYFYSA-N 392.416 -1.832 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347789 OPFIUWRSZKAHST-GUYCJALGSA-N 377.401 -1.087 30 20 GAED CC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044784 XNYIRGMDOGGPKK-KRWDZBQOSA-N 381.385 -1.943 30 20 GAED CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511920780 SAYSGFWVUMBBAL-UHFFFAOYSA-N 375.451 -1.292 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1=O 569875300 LYGVONIKHPZMMZ-LSDHHAIUSA-N 393.488 -1.065 30 20 GAED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CN(C)CCO1 589139135 QFZSRDKSYKJJAI-RISCZKNCSA-N 377.449 -0.910 30 20 GAED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118247879 RCNGJLAUOGFJFZ-SFHVURJKSA-N 379.461 -1.124 30 20 GAED C[C@@H]1CN(c2nccnc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c1cccc(C#N)c1 468664089 WLBFSAQRZBIPEX-GWCFXTLKSA-N 394.409 -1.275 30 20 GAED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 595989321 SGCVHBJZPKFMIX-LSDHHAIUSA-N 397.439 -1.628 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC2)CC1 820626622 SMBAPDMTBIXOJH-OAHLLOKOSA-N 387.462 -1.373 30 20 GAED N#CCN1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094645421 LDODZENOFFVCPV-RQJABVFESA-N 384.458 -1.367 30 20 GAED COCCCN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CCS(=O)(=O)C1 1349331644 SNJUDLHZKLUZRI-BBRMVZONSA-N 387.458 -1.084 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 1351129477 NCCIVVYKTPVOPC-UHFFFAOYSA-N 388.432 -2.202 30 20 GAED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](C)NC(N)=O)CC1 1575103494 DWLHPPZMFMGFKQ-LBPRGKRZSA-N 392.464 -1.043 30 20 GAED N#CCSCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1606350709 AKLCFHZVPOPZKD-UHFFFAOYSA-N 376.402 -1.245 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1795598705 YCQGZHDOXBYTET-AGGWBTHJSA-N 390.448 -1.455 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840039866 BXXYRMUVFFMEAU-ACJLOTCBSA-N 393.396 -1.943 30 20 GAED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041295 DAFJFPZXRGLEPU-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(C(C)(C)C(N)=O)CC1 261676893 HHOZDPUIHIMZJR-ZDUSSCGKSA-N 388.538 -1.275 30 20 GAED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 267538310 BXLBUNFNDABILN-UHFFFAOYSA-N 386.347 -1.007 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NC[C@H](O)CN1CCOCC1)c1cc[nH]n1 276508061 ARXGPRCZHXPXDY-PQXWDWFGSA-N 383.405 -1.497 30 20 GAED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc1 277400166 BEZZJSGPEIYKJY-KBPBESRZSA-N 383.426 -1.004 30 20 GAED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511909244 IGXYFZGPHMMGNX-UHFFFAOYSA-N 384.418 -1.053 30 20 GAED Cn1c(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(C#N)c(=O)n(C)c1=O 536174224 RBGRGSGTAUEJOE-CQSZACIVSA-N 398.423 -1.030 30 20 GAED CN1CC[C@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 579495273 UVSCPIVRXJVYEO-AWEZNQCLSA-N 388.471 -1.167 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1=O 613853356 AUILRCXQUIMJRV-UHFFFAOYSA-N 387.418 -2.086 30 20 GAED C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)N[C@H](C#C)[C@H]1CCCO1)[C@@H]1CCCO1 847759486 UZKKTIQYYFLZFW-GEEKYZPCSA-N 396.465 -1.005 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 1025696488 YYEFGZOUMOMAFC-GFQSEFKGSA-N 376.417 -1.333 30 20 GAED N#CCN1CCC(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 1117178497 KDYYUSHQBYFOBG-CQSZACIVSA-N 378.477 -1.206 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@H](OC)C1 1212421939 AYWVDZYVIGFMEL-JLNYLFASSA-N 384.433 -1.383 30 20 GAED C=CCNC(=O)Cn1c([C@H]2COCCN2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1574936126 GZASGCKPBAXQHI-QWHCGFSZSA-N 398.489 -1.136 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)CC1 1602718340 RXMRSGSTHSLQQQ-HUUCEWRRSA-N 397.443 -1.332 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831402206 QLQZQWGRXHTYLT-KDOFPFPSSA-N 381.429 -1.253 30 20 GAED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835750729 ZMMFAODCMMTFGE-MQIPJXDCSA-N 388.490 -1.646 30 20 GAED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(=O)Cn2cncn2)nn1 1092980059 OTUUPKZDGOZHJJ-MCIONIFRSA-N 381.400 -1.018 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 1118146483 ZOVFCDPQXREOJS-MRXNPFEDSA-N 380.426 -1.042 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 1338976277 KNQJAHXEVCDNSE-UHFFFAOYSA-N 396.473 -1.796 30 20 GAED CC(C)(CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1CCOCC1 1346266468 ZVUCKDBXHAYRQN-CCEZHUSRSA-N 393.444 -1.144 30 20 GAED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785037304 SHCSPYSZEZWPEA-KKUMJFAQSA-N 383.470 -1.670 30 20 GAED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(S(C)(=O)=O)CC1 1797141003 OJNVDZFRMCRAPP-MIFYACCESA-N 383.470 -1.119 30 20 GAED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840041417 LRFNXTYHKWSDAP-GOSISDBHSA-N 388.380 -1.057 30 20 GAED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042789 OMDSDTGPTTZKMT-KRWDZBQOSA-N 376.369 -1.124 30 20 GAED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999681 LCKYUOONULOPIX-UHFFFAOYSA-N 385.380 -1.078 30 20 GAED Cn1c(N2CCN(S(=O)(=O)c3cccnc3)CC2)c(C#N)c(=O)n(C)c1=O 25568324 JYMJEIUZGJXTFL-UHFFFAOYSA-N 390.425 -1.138 30 20 GAED CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 846260334 YDGQOGNCGPUERR-UONOGXRCSA-N 380.426 -1.061 30 20 GAED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 848942507 NTEUOXMMJPELQZ-HUUCEWRRSA-N 399.450 -1.128 30 20 GAED C=CCN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 1117275710 GAOPNYXNYJHRAZ-UHFFFAOYSA-N 393.488 -1.050 30 20 GAED C#CCN(C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)[C@@H]1CCS(=O)(=O)C1 1573282894 NMQNFVFXHGBHBT-SECBINFHSA-N 393.385 -2.222 30 20 GAED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@@H]1O 1757181888 GAMAILRBSFCFAV-YFQWEKLQSA-N 380.445 -1.025 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1835355029 PIAHTIXXEDNGHR-QGZVFWFLSA-N 393.400 -1.702 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076872 TVXQZOOPNUTBAT-PASDCYSWSA-N 397.472 -1.243 30 20 GAED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042517 YSTPPCRTAVDKKM-ACJLOTCBSA-N 393.396 -1.779 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 409489492 ZAAPPYDTWPQTTG-LBPRGKRZSA-N 383.496 -1.402 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2nnnn2C)cc1 594628748 GYOUYUJSWAFAMU-UHFFFAOYSA-N 399.458 -1.125 30 20 GAED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 791329450 FCVAOPUGKCJETE-TZMCWYRMSA-N 380.488 -1.025 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 810352530 QLQDNVUSLXDZFY-UHFFFAOYSA-N 393.469 -1.356 30 20 GAED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 1129912430 FRAZHWQCHSQYSF-LVQVYYBASA-N 391.476 -1.359 30 20 GAED N#Cc1c[nH]c(C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)c1 1577712435 MUQNUDJUWQJTGW-HIFRSBDPSA-N 386.416 -1.124 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2C)CC1 1588353786 GKPUVZPPECBPMZ-UHFFFAOYSA-N 390.429 -1.204 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1795599149 XIVPYQCPQUOOGN-JJLQDPRZSA-N 390.444 -1.266 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833225730 VPHHDLPSWRMEQE-KDOFPFPSSA-N 391.428 -1.077 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358209 VKWFAIGZJVALMW-UGSOOPFHSA-N 392.412 -1.643 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1840172180 XKJKKHPADXZUSC-KRWDZBQOSA-N 380.401 -1.429 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1840840402 QLHASHLVVLURRC-UGSOOPFHSA-N 392.412 -1.546 30 20 GAED CNS(=O)(=O)CC/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 331262645 MWFHDWGEPBIDRW-UHFFFAOYSA-N 377.467 -2.074 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 517897825 CUTVYDFJCSOJLI-LBPRGKRZSA-N 379.417 -1.320 30 20 GAED C#CCN=c1nc(N2CC[C@](C)(C(N)=O)C2)[nH]c(N2CC[C@](C)(C(N)=O)C2)n1 804681731 CJQRMMPUEOUDPR-ROUUACIJSA-N 386.460 -1.258 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@@H]1O 964476547 KXZFBZWPYWWZBI-NOHGZBONSA-N 381.389 -1.642 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831394152 XQZQGELEKCKLQC-WMLDXEAASA-N 392.416 -1.832 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768714 LLUONZLATRNHSU-IRXDYDNUSA-N 383.401 -1.028 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128230 VDJLTJWJOFMZNE-YVEFUNNKSA-N 379.369 -2.191 30 20 GAED N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835515136 DVGYULBKCGCHKX-HNNXBMFYSA-N 384.414 -1.843 30 20 GAED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840264086 ICWFTLKARMQLLB-PXAZEXFGSA-N 397.453 -1.314 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840264602 HYWFMVCUTQUIBG-LJQANCHMSA-N 389.408 -1.219 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842879142 WPJNZWLIZSRLLB-FWWRYZNZSA-N 377.445 -1.359 30 20 GAED CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 568253135 FUNAUXODZUTMMB-CHWSQXEVSA-N 375.428 -1.131 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC(OCC(=O)N(C)C)C2)c1=O 751946290 TYJWMXUVYKAEOU-UHFFFAOYSA-N 379.417 -1.710 30 20 GAED CS(=O)(=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787756462 ZHCYXJCQBNBWSF-UHFFFAOYSA-N 380.430 -1.415 30 20 GAED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1324711264 RODMMGKNDAGGBH-CQSZACIVSA-N 380.445 -1.013 30 20 GAED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3C(=O)CNC3=O)CC2)nc1 1328698812 DWEBPFQDHVPQBX-UHFFFAOYSA-N 399.411 -1.340 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCO1 1348118340 GYIAWWGRMZAFFS-OAHLLOKOSA-N 377.445 -1.106 30 20 GAED C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588331630 UVTBVOXISSYOPZ-AWEZNQCLSA-N 396.411 -1.229 30 20 GAED O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1785149514 MRKORIBNXGIYSS-AJNGGQMLSA-N 388.424 -1.022 30 20 GAED CNC(=S)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761184 SQAIKWNCAGLMOF-INIZCTEOSA-N 383.474 -1.160 30 20 GAED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1840171939 IDSUYCYJHCNBCA-SJCJKPOMSA-N 380.401 -1.383 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCCN1C(=O)CNC1=O)c1cc[nH]n1 276622302 RCFPEYUVUZBZBL-DEDYPNTBSA-N 380.361 -1.248 30 20 GAED N#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600769388 UKZJXGXRAUOUGC-KBPBESRZSA-N 395.503 -1.158 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@@H]1O 964475812 DRHGBMRMUFTZQT-FQLMCAECSA-N 393.444 -1.441 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1109714210 BQQMLNSRYHGWJR-IKOXMDCHSA-N 393.444 -1.247 30 20 GAED NC(=O)CN1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1350812012 DORVWMBXLWPFDG-UHFFFAOYSA-N 379.442 -1.209 30 20 GAED Cc1cn(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)c(=O)nc1O 1804097307 HUPXWUJOTDHYMH-CLLJXQQHSA-N 388.380 -1.016 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359803 IYJUHSJAYVJHIZ-QAPCUYQASA-N 396.444 -1.102 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840039868 BXXYRMUVFFMEAU-FZKQIMNGSA-N 393.396 -1.943 30 20 GAED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840042989 ARQOXXLUTPXPJJ-HNAYVOBHSA-N 393.440 -1.127 30 20 GAED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846195447 RBVSGUZYZAZACN-UHFFFAOYSA-N 383.426 -1.297 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cn1 275468212 IALVYVRETRMGEA-KGLIPLIRSA-N 386.455 -1.271 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCCS2(=O)=O)cc1 290103054 ICCCPYJGODGJNV-UHFFFAOYSA-N 386.455 -1.012 30 20 GAED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 349466281 ZHMDXAVAHXEMIT-UHFFFAOYSA-N 375.432 -1.101 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1cc[nH]n1 780802511 XBPGKBVWOIUERG-UHFFFAOYSA-N 376.398 -1.006 30 20 GAED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1116465023 ADVHIUUJQUYRJZ-ZDUSSCGKSA-N 379.417 -1.019 30 20 GAED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCOC 1323283386 PVJHJWLMQCJKKC-UHFFFAOYSA-N 391.453 -1.352 30 20 GAED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C 1360714601 QSFIUNBKHHFMNT-MNOVXSKESA-N 385.450 -1.295 30 20 GAED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1515114467 NNWRXHAQMQOQON-LLVKDONJSA-N 379.460 -1.376 30 20 GAED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 1602722481 UEZJBMCFZMJGIG-ZLKJLUDKSA-N 386.416 -1.238 30 20 GAED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1786701121 QADFEJBDXMPQDL-AVGNSLFASA-N 377.401 -1.178 30 20 GAED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840567805 MZUGKLDUCARPAX-SFHVURJKSA-N 381.429 -1.129 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842942449 CWPCTILDHHHLMG-SCXUMTSISA-N 377.445 -1.359 30 20 GAED CCOC(=O)CON=C(C(=O)NC1CC(NS(C)(=O)=O)C1)c1cc[nH]n1 801459357 UCBPACDTNHYJDY-UHFFFAOYSA-N 387.418 -1.110 30 20 GAED COCc1noc(CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)n1 1116929281 CWNPKBIIADSLGC-LBPRGKRZSA-N 386.434 -1.197 30 20 GAED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(N)=O 1319563442 QZIGWXHRIJMODT-UHFFFAOYSA-N 386.437 -1.583 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)C1=O 1588655224 ZJJOBRZSNAPEPJ-UHFFFAOYSA-N 399.371 -1.233 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588723300 KOPGCRQITHFSOQ-WZRBSPASSA-N 375.389 -1.007 30 20 GAED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835597572 KBYZUNDQCOADMJ-OWQGQXMQSA-N 381.429 -1.096 30 20 GAED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040336 VICGORRDZYTDFX-MAUKXSAKSA-N 382.413 -1.062 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262423 MKUNPEKAASDLFZ-QGZVFWFLSA-N 376.369 -1.719 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 281983190 VESASJUMUMVDPP-KOLCDFICSA-N 379.398 -1.029 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCO1 409482877 GQCQHVYTTIFHNI-STQMWFEESA-N 378.476 -1.045 30 20 GAED C[C@H](C#N)C(=O)N1C[C@@H](NCC(=O)NCc2cnn[nH]2)[C@H](c2cnn(C)c2)C1 1575176682 HANABUYJSKAIFW-BYCMXARLSA-N 385.432 -1.102 30 20 GAED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)O)CC1 1602702872 VABRFLDVMWCKEZ-NSHDSACASA-N 380.448 -2.135 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)CC1 1835342658 IAJUAVPQVPKPKR-UGSOOPFHSA-N 393.444 -1.661 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575730 UKVZJLFVDNJHNU-DYVFJYSZSA-N 398.464 -1.273 30 20 GAED COCC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349451974 NLGHZTOUTXIJJF-UHFFFAOYSA-N 375.428 -1.130 30 20 GAED N#CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 473374032 OOQUDCUHBUXGSO-UHFFFAOYSA-N 378.410 -1.092 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 742289961 HVRFAIXSSHLCOX-UHFFFAOYSA-N 383.430 -1.888 30 20 GAED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1116465022 ADVHIUUJQUYRJZ-CYBMUJFWSA-N 379.417 -1.019 30 20 GAED C#CCN1CCN(C(=O)Cn2cnc3c(c(S(C)(=O)=O)nn3C)c2=O)CC1 1331557819 QXJWZIGWARIGMS-UHFFFAOYSA-N 392.441 -1.689 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785156485 VDNUMJUGFKWUQY-YFKTTZPYSA-N 392.368 -2.348 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837522270 DKSOKEKMAYTMSE-FUHWJXTLSA-N 383.445 -1.331 30 20 GAED CN1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1=O 349487715 YAYJNUGXIOWABD-LLVKDONJSA-N 378.476 -1.156 30 20 GAED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)n1 600765590 CLDLVYUQFBMWHG-RYUDHWBXSA-N 390.443 -1.548 30 20 GAED CS(=O)(=O)NC(=O)CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 800552464 XOUMGRVFXLOQQC-UHFFFAOYSA-N 388.427 -1.693 30 20 GAED NC(=O)[C@]1(O)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 803162582 YSKSZWABDMHKGZ-INIZCTEOSA-N 380.426 -1.046 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1CCS(=O)(=O)CC1 862734514 KRHVQJCQOUJFJC-NSHDSACASA-N 386.455 -1.013 30 20 GAED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NC1CCN(S(C)(=O)=O)CC1 1592341231 SYDUAFYREFOYPT-UHFFFAOYSA-N 393.433 -1.217 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552533 RNLJGWZEYXKZAC-ABHRYQDASA-N 376.413 -1.120 30 20 GAED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1791264408 LGTYSHSQEHNECJ-RHYQMDGZSA-N 387.458 -1.173 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830967980 BTXGVNLSWMBYRB-GOSISDBHSA-N 388.380 -1.437 30 20 GAED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1831487786 RVHUVUPKPZWVBB-BBRMVZONSA-N 387.506 -1.120 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840040973 JARAUCAFOJAZNE-GOSISDBHSA-N 388.380 -1.437 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCCC[C@@H]2C(N)=O)c1=O 412994252 ZJCPYZVBCBGILK-GFCCVEGCSA-N 377.401 -1.590 30 20 GAED Cn1c(N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)c(C#N)c(=O)n(C)c1=O 593328828 WTYNVKPRWZWGLS-JTQLQIEISA-N 375.385 -1.142 30 20 GAED C=CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCS(=O)(=O)C1 619565313 AKPDERNQDSAIRQ-NSHDSACASA-N 395.441 -1.365 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1=O 623690298 BQPMBNCEWRXLLH-NSHDSACASA-N 387.414 -1.375 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(CC(N)=O)CC2)cc1 880162763 UAMSEEZKEMVVLH-UHFFFAOYSA-N 379.442 -1.098 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 892838587 OWAZDCMAEXCWAG-HUUCEWRRSA-N 387.506 -1.110 30 20 GAED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@@H]1CCCO1 1116669644 HDPGKKPCNQAOMB-CABCVRRESA-N 390.444 -1.204 30 20 GAED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1220347340 NFKSMBJAEFGMTH-LTIDMASMSA-N 379.457 -1.033 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1323376112 CLTIJVJGDQMXEP-UHFFFAOYSA-N 380.430 -1.733 30 20 GAED C[C@@H](OCc1cnn[nH]1)C(=O)NC1(CNCC(=O)NCC#N)CCOCC1 1575841954 DFFDRHTVQXQHEW-GFCCVEGCSA-N 379.421 -1.395 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1792489737 NQBNKLQCEWBGRW-REBHVZSLSA-N 392.456 -1.843 30 20 GAED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799140664 HQOSACUCXJLUMZ-PFFSRIRZSA-N 395.456 -1.192 30 20 GAED CN1CCN(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834760777 KERNFUAOSNCPRS-SFHVURJKSA-N 379.461 -1.396 30 20 GAED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CC(=O)N1 349502747 OTOGWTWIRZLCKO-NSHDSACASA-N 377.448 -1.794 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](CO)[C@@H](O)C1 349517296 ZXJDJQRPFOUFDY-STQMWFEESA-N 395.503 -1.301 30 20 GAED C#CCN1CCN(C(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 748816150 CXHZURHLYYOHPY-HOTGVXAUSA-N 384.502 -2.149 30 20 GAED C=CCNC(=O)CN1CC2(C[C@@H](NC(=O)[C@H](C)OCc3cnn[nH]3)CO2)C1 1575103527 FNWLYSBXIDVCCN-QWHCGFSZSA-N 378.433 -1.029 30 20 GAED CCNC(=S)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782645068 BBSMTPWHVFDMHB-INIZCTEOSA-N 382.442 -1.612 30 20 GAED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1792175938 WUTRUHSCDNZVRL-ULQDDVLXSA-N 381.473 -1.334 30 20 GAED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]nnc3n2)C1 1796107602 WYPVLWGPVMJQOS-JJLQDPRZSA-N 399.411 -1.018 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800773781 SOWPXBCQNNCHSN-KEODLESXSA-N 388.336 -1.534 30 20 GAED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840321697 KZLLQAJHJOVRNX-INIZCTEOSA-N 383.357 -2.113 30 20 GAED C[C@@H](O)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 291521431 VBPQKSQWHMYKRB-GFCCVEGCSA-N 380.426 -1.112 30 20 GAED N#Cc1ccc(S(=O)(=O)CCNCCS(=O)(=O)N2CCOCC2)nc1 818989817 URKMUSOWBVYQME-UHFFFAOYSA-N 388.471 -1.021 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 969649478 ICLPHOMIEZSMHM-PLPKTUSISA-N 391.428 -1.183 30 20 GAED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1118205127 WBRNMYUDHMGFHD-CYBMUJFWSA-N 377.401 -1.429 30 20 GAED N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1131564134 CNCFFUKFHHLTEJ-CTASWTNQSA-N 377.445 -1.267 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 1757181503 RAPQXFNERJJVSY-LOUJCGABSA-N 383.445 -1.192 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835748946 BLUQURUUTIFTHW-SJKOYZFVSA-N 396.400 -2.876 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1837550264 VWXBFMAEALNSTP-GOSISDBHSA-N 390.396 -1.198 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2)C(=O)O 1840159782 NKZRKFYXLOSDPW-OZVIIMIRSA-N 389.474 -1.176 30 20 GAED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C(N)=O 349496265 GTIIXVIGZOBRJG-VHSXEESVSA-N 384.505 -1.560 30 20 GAED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)n2)O1 1130808991 BAZLGLLSDSROBR-WUHRBBMRSA-N 376.417 -1.103 30 20 GAED C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1131567167 CFZSIPFOXPKKDH-DLTWYDFYSA-N 376.457 -1.157 30 20 GAED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1323085592 XLNYFGGNCRGFQG-OLZOCXBDSA-N 392.503 -2.237 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1343082611 ZQXUQQPILUEMFR-UONOGXRCSA-N 389.474 -1.043 30 20 GAED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)CC1 1573974003 MNBURPXTFWTBAG-GFCCVEGCSA-N 387.404 -1.179 30 20 GAED C[C@@H](C#N)C(=O)NCCCN1CCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575175558 BKHIWGXZPJOGPF-ZDUSSCGKSA-N 390.448 -1.379 30 20 GAED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](N)CN)c2c1 1796342287 BVGXJDLYSOOILX-LMWOUKEDSA-N 397.439 -1.076 30 20 GAED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1834766979 ISPNAVLXVUQJIK-CJNGLKHVSA-N 385.442 -1.066 30 20 GAED CN(CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(=O)C(=O)O 1834767872 ZDIAQGUYZWGLLN-MRXNPFEDSA-N 382.373 -2.101 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841054836 MRONLAKWWDWNDR-CHYADLBTSA-N 392.456 -1.301 30 20 GAED N#Cc1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 415869365 ZYHSBMGIDIRXOK-UHFFFAOYSA-N 377.426 -1.057 30 20 GAED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 538554576 AGADHSSFMMIZKR-UHFFFAOYSA-N 399.429 -1.303 30 20 GAED COCCN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1109361201 ONHJPJBIRYXHRW-KBXIAJHMSA-N 377.445 -1.157 30 20 GAED CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1118987472 VMXFGIQPMDFWNC-HNNXBMFYSA-N 376.461 -1.582 30 20 GAED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1194110172 XBHWWRWZYJNDGK-WFFHOREQSA-N 379.335 -1.757 30 20 GAED C#CCNC(=O)CN1CC[C@@](O)(CNC(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1575004203 BBYXBUSNURYLCJ-GOSISDBHSA-N 383.412 -1.217 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782961651 QNXAEYQTODVFNN-BLLLJJGKSA-N 384.410 -1.519 30 20 GAED CN(CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(=O)C(=O)O 1783566370 VFRLBGPOFLYQHF-INIZCTEOSA-N 381.341 -2.553 30 20 GAED C#CCN(CC(=O)NC(=O)N[C@H](C)COC)CC(=O)NC(=O)N[C@H](C)COC 298430304 NKANVUUUAQGPOP-CHWSQXEVSA-N 399.448 -1.357 30 20 GAED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349620966 QCQUINYNMYVWJV-GFCCVEGCSA-N 393.491 -1.409 30 20 GAED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(O)c1O 771897675 JTCCCCVZZFHPJI-UHFFFAOYSA-N 384.370 -1.184 30 20 GAED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 1321229553 CTWRAHUBCZVWCC-RYUDHWBXSA-N 380.492 -1.004 30 20 GAED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(-c3cnn[nH]3)cn2)C1 1575004809 MNXTZKSYKXAZLY-CABCVRRESA-N 397.395 -1.692 30 20 GAED C=CCN1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O 1588655181 XSTPXDVNKAVERI-HZSPNIEDSA-N 386.416 -1.243 30 20 GAED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCS(=O)(=O)CC1)C2 1781690639 FNTLYOAXWCYKBJ-CRAIPNDOSA-N 397.497 -1.136 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784480238 SRTBDVUTWOVHGZ-UGUYLWEFSA-N 391.472 -1.156 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641242 KEVCEARLUMGAFU-XYFZXANASA-N 381.429 -1.323 30 20 GAED C=CCOC[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OC 481773708 FFVUGSWDRLUWIM-SNVBAGLBSA-N 379.373 -1.706 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)c1C#N 599962884 XDXCXCPVCHEXGE-ZDUSSCGKSA-N 375.433 -1.647 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 728571015 TXTVRRKUHWLSPS-IBGZPJMESA-N 385.468 -1.043 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 1117433362 DHDJGXOEZXNARN-NWDGAFQWSA-N 394.457 -1.065 30 20 GAED C[C@H](OCc1cnn[nH]1)C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 1575823837 VBPCIZCPLPAYSF-GXTWGEPZSA-N 379.421 -1.443 30 20 GAED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783891155 ZRXDUQBTTJRSLH-GWCFXTLKSA-N 381.391 -1.141 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1791072765 ALPMBEVFPVYOSP-XUXIUFHCSA-N 377.397 -1.420 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1832475504 KURUHVCDHVISKG-MRXNPFEDSA-N 379.373 -2.092 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1840171941 IDSUYCYJHCNBCA-YVEFUNNKSA-N 380.401 -1.383 30 20 GAED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2C)c1=O 758056299 UPVCHFPAPPLCTD-GFCCVEGCSA-N 385.449 -1.069 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1323982355 XIMMHHULLGTVNU-LLVKDONJSA-N 381.476 -1.756 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782961660 QNXAEYQTODVFNN-LRDDRELGSA-N 384.410 -1.519 30 20 GAED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1788194971 BPUGBVHJJWXGMS-JYJNAYRXSA-N 392.456 -1.699 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1800778243 IPPQIODIEKBJTR-GNXNZQSNSA-N 384.352 -1.585 30 20 GAED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1825665140 VNVSWZHOMXRFFO-QMMMGPOBSA-N 375.370 -1.170 30 20 GAED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1825669698 QHZITUMHVMBDCY-YWVKMMECSA-N 378.410 -1.134 30 20 GAED Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cs1 1835798427 WCHZWHPJAPQHLL-INIZCTEOSA-N 394.409 -1.117 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(n3cc(C(=O)OC)nn3)C2)C1=O 500506081 WIDXQBJXBMZSKD-UHFFFAOYSA-N 376.329 -1.575 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1129065328 VXPWGERIRNBLTN-LVQVYYBASA-N 389.460 -1.912 30 20 GAED C#CCNC(=O)[C@@H](C)N1CCN(CCNC(=O)CCCc2cnn[nH]2)CC1 1574986314 ZDUHGKWWHLRNSR-OAHLLOKOSA-N 375.477 -1.001 30 20 GAED O=C(C#CC1CC1)N1CC(S(=O)(=O)N2CCN(Cc3cnn[nH]3)CC2)C1 1577743167 RCMAKNSECWDMCB-UHFFFAOYSA-N 378.458 -1.124 30 20 GAED NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021151 AWIJZWYIIVVZIY-PBGVMVHZSA-N 380.449 -1.044 30 20 GAED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)cc1 1829898375 ARZHEROTRMGNIO-IBGZPJMESA-N 389.408 -1.132 30 20 GAED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1834164118 YQINUEFVGWUEDV-GOSISDBHSA-N 390.396 -1.113 30 20 GAED O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1839866598 GJCZOWXZRHZIMJ-BEFAXECRSA-N 375.425 -1.008 30 20 GAED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839920398 XUJWFZVIOWGRJH-IBGZPJMESA-N 397.472 -1.857 30 20 GAED C[C@@H](CS(C)(=O)=O)/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 330754130 FAIOZIGFZUBXEI-ZDUSSCGKSA-N 376.479 -1.190 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 409542175 DQICBCDXTOZPMF-UHFFFAOYSA-N 389.478 -1.238 30 20 GAED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1220524542 VZFYMNXLJKPAOG-PNBKFKSVSA-N 375.429 -1.801 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 1320690326 QYWOPOXHALYTHC-HNNXBMFYSA-N 384.502 -1.611 30 20 GAED C#C[C@H](NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@@H]1CCCO1 1322861637 KDNUDGSZHYWQIH-GJZGRUSLSA-N 385.486 -1.091 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1783563863 DDHAQLZMFJFUGF-GOSISDBHSA-N 386.364 -1.062 30 20 GAED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1O 1791073946 FHPUNVLPKFOXBE-GVXVVHGQSA-N 376.369 -1.193 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)CCN1Cc1ccccc1 410591494 NODYIWWMTKEMBN-OAGGEKHMSA-N 395.419 -1.046 30 20 GAED C[C@@H](O)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 571728283 RGSZJEGZSACYMY-GFCCVEGCSA-N 380.426 -1.112 30 20 GAED C#CC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CC#C)C(=O)OC)O1)C(=O)OC 854910571 XOKPZVFOWMZWJX-XDQVBPFNSA-N 378.381 -1.104 30 20 GAED CN1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1520615483 ZGRNGBQBQIDUMK-UHFFFAOYSA-N 379.442 -1.273 30 20 GAED C=CCOCC(=O)NC[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)CCO1 1575110566 UCTBJINVIVGXMF-CYBMUJFWSA-N 380.405 -1.643 30 20 GAED Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)c(=O)nc1O 1801992076 KRLRJLCRRVLDQR-CLLJXQQHSA-N 388.380 -1.016 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CCN(S(N)(=O)=O)CC1)c1cc[nH]n1 276590231 MXMMMSJLCWGINB-SFQUDFHCSA-N 388.406 -1.959 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1=O 284662226 UBNSVVOGLNNXFU-CQSZACIVSA-N 379.461 -1.488 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349485712 AVASCHQCPCHYCY-LLVKDONJSA-N 379.464 -1.799 30 20 GAED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)(C(N)=O)C1 805077994 NUCITLKNTAYXDC-JTQLQIEISA-N 389.434 -1.480 30 20 GAED N#CCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685658 SWQADAFMTQJBAO-UHFFFAOYSA-N 394.409 -1.006 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](OC)C1 944403997 RAWSHAWFNMLXEP-APIJFGDWSA-N 380.445 -1.649 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCOCCS(C)(=O)=O)C1=O 1346703304 ZLEKTMYTEOHPJC-GFCCVEGCSA-N 375.447 -1.591 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@H]1O 1574986243 XFZPYPBAVPTZNE-OWCLPIDISA-N 390.444 -1.503 30 20 GAED Cc1nc2n(n1)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C2 349527494 RTTBGTSKVGOZIB-UHFFFAOYSA-N 376.464 -1.093 30 20 GAED COCCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 800036049 MSWYNEILRYKANU-UHFFFAOYSA-N 384.480 -1.655 30 20 GAED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC(O)(CC#N)C3)CC2)o1 1581411153 NJLKRLYOLSSNQO-UHFFFAOYSA-N 387.404 -1.228 30 20 GAED N#CCSCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1592679907 AEUZCBZCSHYTSK-JTQLQIEISA-N 375.418 -1.025 30 20 GAED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787521996 PRLLNNKZMDDUTN-UNQGMJICSA-N 379.413 -1.079 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832945395 WESUOUMULOKZCY-SFHVURJKSA-N 390.396 -1.113 30 20 GAED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)C2=O)cc1 289118294 QPCGBBPWTMGEFR-CABCVRRESA-N 399.407 -1.117 30 20 GAED N#C[C@H]1COCCN1CC(=O)N1CCN(C(=O)CN2CCOC[C@@H]2C#N)CC1 440732169 MCCOWRNGDKEFQT-HOTGVXAUSA-N 390.444 -1.894 30 20 GAED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)CCOCCO 862248369 WESDOQFENURGGM-UHFFFAOYSA-N 385.442 -1.055 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1117274927 NPYCTDGVEJFCGX-UHFFFAOYSA-N 380.430 -1.733 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1194825444 VAKNLZWQUPPXMP-ZHMBSYLPSA-N 380.445 -1.025 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1323781772 XKKWUUMQYPBLGR-GFCCVEGCSA-N 395.503 -1.509 30 20 GAED C#CCO[C@H](C)C(=O)N1CC2(CCN(C(=O)CC(=O)NCc3cnn[nH]3)C2)C1 1575004354 DXIQVRMZXGOBIC-CYBMUJFWSA-N 388.428 -1.090 30 20 GAED CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)C(=O)O 1782746829 KGQRQUBWEPNYNF-QGZVFWFLSA-N 378.385 -1.337 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840359553 LPTUTWLEYFNJHV-QGZVFWFLSA-N 391.384 -1.787 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918214 MNEIIAJLKPGJIP-GUYCJALGSA-N 384.433 -1.298 30 20 GAED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 274896955 CUKAPEKAXRCZCR-UHFFFAOYSA-N 397.395 -1.005 30 20 GAED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 846260333 YDGQOGNCGPUERR-KGLIPLIRSA-N 380.426 -1.061 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1OC 946818929 RGNTVOLTOWSNTD-CHWFTXMASA-N 379.373 -1.171 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 962934661 SAMOJDCQYIZEOM-WYUUTHIRSA-N 375.385 -1.532 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@@H]1O 964610459 CYQBPPPKQJAWLF-ZNSHCXBVSA-N 379.373 -1.435 30 20 GAED CC(C)CN1CCO[C@@H](CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)C1 1589633291 VJEUFBUWZRVJLC-NSHDSACASA-N 388.436 -1.010 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785624357 WRQLVJFPLVMMQT-CWIOURORSA-N 379.417 -1.657 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631408 HAUHSMOZLCRZQZ-XYFZXANASA-N 380.445 -1.793 30 20 GAED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040827 ABMZUHZPRYUDKK-GOSISDBHSA-N 395.412 -1.601 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN([C@@H](C(=O)O)C(C)C)C2=O)C1=O 479006874 PWWPBKXSLCHIDR-CMPLNLGQSA-N 394.384 -1.211 30 20 GAED N#CCNC(=O)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 508942807 QBQDCDLVZKJXQP-STQMWFEESA-N 399.407 -1.222 30 20 GAED C=C(CNC(=O)CN1CCN(C)C(=O)C1)CNC(=O)CN1CCN(C)C(=O)C1 620747859 HQRHIXGWRUXGOJ-UHFFFAOYSA-N 394.476 -2.677 30 20 GAED C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)N[C@H](C#C)[C@@H]1CCCO1)[C@@H]1CCCO1 847759485 UZKKTIQYYFLZFW-FZKCQIBNSA-N 396.465 -1.005 30 20 GAED C[C@@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)n1cnc(C#N)n1 854833768 USLDJDDMRWXMNW-JTQLQIEISA-N 389.463 -1.173 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 1117363577 LTRGMCDTMJTWNO-CHWSQXEVSA-N 388.446 -1.658 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1323982356 XIMMHHULLGTVNU-NSHDSACASA-N 381.476 -1.756 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O 1325906808 PZXGVDVNHBHGFZ-OLZOCXBDSA-N 386.474 -1.228 30 20 GAED C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)n1cnc(-c2nn[nH]n2)n1 1573651667 OCFFSMMUMMYEQO-RVBZMBCESA-N 377.390 -1.584 30 20 GAED C=CCOCC(=O)NC[C@@H]1CCC2(CN(CC(=O)NCc3cnn[nH]3)C2)O1 1575110495 RJWBHHARQSNYAL-AWEZNQCLSA-N 378.433 -1.027 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785631690 YCZCJUNSYHORCR-QGZVFWFLSA-N 382.417 -1.006 30 20 GAED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1799394130 XJDNACJZSKEOIC-USRAEIGSSA-N 397.476 -1.030 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3noc(C)n3)CC2)C1=O 264718167 BPHAUMYKLHAKAM-UHFFFAOYSA-N 376.373 -1.001 30 20 GAED COC(=O)CN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)N(CC#N)CC(=O)OC)O1 427472228 DXPKNEMEFWMTTF-TXEJJXNPSA-N 380.357 -1.416 30 20 GAED COC(=O)CCNC(=O)CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599216992 XUSITHYYRRHGMX-UHFFFAOYSA-N 392.372 -1.544 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1O 1023942181 ONPGEXVASVSTDT-SFTQSGBHSA-N 392.416 -1.954 30 20 GAED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)o1 1791076189 YJQQTXAGMCIXQV-AVGNSLFASA-N 376.369 -1.012 30 20 GAED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040058 NAWGPXKYLSKMCR-SFHVURJKSA-N 395.412 -1.555 30 20 GAED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042404 SUAMBISXXDKNSP-SFHVURJKSA-N 388.380 -1.057 30 20 GAED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1840159636 JHPOSQGITPOQDR-HWWQOWPSSA-N 388.490 -1.646 30 20 GAED Cn1c(NCCS(=O)(=O)NC[C@H]2CCCCO2)c(C#N)c(=O)n(C)c1=O 264881523 RAXMXACGEGFPHS-LLVKDONJSA-N 385.446 -1.144 30 20 GAED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 329147989 BDRUJBTUHBYDBW-HUUCEWRRSA-N 376.461 -1.679 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 410992023 WBUPSJRIAXFTLT-HZPDHXFCSA-N 377.489 -1.015 30 20 GAED C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)NC1(C#N)CCC1 787575344 LXEIXQMAIDXHIC-JTQLQIEISA-N 388.384 -1.072 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1C(=O)CNC1=O 1109175508 NVLVHKBDOFDJNT-RDBSUJKOSA-N 375.429 -1.211 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)nn1 1602882240 DGUUBAIOEONMCD-KOLCDFICSA-N 383.376 -1.586 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833170429 GGPOAKKAQBROMF-GOSISDBHSA-N 388.380 -1.437 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839668958 YNOPNLJRIAMWMP-QGZVFWFLSA-N 391.384 -1.069 30 20 GAED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1848150688 NUNFDYZLAFFVFX-RYUDHWBXSA-N 384.396 -1.731 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 727007170 IQIVTTSYZWUPSI-SECBINFHSA-N 387.418 -1.050 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](S(=O)(=O)NC)C2)c1=O 733299249 GMFRYTFKFKQOQK-ZDUSSCGKSA-N 399.473 -1.485 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 848961427 WSANXNCYOKDLSW-CYBMUJFWSA-N 390.487 -1.343 30 20 GAED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CCC(=O)N2)CC1 1575004758 LIKRPSWXCNKWJX-OAHLLOKOSA-N 387.444 -1.374 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831425213 RSTRIOMHZKKGBW-RHSMWYFYSA-N 394.432 -1.279 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513893 UZXBSNUDKTUGAW-AWEZNQCLSA-N 392.412 -1.246 30 20 GAED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 598024990 CFXLPHGBMKHVNZ-CHWSQXEVSA-N 387.439 -1.235 30 20 GAED C#CC1(O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1588333424 PWSQEDYQRVXUQW-SNVBAGLBSA-N 376.398 -1.260 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1829771224 MNCACKZTYBQOFO-LRQNFFAQSA-N 381.429 -1.318 30 20 GAED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830631159 AKUUSVDVOLXCNM-CRAIPNDOSA-N 382.413 -1.062 30 20 GAED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831517915 KCOJNMLVCNHNMW-FDQGKXFDSA-N 382.413 -1.062 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840044677 RAOUMLHBBQJGOD-SJCJKPOMSA-N 379.369 -2.333 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 502258491 OCZQHCXULZLOGH-GJZGRUSLSA-N 391.472 -1.298 30 20 GAED Cn1cc(S(=O)(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O 1116853395 HRGRXJYAQZYYFV-SNVBAGLBSA-N 392.459 -1.295 30 20 GAED CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1710988235 RUSCRILDZRBYLN-NEPJUHHUSA-N 382.446 -1.003 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795579717 IZTHVXNJKNQXKG-HLPPOEQASA-N 393.488 -1.011 30 20 GAED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834856675 DMNAPZVTJWOCJP-KRWDZBQOSA-N 382.369 -1.516 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(N)=O)C(=O)C1 458055208 VJJYDUOJABVOFT-NSHDSACASA-N 393.425 -1.619 30 20 GAED C[C@@H]1COCCN1CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342097934 MGUKSZLEGVFNPQ-DKASORFFSA-N 379.417 -1.534 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802160781 UQIHWEXWAZRIPF-OAILTHCBSA-N 379.417 -1.897 30 20 GAED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(N)=O 1802165276 YBCXJVQFJLMLSR-JJLQDPRZSA-N 382.417 -1.246 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840039740 GMTQYQFLMHSPOV-MEDUHNTESA-N 381.341 -2.361 30 20 GAED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCN(C(C)(C)C(N)=O)CC1 261694897 ITIPMUXUNNENPR-CYBMUJFWSA-N 388.538 -1.133 30 20 GAED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 502338159 LKFWXXUTQMRLSI-UHFFFAOYSA-N 378.480 -1.215 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1 580329201 PACCMAGAHIKJRR-ZDUSSCGKSA-N 375.428 -1.082 30 20 GAED CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](CN)C1 580413289 CKKNKNWQUKTFFR-IAGOWNOFSA-N 398.467 -1.123 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](CNC(C)=O)C2)c1=O 735484804 BWLBQEYQBPTAPE-AWEZNQCLSA-N 379.417 -1.662 30 20 GAED C[C@H](CC(=O)N1CC[C@](O)(C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 803161440 HLYXYABZFQPPGG-QLJPJBMISA-N 380.426 -1.048 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@H]2O)nn1 963310582 QUYINBLAIBEBHD-PLPKTUSISA-N 391.428 -1.183 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(O)nnc2O)C1 1024961459 UGHNQZVYXNEJAQ-KKOKHZNYSA-N 381.389 -1.642 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@@H]2CS(=O)(=O)C[C@@H]21 1108474642 VKIQMLNGGNGSOO-ZJOBFFGXSA-N 383.470 -1.365 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CCC(N)=O)NC(C)=O 1109849552 WQYFVXZGZBNNMG-KBXIAJHMSA-N 379.461 -1.220 30 20 GAED CS(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 1341849782 JZLLGCXZQUKZFY-RYUDHWBXSA-N 391.471 -1.376 30 20 GAED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C(=O)O 1782010865 ZGLKQDYEFRTTDK-VEVIJQCQSA-N 395.412 -1.349 30 20 GAED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072702 WBPJXXFHOSSIIU-IHRRRGAJSA-N 379.413 -1.031 30 20 GAED CNS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 561945769 BVYLRGOTEYLSBB-OAHLLOKOSA-N 386.522 -1.239 30 20 GAED C#CCN1CCN(C(=O)COCCOCC(=O)N2CCN(CC#C)CC2)CC1 733160971 HQQNDTCBHUFBCK-UHFFFAOYSA-N 390.484 -1.426 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 825968092 PRSAFTQBWJSBKL-UHFFFAOYSA-N 380.426 -1.453 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)O)CC1 833365692 PPDAYPQBKIWXPC-UHFFFAOYSA-N 383.430 -1.138 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2O)nn1 1023769430 QUYINBLAIBEBHD-QZPUYBJASA-N 391.428 -1.183 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326398849 ZGOZPBYDPWWORD-HNNXBMFYSA-N 387.462 -2.443 30 20 GAED N#CC1(NS(=O)(=O)CCCCS(=O)(=O)N2CCCNC(=O)C2)CC1 1332215857 VHXXXKQOMPISQF-UHFFFAOYSA-N 378.476 -1.106 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CC(=O)O)CC2)CC1 1588431463 PTCOSFDTWSEWDZ-UHFFFAOYSA-N 387.462 -1.670 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566484 CFXSDCJZIRFLPN-GUYCJALGSA-N 381.385 -1.945 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1791077699 RRSRKUURLSQBNV-KKUMJFAQSA-N 397.428 -2.659 30 20 GAED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N)C(=O)C(=O)O 1792635970 AONZAOPDCKLYOE-PTEHBNRSSA-N 380.401 -1.331 30 20 GAED C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349478927 TXDWWQKHSLICED-NSHDSACASA-N 378.476 -1.156 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349538238 OHGAGBCESCMASI-UHFFFAOYSA-N 378.476 -1.154 30 20 GAED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OCC(=O)NCC#N 820450394 JZRYJTPLYSZQJG-VIFPVBQESA-N 393.385 -1.284 30 20 GAED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920409198 VUOZJKMKTPNJEJ-QWHCGFSZSA-N 379.504 -1.188 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O 1116004365 LRPLKUMJMZMBSD-CYBMUJFWSA-N 391.428 -1.096 30 20 GAED N#Cc1cn(CCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=O)nc1O 1463723632 QOTKKDDYDCZNLL-ZDUSSCGKSA-N 395.441 -1.458 30 20 GAED COCCN(CCC#N)S(=O)(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1606884527 GAOJAKGNMGOYTL-OAHLLOKOSA-N 390.462 -1.045 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128229 VDJLTJWJOFMZNE-SJCJKPOMSA-N 379.369 -2.191 30 20 GAED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918213 MNEIIAJLKPGJIP-DYVFJYSZSA-N 384.433 -1.298 30 20 GAED CCn1cc(C#N)c(=O)n(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)c1=O 295257685 NIVXDWUWZBUXTD-ZDUSSCGKSA-N 398.441 -1.436 30 20 GAED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588127977 WEJDZICIVYVGEI-AWEZNQCLSA-N 390.488 -1.098 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 728533909 BQOMOAHZLHQIKY-LBTBCDHLSA-N 384.436 -1.313 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCNC(=O)C1 767626023 GCEKPPGDHMNMFY-LLVKDONJSA-N 394.409 -1.273 30 20 GAED O=C(CNCP(=O)(O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795519340 QPYUXNRWDSJIBZ-YWVIFJGQSA-N 385.357 -1.286 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800576483 WVJIEDFJGBZBBB-XLMAVXFVSA-N 397.472 -2.099 30 20 GAED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349622836 RRPPUKVCQDSPMX-RYUDHWBXSA-N 378.476 -1.108 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2O)O1 970620702 WJYYKPAYCFTBSD-BARDWOONSA-N 389.412 -1.176 30 20 GAED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)nn1 1025695473 CVJYSHZXPSPSBB-KYEXWDHISA-N 390.444 -1.120 30 20 GAED N#Cc1cn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=O)nc1O 1587307732 XQGDYLASBDMSLF-LBPRGKRZSA-N 381.414 -1.848 30 20 GAED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cnnn1 1840043986 GVIOIMYXKJRRCR-MLGOLLRUSA-N 392.372 -2.222 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCNC(=O)C3)CC2)cc1 25173998 FOORHFSWWCDJHO-UHFFFAOYSA-N 391.453 -1.177 30 20 GAED C#CCN1CCN(C(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 155955670 WVMUBIUPFHMOCW-UHFFFAOYSA-N 382.530 -1.041 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608890696 QYZIZCAHZTWKIW-UHFFFAOYSA-N 393.469 -1.019 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)N(CCOC)CCOC)CC1 728590213 WZUZMXODYOMHFT-UHFFFAOYSA-N 376.479 -1.807 30 20 GAED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CC3)n(C)c2n(C)c1=O 793195801 OLEUSGQJFAXOFD-UHFFFAOYSA-N 379.398 -1.061 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC[C@H]2CC(=O)OC)c1=O 808213643 SLNJLYGBGYGORM-CYBMUJFWSA-N 380.401 -1.235 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1O 1023941795 BCQVIGHYGDKCJT-ASEORRQLSA-N 392.412 -1.231 30 20 GAED C#CCN1CCN(C(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CC1 1319011732 GOPMEKGQHNTJOY-UHFFFAOYSA-N 382.442 -1.737 30 20 GAED CC(C)(CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1CCOCC1 1346266469 ZVUCKDBXHAYRQN-PFONDFGASA-N 393.444 -1.144 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004792 MJPJJXWQHSRNNB-CHWSQXEVSA-N 376.417 -1.044 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793340593 LXSJQKLMVKQILL-JFILPPLUSA-N 392.412 -1.834 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213058 JUXHIHRUHXZIET-KXBFYZLASA-N 392.456 -1.551 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831390973 BPPLCZIUPVEUNK-KBXCAEBGSA-N 391.428 -1.077 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840844663 HHHJVVAOELSHRE-LJQANCHMSA-N 389.408 -1.219 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 728536403 ZHGKSVFMQOMYLS-UHFFFAOYSA-N 382.486 -1.528 30 20 GAED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785035632 XSYGKKHWLZFDET-KKUMJFAQSA-N 398.485 -1.390 30 20 GAED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832066227 BJBFZCRDIZTOEV-KBXCAEBGSA-N 379.413 -1.375 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1834389817 ROMUVOXJTRWORE-QGZVFWFLSA-N 376.369 -1.573 30 20 GAED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1840168955 AKPNLBZYEXNEIN-BXWFABGCSA-N 379.457 -1.031 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 349478378 SCGJIDZQVHHBBB-CYBMUJFWSA-N 392.503 -1.567 30 20 GAED CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637887 QVZWDSCPDHLVAR-UHFFFAOYSA-N 395.488 -0.846 30 20 GAED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)N(C)C 596614771 XNFJELWSIZSOHJ-LBPRGKRZSA-N 396.477 -1.036 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(C(=O)OCC)CC2)CC1 728573852 XYNJBVWYXVLSIX-UHFFFAOYSA-N 379.461 -1.346 30 20 GAED CON(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942510 NZHQKQUKVLEXKH-UHFFFAOYSA-N 376.416 -1.213 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)CC1 966004662 ORCUTRBTVDHSHL-TWMKSMIVSA-N 390.484 -1.079 30 20 GAED C#CCN1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094645605 RSVWSGIVPJBQKE-BARDWOONSA-N 383.470 -1.258 30 20 GAED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1196138367 NFKSMBJAEFGMTH-WCXIOVBPSA-N 379.457 -1.033 30 20 GAED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664760 OGXGYTLOVUISGY-BDAKNGLRSA-N 393.425 -1.264 30 20 GAED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1840167197 CFKZOAALEVMAJN-KXBFYZLASA-N 394.472 -1.161 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 375884035 UWXDKWIWROYBPH-HNNXBMFYSA-N 384.502 -1.058 30 20 GAED CN(C)C(=O)CN1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 531143018 LAKJKTJPJQXDII-UHFFFAOYSA-N 394.520 -1.233 30 20 GAED CNS(=O)(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 573026862 AJIOAYIMESBVHJ-CYBMUJFWSA-N 386.455 -1.013 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CCO1 603417576 JEDRIQZUCLNUTI-HZPDHXFCSA-N 387.506 -1.158 30 20 GAED COc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N2 771896840 JSAGZKOCLZNXDY-UHFFFAOYSA-N 393.381 -1.273 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1O 964615154 JEQZQLQDKQWNKM-RFHZTLPTSA-N 392.416 -1.954 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](n3cc(C(=O)O)nn3)C2)C1=O 1609373702 MURHVPDJNKGMHT-VIFPVBQESA-N 376.329 -1.274 30 20 GAED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793259120 KOEKWCRJRTXPPC-DRXBFXEBSA-N 397.395 -1.571 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859469 VSQIDXJXPVIXMH-XFMPKHEZSA-N 378.433 -1.164 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835763343 AYWXXQFIRYWVAI-IBGZPJMESA-N 378.473 -1.158 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840040750 WISULIVJZMTVRI-WMZOPIPTSA-N 392.364 -1.143 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CCN)nn1 424550182 SGFAYSKJKDHJJA-AWEZNQCLSA-N 377.449 -1.074 30 20 GAED COCCn1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 446527566 BWWSLMITEAPFLM-UHFFFAOYSA-N 378.433 -0.458 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 468645479 OVKPSVURABVNRF-GFCCVEGCSA-N 394.409 -1.090 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C#N)o1)C2 553545447 TVNQEXNUGYKVLO-UHFFFAOYSA-N 380.386 -1.198 30 20 GAED N#Cc1cncc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 583901287 WKZBBVNVDBORQL-KBPBESRZSA-N 386.455 -1.271 30 20 GAED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3nc(O)cc(CN)n3)CC2)n1 595281802 RCLZSBQXEBWHHC-UHFFFAOYSA-N 396.411 -1.127 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 1023773456 GMMASYRCBISNJO-ASEORRQLSA-N 392.412 -1.231 30 20 GAED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)CC1 1323359225 DCLLUAWIUZFQAQ-UHFFFAOYSA-N 386.412 -1.231 30 20 GAED C#CCNC(=O)[C@H](C)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588352981 CLBXPDLTYZLDNT-WCQYABFASA-N 388.432 -1.303 30 20 GAED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1592665154 DGXLENDPVMMQOG-JHJVBQTASA-N 376.398 -1.177 30 20 GAED C#CCN1CCC(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1602718435 VDBKLRTVHQUDAV-AWEZNQCLSA-N 384.444 -1.082 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835404707 KOYRTLIFUSSEFO-LJQANCHMSA-N 378.473 -1.287 30 20 GAED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 532800359 WZPKMEQFSDNNES-UHFFFAOYSA-N 388.453 -1.361 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)nn1 1118116252 QYIBJEVRGNXNFR-GFCCVEGCSA-N 384.462 -1.132 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)CC1 1327243030 PDNSRWQLAMQDHA-UHFFFAOYSA-N 383.470 -1.085 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCN(C)CCOC)CC1 1336686314 OABKAFREQHWHFG-UHFFFAOYSA-N 375.495 -1.251 30 20 GAED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)CC1 1602960305 BBBVWLUKXQUNKL-ZIAGYGMSSA-N 386.474 -1.138 30 20 GAED N#Cc1cn(CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)c(=O)nc1O 1629977914 MCICCTWXZPGSKA-AWEZNQCLSA-N 377.401 -1.230 30 20 GAED NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021150 AWIJZWYIIVVZIY-MLHZQLSASA-N 380.449 -1.044 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1783535519 LORINHXJUMUIBX-JJVDHKILSA-N 393.444 -1.507 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784479468 CIDLNZVSJGXNLS-GVRJEKJASA-N 394.472 -1.403 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576200 KIAMWLKMXHVJGH-MEDUHNTESA-N 381.341 -2.361 30 20 GAED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccnc1 1840039765 HGWDFRGMXLZPSL-KSSFIOAISA-N 390.396 -1.012 30 20 GAED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041549 TZGGRNZDMQEVIY-INIZCTEOSA-N 377.357 -2.027 30 20 GAED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041848 KPGVUXLHHQVLFD-SJCJKPOMSA-N 396.400 -2.022 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841958276 WDLVDODGCWVNEZ-QMAVJUDZSA-N 389.412 -1.354 30 20 GAED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H](C)C1 349506282 SVWCEUPEHDINBC-NEPJUHHUSA-N 380.492 -1.006 30 20 GAED C=CCOC[C@H](NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)C(=O)OC 481750007 OUEKDBXXOANVCI-LBPRGKRZSA-N 378.385 -1.101 30 20 GAED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1 571061062 NWTBPLJCYIVVMD-UHFFFAOYSA-N 385.431 -1.167 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccnc2C(N)=O)C1 1023656079 UTNSLWCUWVALTG-YFCNSXCBSA-N 389.412 -1.142 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1O 1083853873 SZKJEVJLYTWEMU-LOUJCGABSA-N 380.445 -1.913 30 20 GAED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1220347479 OTJANUODJJWPPC-CBBWQLFWSA-N 380.445 -1.619 30 20 GAED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1554505318 MJNCRCZYGVGCSK-GFCCVEGCSA-N 380.434 -1.043 30 20 GAED CC(C)CN1CCO[C@H](CNC(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)C1 1589633112 KMRIZQDURBDPTL-LLVKDONJSA-N 388.436 -1.010 30 20 GAED N#CCSCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1592679643 XNLJEYPLZFYYED-NXEZZACHSA-N 375.418 -1.031 30 20 GAED Nc1n[nH]c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n1 1800777099 BRDRHGOPFXWYAM-KEODLESXSA-N 376.373 -2.003 30 20 GAED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835619626 HQJNJRXEDAUNHO-GOSISDBHSA-N 381.429 -1.081 30 20 GAED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044577 MJFDOPGFJUCLSG-KDOFPFPSSA-N 381.429 -1.129 30 20 GAED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 349530807 ZFLPHDWIOYZRFY-PHIMTYICSA-N 392.459 -1.914 30 20 GAED C=C(C)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 460022200 OVGUAFAXGMQBKY-UHFFFAOYSA-N 387.506 -1.343 30 20 GAED CNC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 530271747 BDWUEJLLPYNSRF-ZDUSSCGKSA-N 395.441 -1.007 30 20 GAED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 1025677258 KNTIKWUXDKSLFG-LVQVYYBASA-N 392.456 -1.948 30 20 GAED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1061737220 OKXLFCFOUWMTDT-LNORHHCFSA-N 375.425 -1.107 30 20 GAED COC[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCCO1 1342101557 VVSREXLTQLVNTR-NZSQWWTLSA-N 380.401 -1.061 30 20 GAED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)NCc3cnn[nH]3)CC2)CC1 1577706492 IPNLNDAVTOYJGX-UHFFFAOYSA-N 389.463 -1.610 30 20 GAED N#CCSCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@@H]1O 1577709941 IXQFEJMWBDTEPI-MNOVXSKESA-N 381.418 -2.244 30 20 GAED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078123 LXMOAGPNABWEGO-XUXIUFHCSA-N 377.397 -1.325 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1800776159 UWOCMIAXDRHIMH-ICCCGROCSA-N 376.325 -1.821 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800984941 MQRVBMOACIAZCO-BZNQNGANSA-N 375.447 -1.041 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831433099 POVWIIRLACVCOC-FPXQBCRKSA-N 397.472 -1.243 30 20 GAED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831438568 QRNVAMWECKNTTO-CXAGYDPISA-N 384.433 -1.298 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1835674375 JIKXOXFJWGSZSQ-KSSFIOAISA-N 396.492 -1.989 30 20 GAED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195941 SYXXXXYQAJSWKZ-CYBMUJFWSA-N 380.353 -1.227 30 20 GAED CNCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 419867185 HBEBWBCSFPVFCO-UHFFFAOYSA-N 379.442 -1.273 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O 520514720 WRRLPRUTZIUOPN-NSHDSACASA-N 386.430 -1.249 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1O 1023939664 KXZFBZWPYWWZBI-WGBDABJCSA-N 381.389 -1.642 30 20 GAED C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCOCC1 1341164295 SFIDGJUBEZNVFU-PVEMMZBWSA-N 393.444 -1.287 30 20 GAED CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1345840546 OVNDPGGUCKGYEW-GOSISDBHSA-N 379.461 -1.030 30 20 GAED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=N)N)C2 1799305170 SLPXXNPJJZQFEA-JJLQDPRZSA-N 381.433 -1.432 30 20 GAED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(=O)O 1835342452 CQJXJIGGXVUYGM-ACJLOTCBSA-N 394.428 -1.191 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C1=O 467679403 XIGVKKRNKGIXBD-GFCCVEGCSA-N 383.430 -1.363 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CO)NC(N)=O)CC2)cc1 498049409 YWDJNVDPOPAOFC-ZDUSSCGKSA-N 381.414 -1.580 30 20 GAED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)n2)cc1 504876572 QPXRTBSQZYIGBY-UHFFFAOYSA-N 397.395 -1.200 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369700 VVXOSLFLCRKHJP-KEODLESXSA-N 388.336 -1.534 30 20 GAED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1839068391 TWLWUMBWVFWFOS-KXBFYZLASA-N 393.440 -1.127 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840042261 JPRXYBZIKXDXPP-INIZCTEOSA-N 378.341 -1.727 30 20 GAED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840567804 MZUGKLDUCARPAX-GOSISDBHSA-N 381.429 -1.129 30 20 GAED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)cc1 277400170 BEZZJSGPEIYKJY-OKILXGFUSA-N 383.426 -1.004 30 20 GAED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 785213143 YKJKMQMDOZTBHM-LLVKDONJSA-N 389.343 -1.164 30 20 GAED N#CCNC(=O)CNC(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)NCC#N 804819713 GSSPVWBBMQQOCG-UHFFFAOYSA-N 380.258 -2.231 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 994743224 MSSRRIWWOSYQJO-KBXIAJHMSA-N 388.428 -1.010 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 1322086747 SJIKTLSYLIFJOW-UHFFFAOYSA-N 385.424 -1.084 30 20 GAED C[C@H](N)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1345189686 FBVVQBWHKBEOFQ-LBPRGKRZSA-N 379.442 -1.145 30 20 GAED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1831407207 SNPUUTHZYNHZMF-YJBOKZPZSA-N 384.477 -1.288 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535889 RRUNIEBZHRXJTL-UHFFFAOYSA-N 380.489 -1.522 30 20 GAED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)cc1 1838950775 DBBKYTOXRWHONZ-QFBILLFUSA-N 387.440 -1.086 30 20 GAED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839648610 UYSPQLFOOOBWKK-FUNAXGEOSA-N 393.396 -1.429 30 20 GAED COCCN(C)S(=O)(=O)[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 365170707 MWTLEUDGCFWEKS-LBPRGKRZSA-N 399.473 -1.168 30 20 GAED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 409571185 UQOJNKLVOJPWJP-UHFFFAOYSA-N 385.446 -1.240 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 595988062 NQUAXLCJUXTBJE-HZPDHXFCSA-N 396.451 -1.023 30 20 GAED CCOC(=O)CON=C(C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)c1cc[nH]n1 855472653 DMKDURRTEOLPCD-MNOVXSKESA-N 388.402 -1.378 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2nnn(C)n2)C1 990930947 BOGHUNSVUIYQCE-NDBYEHHHSA-N 387.404 -1.425 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC(N)=O)C1 1129855617 PEAMAICUPPCMTH-MQYQWHSLSA-N 391.432 -1.204 30 20 GAED N#CCCN(CCC#N)C(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1340939242 DZYHRAXWMFPRAU-HUUCEWRRSA-N 383.474 -1.270 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794091995 FABYKGAIEBYUFZ-BTTYYORXSA-N 397.453 -1.557 30 20 GAED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598320 AVWXVQCXLFODGI-BTTYYORXSA-N 379.461 -1.054 30 20 GAED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cnnn1 1835347856 HUKKVANIZZILLM-DYVFJYSZSA-N 389.416 -1.006 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1839809231 UYADOCNUUJJNAC-LJQANCHMSA-N 397.391 -1.207 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1=O 267360693 CHZMMIUHKIVPDV-ZDUSSCGKSA-N 391.428 -1.205 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@@H](N)C3)CC2)cc1 423047417 VFKKCJRRVQXFSD-CQSZACIVSA-N 391.453 -1.049 30 20 GAED N#CCCN(CCC#N)C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 470372008 IIUJZBARQSEKEL-UHFFFAOYSA-N 388.428 -1.064 30 20 GAED N#Cc1cccnc1NCCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 916640062 GOLXQIQFDZKJSM-UHFFFAOYSA-N 384.404 -1.094 30 20 GAED C=CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H](C)COC 1261691925 ABQKJFDMAMDRBS-ZDUSSCGKSA-N 377.463 -1.186 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351155 GVQFWZSXWNNGQA-JSGCOSHPSA-N 386.416 -1.501 30 20 GAED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788726885 LKJDGJKLMGHLPK-QPSCCSFWSA-N 389.412 -1.018 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790636358 GCSMEYXDBLFMQZ-RHYQMDGZSA-N 387.458 -1.173 30 20 GAED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075626 GMJKNQDKBWDSNY-RVMXOQNASA-N 380.401 -1.499 30 20 GAED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793355055 ZRZHVKYFOOAZKB-JFILPPLUSA-N 394.428 -1.281 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832701664 LOEPHSMMHRLXKW-FZKQIMNGSA-N 392.412 -1.546 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835356553 CXIAMXOSVHRQEN-YOEHRIQHSA-N 398.416 -1.189 30 20 GAED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(N)(=O)=O 541030634 SUOGSMCINDLUEZ-LLVKDONJSA-N 380.430 -1.605 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 580450725 PHRNYJUIGOIPMM-LLVKDONJSA-N 399.454 -1.113 30 20 GAED C[C@H](C(=O)NCC#CCNC(=O)[C@@H](C)N1C(=O)CCC1=O)N1C(=O)CCC1=O 1321362006 VKEIGRXDEWEPMY-VXGBXAGGSA-N 390.396 -1.703 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1 1344984511 KHYWRSPHKZBKKX-OAHLLOKOSA-N 399.407 -1.374 30 20 GAED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588500164 RXIPGKZVVILDOO-OAHLLOKOSA-N 375.389 -1.175 30 20 GAED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831517920 KCOJNMLVCNHNMW-XCRHUMRWSA-N 382.413 -1.062 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)CC1 106265330 QBSIBVAOYRGLKC-UHFFFAOYSA-N 394.523 -1.814 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)C1=O 272461796 CPRNGOVVPDQLIT-QWRGUYRKSA-N 395.368 -1.084 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)NCc2cn(CC(=O)OC)nn2)CC1 442248401 YORLLMQWZQSPOH-UHFFFAOYSA-N 379.421 -1.420 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cnnn2)C1 990806896 LGRCLOJPHNEUEI-MQYQWHSLSA-N 387.404 -1.576 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)NCCNC(C)=O)CC1 1322975119 KXZFFDGRABPQBE-UHFFFAOYSA-N 379.461 -1.697 30 20 GAED Cc1nc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cn1C 1333756543 ATZXJSAMKILRCA-UHFFFAOYSA-N 378.418 -1.275 30 20 GAED C#CCN1CCC(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1342876410 LGNQUSGOMVTMLM-CYBMUJFWSA-N 385.442 -1.112 30 20 GAED C[C@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575371252 RANSVKMTZPXJDS-GWCFXTLKSA-N 387.404 -1.346 30 20 GAED C#CCNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353609 YPYTYERGZBWENQ-DGCLKSJQSA-N 386.416 -1.237 30 20 GAED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1840167195 CFKZOAALEVMAJN-DNVCBOLYSA-N 394.472 -1.161 30 20 GAED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 292339120 OMOYQLZRDGDISZ-ZFWWWQNUSA-N 391.432 -1.559 30 20 GAED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 595994677 INOANEFHRYJXQX-GJZGRUSLSA-N 397.439 -1.628 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 761031123 OELDZIUUOGIWPR-OAHLLOKOSA-N 399.517 -1.411 30 20 GAED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 1326260863 OAITZULBIUVPSY-UONOGXRCSA-N 391.428 -1.676 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)O)CC2)c1=O 1588891572 NNSMWPOFAIKWKR-UHFFFAOYSA-N 378.385 -1.133 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1778969083 BPHNIAQDHVYNRX-NJSLBKSFSA-N 396.488 -1.018 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1791077543 FWSUIEQHEAQISR-IHRRRGAJSA-N 388.380 -1.689 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840041612 XNYMQAMVUWMLGD-SJCJKPOMSA-N 379.369 -2.191 30 20 GAED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130900 AMGCDZNZURBRCS-UHFFFAOYSA-N 392.393 -1.257 30 20 GAED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2ncccn2n1 349460928 QAVOYQBMLLUNNO-UHFFFAOYSA-N 386.459 -0.459 30 20 GAED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 561937369 LKKUYXXFKXLYNK-UHFFFAOYSA-N 390.404 -2.138 30 20 GAED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 584802854 PBCALPYMLDRASP-CHWSQXEVSA-N 395.507 -1.294 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 728532595 DFFJRVGQPADSLQ-UHFFFAOYSA-N 384.483 -1.080 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 728536355 WYWWQZNOVQRKKU-UHFFFAOYSA-N 377.445 -1.009 30 20 GAED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 850710226 VVUGSNIERYEGAH-UHFFFAOYSA-N 378.429 -1.566 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C(N)=O)nn2)C1 994745731 YWTXUGWDONXWJG-KBXIAJHMSA-N 388.428 -1.010 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(CN3CCOCC3)CC2)C1=O 1254077043 PPEOBHYOFOZCBA-UHFFFAOYSA-N 394.428 -1.351 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNS(=O)(=O)NC(C)C)C1=O 1327490106 FKXNZBXRZAITOF-LBPRGKRZSA-N 389.478 -1.820 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1328832861 WTTUUZMSBKLVJJ-SECBINFHSA-N 385.364 -1.017 30 20 GAED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783891159 ZRXDUQBTTJRSLH-GXFFZTMASA-N 381.391 -1.141 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1791072763 ALPMBEVFPVYOSP-RFGFWPKPSA-N 377.397 -1.420 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)NCCOCCS(N)(=O)=O)c1 288377589 ZDQBDPDEXPJNNU-UHFFFAOYSA-N 389.455 -1.367 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1CCCC1=O 1109171325 MOHRIYMUSZIZGT-WCVJEAGWSA-N 376.457 -1.169 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 1117363581 LTRGMCDTMJTWNO-STQMWFEESA-N 388.446 -1.658 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCC(NC(=O)CC(=O)NCc2cnn[nH]2)CC1 1575012666 FTBRTDHSPKXCLV-LBPRGKRZSA-N 376.417 -1.044 30 20 GAED C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013476 PTPWKEWXCFMVHW-CHWSQXEVSA-N 376.417 -1.044 30 20 GAED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(N)=O)C2 1799305674 YQZGOXXPKKLQRW-JJLQDPRZSA-N 382.417 -1.246 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829833382 XRIJTXDSSKIXJZ-WMZOPIPTSA-N 392.364 -1.143 30 20 GAED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835249745 AQXLWLSBIXHACB-QGZVFWFLSA-N 384.454 -1.099 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040227 SBMZRNDTEKSOBZ-KBXCAEBGSA-N 378.381 -1.431 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1840444829 VPIJGYZFYPOXAH-RDTXWAMCSA-N 390.396 -1.012 30 20 GAED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN(c2ncccn2)CC1 262276959 ICKLRSBJRSBTHR-UHFFFAOYSA-N 376.465 -1.279 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)C1=O 263987439 ZZCWCXDYKRTQGY-NSHDSACASA-N 386.430 -1.107 30 20 GAED N#CCCN(CCC#N)C(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1473297807 OPIWKZGKRGDZBF-CABCVRRESA-N 383.474 -1.582 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)c1=O 1588891042 BOSNEMCXNWMMPO-SCLBCKFNSA-N 392.412 -1.076 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)CCC1 1793946234 DEARUESKILOESC-GFQSEFKGSA-N 389.412 -1.132 30 20 GAED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1800990900 BWLLYKBCHKOYHM-FVCICTRLSA-N 376.413 -1.069 30 20 GAED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1801989019 WERDXGGTRMIIBD-ILWJIGKKSA-N 385.340 -1.848 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840841635 MIIBJAWFWXPGAF-KBXCAEBGSA-N 380.445 -1.551 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1840841636 MIIBJAWFWXPGAF-KSSFIOAISA-N 380.445 -1.551 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)C1=O 299559325 SAWQIGQEIWWAIO-UHFFFAOYSA-N 377.401 -1.614 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 409586864 LWBDIFCRBKDQCV-MCIONIFRSA-N 394.519 -1.200 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 756097766 RCIGVZSRRPQGBU-UHFFFAOYSA-N 382.446 -2.408 30 20 GAED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 846260332 YDGQOGNCGPUERR-KBPBESRZSA-N 380.426 -1.061 30 20 GAED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)N1CCO[C@@H](C#N)C1)C2 1325173495 YVPVVDKWWTZXIR-NSHDSACASA-N 399.433 -2.582 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1795600933 KNLVZOYRUIYLPR-HGTKMLMNSA-N 391.472 -1.006 30 20 GAED Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cs1 1835798428 WCHZWHPJAPQHLL-MRXNPFEDSA-N 394.409 -1.117 30 20 GAED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 460814341 JLIBXDWAMQBIPV-CYBMUJFWSA-N 397.395 -0.641 30 20 GAED N#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 737694023 APSHGSGHVUYEPS-UHFFFAOYSA-N 390.429 -1.187 30 20 GAED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1110074419 SRHROURFNYQZSI-MQYQWHSLSA-N 375.429 -1.260 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(F)(F)F 1112166225 KJSUIYFQTOFODD-WISYIIOYSA-N 390.362 -1.252 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1 1588352790 WQUFKEPQNZMECJ-AWEZNQCLSA-N 385.432 -1.013 30 20 GAED N#CCNC(=O)CNC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 1606350367 UMDLGFSKVLNTPT-LBPRGKRZSA-N 387.404 -1.345 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1829765118 HBJKGMAKGMOQIT-NEPGBVGISA-N 394.472 -1.104 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1832697405 OGIAABAIAIQFLT-PXAZEXFGSA-N 380.401 -1.383 30 20 GAED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846033273 IZFDMJIXNKNJJC-UHFFFAOYSA-N 395.504 -1.242 30 20 GAED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 848935436 WFNFTBQGQZWKES-NSHDSACASA-N 384.439 -1.014 30 20 GAED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329962751 URIRYLBBMYYOTQ-GXTWGEPZSA-N 383.474 -1.417 30 20 GAED CC(C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1348535641 PGEOCQHVZZBVLG-INIZCTEOSA-N 390.488 -1.146 30 20 GAED C#CCNC(=O)CNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCOCC1 1588354645 TYFQJVATNWUAMG-UHFFFAOYSA-N 386.416 -1.187 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588363599 PIHRPLOOXXBFBP-UHFFFAOYSA-N 384.400 -1.324 30 20 GAED N#CCSCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1592678982 BRBUJKGAYQAOLC-AWEZNQCLSA-N 375.418 -1.029 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832334770 OOZGXZRQTKZVGE-QGZVFWFLSA-N 380.401 -1.429 30 20 GAED C[C@H](O)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 571728284 RGSZJEGZSACYMY-LBPRGKRZSA-N 380.426 -1.112 30 20 GAED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 600762514 YEQUWFBVHNWTFV-QWRGUYRKSA-N 375.428 -1.443 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1O 1025710596 XJJGUGIHKXKZBA-SYQHCUMBSA-N 379.417 -1.831 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CCOCCN 1118962210 ITCUUBSWIIAVCO-CYBMUJFWSA-N 375.433 -1.181 30 20 GAED CN1CCN(C(=O)C2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)CC1 1329446896 GDQMBLHMUMUGTM-IBGZPJMESA-N 391.472 -1.124 30 20 GAED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[nH]n1 1588352439 KQOHQRBXMMQOSR-OLZOCXBDSA-N 385.432 -1.015 30 20 GAED CS(=O)(=O)N1CCC(NC(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)CC1 1599756081 NMSKEXWZTNHDCF-UHFFFAOYSA-N 382.398 -1.042 30 20 GAED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1783567754 YDHYBZDUYAXCGR-CQSZACIVSA-N 391.302 -1.417 30 20 GAED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1788652988 QCVXNJGRZGGURM-SOMZGVGESA-N 385.417 -1.194 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186239 IQNXUGWLTNPMGP-JGPRNRPPSA-N 384.352 -1.243 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435729 XXHDKNDVUOADKF-LXFSFDBISA-N 376.417 -1.138 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cnnn1 1840480836 ZFIXPQWRFYZNOC-BLLLJJGKSA-N 392.372 -2.222 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840841821 XZJANJSOYCZIPJ-GOSISDBHSA-N 377.445 -1.304 30 20 GAED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 286402283 DTMKNEDMYXBAQT-UHFFFAOYSA-N 391.472 -1.298 30 20 GAED C#CCNC(=O)CN1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 728571112 VQIZZHZPSSKZQO-UHFFFAOYSA-N 399.499 -1.118 30 20 GAED COCC#CCN1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476855 UWNVRBTXZNUQQI-JONQDZQNSA-N 386.470 -1.250 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@@H]1n1ccnn1 1129850403 YGAKSBXWDSDREL-TUVASFSCSA-N 387.444 -1.716 30 20 GAED C#CCNC(=O)CC(=O)N1CC([C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353882 AITPLPOLZKBMME-JTQLQIEISA-N 384.400 -1.089 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588355037 CLMXPJFDRAJFKD-DIFFPNOSSA-N 387.400 -1.074 30 20 GAED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349456783 JGGBITPDVBGTSY-UHFFFAOYSA-N 399.454 -0.625 30 20 GAED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349490800 GSIXOMKZASCPJI-NWDGAFQWSA-N 393.491 -1.363 30 20 GAED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@]1(O)CCOC1 582735550 JHCMGBWHDPYCTQ-CYBMUJFWSA-N 375.428 -1.082 30 20 GAED C#Cc1cccc(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 842033318 RIYKUKRYRDIMMY-UHFFFAOYSA-N 390.465 -1.270 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@@H]1O 1083853689 IIOYAHZQQFEHTQ-IVSAIRAKSA-N 392.456 -1.274 30 20 GAED CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 1330715113 XCJIZBLYGDFCDY-LBPRGKRZSA-N 375.389 -1.022 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)CC1 1588354115 QQVBSSZWTPWKNM-UHFFFAOYSA-N 378.418 -1.569 30 20 GAED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2)C(=O)C(=O)O 1800263505 QNCDTXHIECLBGQ-DABQJJPHSA-N 392.412 -1.187 30 20 GAED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 329147988 BDRUJBTUHBYDBW-GJZGRUSLSA-N 376.461 -1.679 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 831569124 XZLCQHOUPBKIMN-GFCCVEGCSA-N 380.417 -1.436 30 20 GAED N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c[nH]1 960948628 RHMCZASMVNGGOF-BYNSBNAKSA-N 387.396 -1.029 30 20 GAED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118153173 UAPGTMMRRXVUOS-KBXCAEBGSA-N 379.461 -1.078 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1 1329131662 XUDNTILXSFPUPP-CHWSQXEVSA-N 385.442 -2.097 30 20 GAED CCN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CCN2C1=O 1335586016 XVWAAYYWTRGBAS-ZIAGYGMSSA-N 388.428 -1.320 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793346798 NKNNRXVQNVIGLY-LXFSFDBISA-N 376.417 -1.138 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)CC1 1795407865 CKBKRCJYWADYPA-GNXNZQSNSA-N 375.385 -1.568 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1835541777 CSXCBWLHIGHVMY-HNNXBMFYSA-N 391.361 -1.256 30 20 GAED CN(c1nncs1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349458141 LJEBJYIGVZEHIR-UHFFFAOYSA-N 395.488 -1.016 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C(N)=O 349507846 WBJQFGJMGVEFAB-MNOVXSKESA-N 398.532 -1.217 30 20 GAED C=C(CNS(=O)(=O)N(C)CCOC)CNS(=O)(=O)N(C)CCOC 660128817 NLOAYWLHEAWVBH-UHFFFAOYSA-N 388.512 -1.632 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1O 1023958563 PRXDQPDYQLCBCJ-LPWJVIDDSA-N 380.401 -1.793 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1O 1077822015 SZKJEVJLYTWEMU-CFAJVAMVSA-N 380.445 -1.913 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CC1 1323033736 IIJWYQLVMHTJPV-UHFFFAOYSA-N 384.396 -1.125 30 20 GAED Cn1c(Cn2cnc(C#N)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1345934314 BNABULBUOYQTOS-UHFFFAOYSA-N 386.420 -1.099 30 20 GAED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609021414 XGPVYYZXVKGNOU-UHFFFAOYSA-N 378.370 -1.562 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830385552 LRIVDLKGWKJDRZ-LIMHQNJXSA-N 383.401 -2.388 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1831328182 BJPZZSYYKOUTBL-BBRMVZONSA-N 387.458 -1.596 30 20 GAED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1833817453 RWIOMMISJBPLMY-GOSISDBHSA-N 388.380 -1.057 30 20 GAED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1835756843 PDAGYGHWPRHZIG-FZKQIMNGSA-N 394.428 -1.191 30 20 GAED CN(C)CC(=O)N1CCN(CC#CCN2CCN(C(=O)CN(C)C)CC2)CC1 580174895 UNELMAREOLSHBP-UHFFFAOYSA-N 392.548 -1.599 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc2ccccn2c1=O 1109584463 KNHJDVZRIMKQAH-ILXRZTDVSA-N 382.424 -1.033 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)nn1 1588713573 NCGHQZATTXZLRA-PWSUYJOCSA-N 383.376 -1.586 30 20 GAED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789943768 IZSITADXYJOWLD-XUXIUFHCSA-N 377.397 -1.325 30 20 GAED C[C@@H](Nc1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777184 KAMCDVQUOBZYBB-KOFHJDLBSA-N 387.396 -1.045 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1829765399 VRPBNDXUZJKMBF-PYTPGESOSA-N 381.429 -1.052 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCO3)C2)CC1 1839870009 PAZZGJQXKOJGMG-ACJLOTCBSA-N 376.413 -1.117 30 20 GAED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040399 XWCGIRHJZFYOSU-XCRHUMRWSA-N 382.413 -1.062 30 20 GAED Cc1cnc2c(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cccc2c1 2048532245 QUZZYDUOFZJBMI-KOZAUXTDSA-N 387.410 -1.316 30 20 GAED CN1CCO[C@@H](C/N=C(/O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 329838261 NGVUPYVURABASR-LBPRGKRZSA-N 381.437 -1.807 30 20 GAED C[C@H](CC#N)N(C)S(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 509253362 GZUSDZFSULWRIE-LLVKDONJSA-N 385.450 -1.573 30 20 GAED C#CCN1CCN(C(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 779621906 AAQYKZQHKUKGTR-KRWDZBQOSA-N 398.529 -1.110 30 20 GAED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 960947116 HGCZGXJDHUVDFK-BYNSBNAKSA-N 387.396 -1.029 30 20 GAED N#C[C@@H](C(=O)Cn1nc2n(c1=O)CCCC2)C(=O)N1CCS(=O)(=O)CC1 1523912633 DMRHPMDPSNKJNU-NSHDSACASA-N 381.414 -1.653 30 20 GAED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354948 BFASUIJDWFNLNX-PWSUYJOCSA-N 375.389 -1.218 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1792628974 BFUFPPVJBBLSHR-GNXNZQSNSA-N 377.401 -1.322 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840041448 MYPMNEAITGNBQQ-SFHVURJKSA-N 390.348 -1.202 30 20 GAED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1840475589 HJSBRJMFJSUGRT-SUMWQHHRSA-N 389.416 -1.006 30 20 GAED CN(c1cccnn1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349460949 QEZVFCULJSUVIH-UHFFFAOYSA-N 389.459 -1.077 30 20 GAED COC(=O)CN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 523128733 MOOSHVHRXOAXDJ-UHFFFAOYSA-N 394.409 -1.054 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 542877026 JYTPKBIMYORPSW-GHMZBOCLSA-N 395.445 -1.821 30 20 GAED C[C@H](CNC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1)S(N)(=O)=O 551190709 QDAWOMPPSCRIMV-LLVKDONJSA-N 380.430 -1.605 30 20 GAED C#CCN(CC(=O)c1c(O)nc(=O)n(CCOC)c1N)[C@@H]1CCS(=O)(=O)C1 729265746 BIYIZLWCYJHHEU-LLVKDONJSA-N 398.441 -1.518 30 20 GAED C#CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1040420560 OOBLVGFRABKCOZ-URQLFKTFSA-N 375.425 -1.371 30 20 GAED CN1CCC(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)(N2CCOCC2)CC1 1212158017 IHWSZNHXDVNEKX-HNNXBMFYSA-N 387.506 -1.158 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1219867246 KLBGYLPUSCLAAT-YIYPIFLZSA-N 383.449 -2.121 30 20 GAED Cn1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cn1 1338377409 BFLUVJHROAXENC-UHFFFAOYSA-N 378.439 -1.781 30 20 GAED C=CCNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1755782697 BDJJADJZIRLIPL-GNIPQWQFSA-N 380.445 -1.170 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063561 WUHRFFKIZDJSOR-HNAYVOBHSA-N 378.473 -1.199 30 20 GAED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1835764563 WIEWZSCDCJZVQN-SJCJKPOMSA-N 397.384 -2.407 30 20 GAED Cn1cnc(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)c1 268008576 FWJNOMCCXIEOJN-UHFFFAOYSA-N 384.462 -1.227 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/Cc3ccn(C)n3)CC2)CC1 328936632 CSCFGYJRZAFHIZ-UHFFFAOYSA-N 385.494 -1.056 30 20 GAED COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 572179521 YAFFHLZQOVINES-LBPRGKRZSA-N 391.427 -1.357 30 20 GAED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 845858560 JGXLOHMMXIKGQN-UHFFFAOYSA-N 388.427 -1.145 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1110461733 GISDKHWYPOZKRV-MCIONIFRSA-N 375.429 -2.194 30 20 GAED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCOC[C@H]1CCCO1 1322678413 JWDOCRARGZYUEQ-XROPSADXSA-N 380.401 -1.059 30 20 GAED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1812878102 COJYSUGKFMKZPY-DYVFJYSZSA-N 383.368 -1.138 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839919777 BPNAMMXGOKMPCC-GOSISDBHSA-N 385.461 -1.695 30 20 GAED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1840841828 YBRFZZLIAUIIAG-RDTXWAMCSA-N 381.429 -1.081 30 20 GAED CN(C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)[C@H]1CNC[C@@H]1O 423675201 IDPFZWJWQYEEIL-TZMKYKESSA-N 383.408 -1.350 30 20 GAED N#C[C@@H]1COCCN1S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@H]1C#N 443020732 FXULBTPLLXYOBQ-CHWSQXEVSA-N 392.459 -1.515 30 20 GAED COCCN1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1328816419 MIAGDWJEYJDCKK-CCEZHUSRSA-N 379.417 -1.580 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCOCCS(C)(=O)=O)C1=O 1346703308 ZLEKTMYTEOHPJC-LBPRGKRZSA-N 375.447 -1.591 30 20 GAED N#Cc1cn(CC(=O)N(Cc2cnn[nH]2)[C@@H]2CCS(=O)(=O)C2)c(=O)nc1O 1577717689 NHTOAJPNUWUAGZ-LLVKDONJSA-N 393.385 -1.845 30 20 GAED C=CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658422 JGUMXMUGIYZIEC-VIFPVBQESA-N 375.393 -1.086 30 20 GAED CN(CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)C(=O)O 1782745426 OLBXNOLEDDSQMX-GOSISDBHSA-N 377.397 -1.227 30 20 GAED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)n1cnnn1 1791079682 ZPOURIGGSAFEHN-VOAKCMCISA-N 376.373 -1.698 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838376252 AFOZVNWUFFPNHQ-KRWDZBQOSA-N 390.352 -1.660 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1840841753 ULPXFDAGVFMVCV-KBXCAEBGSA-N 380.445 -1.551 30 20 GAED C#CCN(CC(=O)NC(=O)N[C@@H](C)COC)CC(=O)NC(=O)N[C@H](C)COC 298430303 NKANVUUUAQGPOP-BETUJISGSA-N 399.448 -1.357 30 20 GAED C#CCN1CCN(C(=O)CN(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 823851111 ZRVMVNHTDPNMAH-UHFFFAOYSA-N 386.464 -1.186 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1O 1023957796 ATAMYUNZAGDCQO-TUVASFSCSA-N 393.444 -1.441 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)O1 1119140824 JUGAFRWCUXPERQ-ILXRZTDVSA-N 377.445 -1.063 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CCN(O)C1=O 1575409190 DMPQVHXCEKRCQZ-LDYMZIIASA-N 395.401 -1.360 30 20 GAED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)n1ccnn1 1791077551 HCPGKWMMCVORDD-XUXIUFHCSA-N 375.385 -1.093 30 20 GAED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793759675 LCAWLVYKCFKKKH-GNXNZQSNSA-N 377.401 -1.322 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1797708049 ANLWMCGBBVYNHD-FQLMCAECSA-N 393.488 -1.011 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1797714635 YNYGNKMCIYXMFD-OHQCYIMMSA-N 381.473 -1.128 30 20 GAED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1798694081 YQRIHAFDNUPMNX-ZWUHOBOKSA-N 388.428 -1.318 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831391062 FHXXXYFETGVXSY-VCBZYWHSSA-N 393.440 -1.240 30 20 GAED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1O 1833409465 BKTDIOAOWWLBET-QGZVFWFLSA-N 392.368 -1.716 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1840165949 ORKMNKWLVXIKBF-SJKOYZFVSA-N 397.453 -1.314 30 20 GAED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)C2=O)cc1 581906355 UFIFBCBGDLMYQC-GJZGRUSLSA-N 399.407 -1.512 30 20 GAED N#Cc1cncc(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 1054787965 ITIGMIHGYSZRGB-MROQNXINSA-N 390.425 -1.716 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836490886 OYIFJDABXNMFHX-IYOUNJFTSA-N 384.477 -1.698 30 20 GAED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839885932 AIVJOTXWILXYOU-KRWDZBQOSA-N 381.385 -1.943 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21 995451343 WJCHWCUBODILCP-XQHKEYJVSA-N 385.442 -1.711 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1196185542 YJLQPNPIQDMBOS-LXTVHRRPSA-N 379.461 -1.189 30 20 GAED N#Cc1cccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 1345005986 ORGBAEFUGAPMMV-UHFFFAOYSA-N 380.426 -1.047 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 1346303781 DQKXEFYAIZCQTL-AWEZNQCLSA-N 386.518 -1.012 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)CC1 1348264328 OIMAVYLEWFXWJQ-LSDHHAIUSA-N 386.522 -1.585 30 20 GAED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O 1776215328 IZBCPQUWKAYKCG-JTQLQIEISA-N 387.418 -1.206 30 20 GAED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](N)CN)C4)c2c1 1799882482 PCRZUNWGJDGXSK-LMWOUKEDSA-N 397.439 -1.076 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839663169 FBBQHCUQLUXMTR-KRWDZBQOSA-N 375.385 -1.387 30 20 GAED CC(C)OCCS(=O)(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 267035562 LTRGDEPWMXEEGY-UHFFFAOYSA-N 399.473 -1.168 30 20 GAED O=C(NCC#CCO)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 594354824 ZBYPGEGSMXEZQP-AAEUAGOBSA-N 383.382 -1.169 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O 1109779975 DBOXJFQFOCBCBS-XBFCOCLRSA-N 375.429 -1.279 30 20 GAED C#CCOCCNC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1324586533 YNKCATUFVHTCHM-ZDUSSCGKSA-N 375.447 -1.643 30 20 GAED C=CCNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588656916 BWAKEJVYJNXUGB-ZYHUDNBSSA-N 376.421 -1.092 30 20 GAED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(=O)C(=O)O 1839703009 PUYZIUFMGRQSLB-MRXNPFEDSA-N 382.373 -2.101 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N[C@H](CC(=O)OC)C(=O)OC)c1cc[nH]n1 278175874 TXIGYUVDRPLWMZ-MUSWWTGGSA-N 384.345 -1.086 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C1=O 297938148 SSZACXFGXUTKGU-CQSZACIVSA-N 388.428 -1.159 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(CC)C(=O)[C@H]2C)CC1 410715875 QLLYXNKCNJQRSW-CQSZACIVSA-N 379.461 -1.488 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 468664090 WLBFSAQRZBIPEX-GXFFZTMASA-N 394.409 -1.275 30 20 GAED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 534290740 DXNJQYFJRPGZIS-UHFFFAOYSA-N 399.415 -1.298 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC3(CC2)OCCO3)C1=O 726042482 JKZQFIRDWINURT-UHFFFAOYSA-N 395.368 -1.128 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 960979299 XPTOYCUVJBEDOP-MROQNXINSA-N 393.400 -1.281 30 20 GAED N#CCNC(=O)CNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1105285542 RIVDZUDIFIJAHI-NMNMXBMNSA-N 385.428 -1.186 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1324820829 ABQFKHITALFBGM-KGLIPLIRSA-N 389.474 -1.138 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)nn1 1332058271 OQPRXWKPVIOKTO-UHFFFAOYSA-N 398.427 -1.077 30 20 GAED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831477432 BLWIBZDLSCGYHL-SFHVURJKSA-N 395.412 -1.555 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838340803 ZYDCNOLQXYMLNS-GOSISDBHSA-N 389.364 -1.522 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838805291 HWUDYHHUYSNEJW-QGZVFWFLSA-N 393.352 -1.675 30 20 GAED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533352606 SRLBBBYVQOUPDB-UHFFFAOYSA-N 399.429 -1.303 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861648 DODVJZBHKIYYLS-KSSFIOAISA-N 381.429 -1.253 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840044676 RAOUMLHBBQJGOD-PXAZEXFGSA-N 379.369 -2.333 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920798 MJCHBHXMFZJELQ-FZKQIMNGSA-N 398.460 -1.316 30 20 GAED C#CCN1CCC(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 108930549 GCVZUICSWSFJTF-UHFFFAOYSA-N 376.457 -1.139 30 20 GAED N#Cc1ncccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 277032714 OIFCVHCQQOLILB-UHFFFAOYSA-N 393.425 -1.355 30 20 GAED C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 669039623 QIUYEVKKJDHKKS-UHFFFAOYSA-N 384.408 -1.405 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)NCC)C2)CC1 1323543155 LRBLBTIICSSAKB-CQSZACIVSA-N 377.445 -1.106 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)C1=O 1602894606 NIGDUQUZKGDBML-VIFPVBQESA-N 387.370 -1.937 30 20 GAED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1800991039 QJKMKPBUOJBSFZ-ZWUHOBOKSA-N 376.413 -1.022 30 20 GAED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1839101168 FRBSKQMGDBYQHB-VQIMIIECSA-N 393.488 -1.008 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1839807912 JFYAPZMUUVAUSE-LJQANCHMSA-N 392.456 -1.760 30 20 GAED C#CCN=c1nc(N2CCN(C)C(=O)[C@@H]2C)[nH]c(N2CCN(C)C(=O)[C@@H]2C)n1 804624287 MKJKKSDFTASSGJ-STQMWFEESA-N 386.460 -1.328 30 20 GAED N#CCN1CCC(CNC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)CC1 1592677974 XVKJGACFIMZQEK-UHFFFAOYSA-N 387.404 -1.129 30 20 GAED Cn1c(=O)[nH]c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)c1=O 1639689582 PZDVDRJMHIQZIP-NSHDSACASA-N 383.430 -1.424 30 20 GAED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1786364047 NUUPLVNYUXKKKO-KKUMJFAQSA-N 398.485 -1.390 30 20 GAED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1792630155 WOHQNTRSCCCROJ-PTEHBNRSSA-N 388.361 -1.149 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1830056318 SMXZGZDNZYYUDO-FZKQIMNGSA-N 395.460 -1.415 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1836174191 MQNDXKDJWZGRCN-QGZVFWFLSA-N 376.369 -1.573 30 20 GAED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043263 OHAWTBFJVBAXKS-QGZVFWFLSA-N 376.369 -1.124 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1840043967 FKKYQRNHUXXLCE-SFHVURJKSA-N 389.364 -1.055 30 20 GAED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N2CCNC(=O)C2)c1=O 600606983 VNFMZXSLILQWGI-UHFFFAOYSA-N 391.384 -1.818 30 20 GAED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1329384384 UVBJDCROXUZCTJ-CQSZACIVSA-N 398.489 -1.864 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1781267863 ZYFAKHIRLCPBID-KRWDZBQOSA-N 381.433 -1.191 30 20 GAED NC[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1836490789 KHOAWJMUBDFMCA-CIKSETCGSA-N 396.492 -1.800 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838071893 XETFQNYFXGRBFV-INIZCTEOSA-N 378.341 -1.727 30 20 GAED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N1CCN(C)CC1 1839101165 FRBSKQMGDBYQHB-APWZRJJASA-N 393.488 -1.008 30 20 GAED CCN1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H](C#N)C2)C1 912536690 ZRYUQCRAVCSITR-ULQDDVLXSA-N 393.488 -1.009 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C1CCOCC1 1109860153 NUBZJRZWLLCVFL-ILXRZTDVSA-N 377.445 -1.110 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C#N)c1=O 1581747553 DLTUSGADOXQWBM-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1783565738 PRDRGAMHZRYKIZ-KRWDZBQOSA-N 376.369 -1.040 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797588594 QRPLZZNIUGVNFE-YJKIEOBBSA-N 383.357 -2.272 30 20 GAED CCCNC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800774375 YNUUGWBGQJZCLA-IVWMJMPLSA-N 379.413 -1.030 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777247 MEGJCGZJVVSXIG-ZWUHOBOKSA-N 381.385 -2.185 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800779084 RYEJYRLLHBHYOE-YQYWCBKUSA-N 390.352 -1.761 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1835353938 HQPLWSIXCAZHKG-CXAGYDPISA-N 381.433 -1.661 30 20 GAED C[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(N)(=O)=O 541960380 RUNUWUNBJPYMSY-LLVKDONJSA-N 380.430 -1.605 30 20 GAED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 565714303 IRXYGNPUJOIGAW-UHFFFAOYSA-N 386.412 -1.105 30 20 GAED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)n1 573774408 PQUFOHQQGIEKQV-UHFFFAOYSA-N 399.432 -1.420 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)CC1 590975965 JFCSBNHPCPPDBZ-OKILXGFUSA-N 381.392 -1.062 30 20 GAED COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594539289 WKPWZYDLPZIAJO-GFCCVEGCSA-N 391.427 -1.357 30 20 GAED CCOCCS(=O)(=O)NCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 600832183 YTMHDNOOHRGQID-UHFFFAOYSA-N 385.402 -1.840 30 20 GAED CS(=O)(=O)N1CCN(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1116260540 WVJCRXQGVUJJEP-CCEZHUSRSA-N 385.446 -1.794 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 1329348970 GYOCYEQEXPDDAK-BXIXQQKLSA-N 386.408 -1.213 30 20 GAED C[C@H]1COCCN1CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342097945 MGUKSZLEGVFNPQ-VCHHOEMESA-N 379.417 -1.534 30 20 GAED CN1C[C@@H](C(=O)O)N(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1=O 1598564925 MOUOBNNTXXQXQN-LBPRGKRZSA-N 380.382 -1.410 30 20 GAED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044576 MJFDOPGFJUCLSG-KBXCAEBGSA-N 381.429 -1.129 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 265055063 SCIPCSFXVFMKEZ-LJQANCHMSA-N 389.456 -1.009 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)CNC1=O 268838489 VDLMXXMMCRXXFJ-SNVBAGLBSA-N 379.398 -1.107 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CCO1 409590528 CSISNSPTDOHYLH-CYBMUJFWSA-N 380.430 -1.228 30 20 GAED CN(C[C@@H](O)CN1CCOCC1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 569894368 VMOZNFYOQOOZAG-OAHLLOKOSA-N 396.469 -1.012 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[C@H]1CCCO1 809308398 HYCWAOTWALSTLD-UONOGXRCSA-N 376.413 -1.767 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc(N2CCNCC2)n[nH]1 832811681 CXGYZTGRQFGAIA-UHFFFAOYSA-N 390.429 -1.109 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 1118762476 CXPNDAZPBHKJPI-UHFFFAOYSA-N 395.441 -2.251 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 1325110695 HSFYYZMJUOSOHZ-CABCVRRESA-N 399.455 -1.072 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1800774344 JWAPIOYWKAYOKW-FVCICTRLSA-N 381.454 -1.287 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831394072 VOQZFODMHHILQM-YJBOKZPZSA-N 391.428 -1.227 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839103044 CIHSQSCLNJZLQB-VQIMIIECSA-N 378.473 -1.288 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccn1 1840043930 CISHPQNYPJJNOK-KBXCAEBGSA-N 390.396 -1.012 30 20 GAED CN1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)CC1=O 349465756 PEQTVFHFDSPYNS-NSHDSACASA-N 396.516 -1.291 30 20 GAED C=CCNC(=O)CN1CCN(S(=O)(=O)N(CCOC)CCOC)CC1 490159031 VQQAXGGIIAAASP-UHFFFAOYSA-N 378.495 -1.254 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1=O 490568863 RRKXJVBTIUMSQB-UHFFFAOYSA-N 391.428 -1.270 30 20 GAED C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1025677640 ZLRJTUHXMUCELW-WCXIOVBPSA-N 385.420 -1.069 30 20 GAED N#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]1n1ccnn1 1129937657 DAZRUCMZMAJIFB-MFAUZPSPSA-N 385.428 -1.317 30 20 GAED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201043285 WSWNKPOKCGINIK-NBOOPKSLSA-N 379.457 -1.006 30 20 GAED C#CCOCCC(=O)NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588361492 ODHUXYPPFHVLNO-UHFFFAOYSA-N 385.432 -1.065 30 20 GAED N#CCN1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1592677877 KUPIBKOSGGYFQB-NWDGAFQWSA-N 376.402 -1.358 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@@H]3CC(=O)O)CC2)o1 1607943375 LLZYQBKOALMJFG-ZDUSSCGKSA-N 390.400 -1.222 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1812877533 KDRDPEKBRJGLMH-YRBFXIGRSA-N 386.408 -1.102 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1841054367 QEPOFMCGLPEEKK-VGVVRCBHSA-N 377.445 -1.359 30 20 GAED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 601584067 RBLHESVPODQUDF-HNNXBMFYSA-N 376.461 -1.533 30 20 GAED C[C@@H]1COCCN1CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342097952 MGUKSZLEGVFNPQ-XROPSADXSA-N 379.417 -1.534 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnccc2-c2nn[nH]n2)CC1 1588354362 XMQKBPAIZSKVTN-UHFFFAOYSA-N 376.402 -1.513 30 20 GAED C=CCN1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O 1588655183 XSTPXDVNKAVERI-MGPQQGTHSA-N 386.416 -1.243 30 20 GAED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1780332951 KZMPZNRCZLBPSE-UGSOOPFHSA-N 388.428 -1.077 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCC(=O)N1CCN(C)CC1)c1cc[nH]n1 277852300 AHADEXVOBODXRG-LTGZKZEYSA-N 394.432 -1.026 30 20 GAED N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 834517025 PBURBUFYXNDWAB-TZMCWYRMSA-N 377.426 -1.352 30 20 GAED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329455491 SUNKNSMHXDJESR-ZIAGYGMSSA-N 383.474 -1.275 30 20 GAED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072726 ZCPIOSNUBFJZAS-XUXIUFHCSA-N 379.413 -1.031 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793344482 QFLKUBBENQVPQW-QFXBJFAPSA-N 395.456 -1.735 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)CC1 1837359575 DKBMTQVMWONFFC-QGZVFWFLSA-N 375.385 -1.378 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCc2nnnn2CC1 349540458 TYNUIDKDQYMTPB-NSHDSACASA-N 391.479 -1.527 30 20 GAED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 409594259 APVXNHNUVCHKMY-AGIUHOORSA-N 380.492 -1.590 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 502258473 OCZQHCXULZLOGH-CABCVRRESA-N 391.472 -1.298 30 20 GAED CNC(=O)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771892895 VVESRJSUHQVRQG-UHFFFAOYSA-N 379.398 -1.244 30 20 GAED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O)(C(N)=O)CC3)CC2)o1 1645615023 ZNQPYRLARJRPFW-UHFFFAOYSA-N 376.417 -1.185 30 20 GAED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1)C(=O)C(=O)O 1784387382 ZQYHTONTMGXIGS-KKUMJFAQSA-N 391.424 -1.078 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799286215 YJLPMPFJAKJHMT-NLLTUHKPSA-N 378.429 -1.431 30 20 GAED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1799304332 FEMLPCBYIUYRKD-PFFSRIRZSA-N 395.456 -1.192 30 20 GAED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233887 NLOCIIKWCKWBTH-LLVKDONJSA-N 385.384 -1.332 30 20 GAED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccn(CCC(N)=O)n2)c1 555031993 XBEKAPVKRHUUHB-UHFFFAOYSA-N 376.398 -0.453 30 20 GAED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3c(O)nnc3C2)cc1 566478822 JWKJJVWYAKZFTB-UHFFFAOYSA-N 398.426 -1.010 30 20 GAED C#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685669 TXGWNXSUBXOLBK-UHFFFAOYSA-N 379.394 -1.287 30 20 GAED N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065202 VPWKGYGNQDHUMJ-IBGZPJMESA-N 391.472 -1.002 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795531395 SHXNOINRPJYXOC-HAFSJTIUSA-N 380.445 -1.793 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837396369 BLFQKPAGEIPHRP-FZKQIMNGSA-N 397.476 -1.501 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040230 SBMZRNDTEKSOBZ-RDTXWAMCSA-N 378.381 -1.431 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)C1=O 268392047 PWISHHQLGDDTTE-WDEREUQCSA-N 386.430 -1.203 30 20 GAED CCN(CCC#N)S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 409598372 NYHDLIYBFJGZOM-OLZOCXBDSA-N 380.492 -1.446 30 20 GAED Cn1cnc2c1c(=O)n(CC(=O)NCCNc1ncccc1C#N)c(=O)n2C 917155595 OQLFOJLROQRLDL-UHFFFAOYSA-N 382.384 -1.071 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@@H]1O 970711343 CKUNHSCJCJEYED-XEZLXBQYSA-N 378.385 -1.622 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@@H]1CCCO1 1117544444 MZKSEAUGMCWJIG-KBPBESRZSA-N 378.429 -1.521 30 20 GAED N#Cc1cn(CC(=O)N2CCC(O)(CN3CCOCC3)CC2)c(=O)nc1O 1137770107 YTAWYNYETPMJJQ-UHFFFAOYSA-N 377.401 -1.494 30 20 GAED C=CCOCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1327926386 HURGOGRSZOSBTQ-AWEZNQCLSA-N 389.474 -1.042 30 20 GAED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1337996562 LOYYPHQFWISZDR-HNNXBMFYSA-N 377.445 -1.248 30 20 GAED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588353371 PODCCFZOLLIMFK-WCQYABFASA-N 386.416 -1.237 30 20 GAED C=C(CCC(=O)O)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1588614770 BIVINSZZFARQBR-CYBMUJFWSA-N 387.458 -1.145 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1778969082 BPHNIAQDHVYNRX-KSMMKXTCSA-N 396.488 -1.018 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1783531135 CYJSGETZZOQTTM-JQCNWOQKSA-N 392.456 -1.041 30 20 GAED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031959 GFEUFDHVAYXCDQ-BJDJZHNGSA-N 384.458 -1.164 30 20 GAED NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788631268 HFSGMZCYYBLRGH-QAETUUGQSA-N 392.500 -1.049 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)S(N)(=O)=O 541028460 DZLRKPMTKMYHDO-NSHDSACASA-N 380.430 -1.605 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1O 964504660 ZKRMTQANYUWCLL-FQLMCAECSA-N 393.444 -1.359 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1219832021 GPGDDPMCFZBSFF-OXHZDVMGSA-N 376.417 -1.314 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1328649305 HVZKEFLLSRQACL-UHFFFAOYSA-N 393.469 -1.132 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[C@H](C)COC 1333467056 GBBNMEDGYRFUSY-CYBMUJFWSA-N 379.421 -1.607 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783256228 NFDHAENBJYDZSZ-VQIMIIECSA-N 397.472 -1.859 30 20 GAED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859089 YCSBJGHLLAFSJD-YWVIFJGQSA-N 392.416 -1.228 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@H](N)C3)CC2)cc1 423047416 VFKKCJRRVQXFSD-AWEZNQCLSA-N 391.453 -1.049 30 20 GAED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1093052691 GXDOJKTZEHMGJK-UTUOFQBUSA-N 379.446 -1.030 30 20 GAED C#CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C 1602722151 CWIMKRDAFARATB-ZWNOBZJWSA-N 384.400 -1.089 30 20 GAED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1779016243 AVUBFPXRYYLSRX-AEUYPJEVSA-N 390.448 -1.025 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1793346608 WSFLMPATFIBNFF-GUIRCDHDSA-N 395.412 -1.843 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837366672 JQHLIRHTECTBOT-MRXNPFEDSA-N 378.341 -2.593 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N3CCNCC3=O)C2)C1=O 262502922 IOLKFRQFYZBCSR-LBPRGKRZSA-N 377.401 -1.614 30 20 GAED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)n1cncn1 1791617084 SHGQHUFXYZSSEG-RFGFWPKPSA-N 375.385 -1.093 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840421 SVLQWKUSFPBWLI-RDTXWAMCSA-N 391.428 -1.077 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 772746614 BKPPHXUIEZXRCQ-UHFFFAOYSA-N 389.456 -1.943 30 20 GAED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cnn2C)c1=O 795198347 WFHQQYIFGFDKIH-UHFFFAOYSA-N 397.460 -1.053 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)[C@H]1CCCO1 842164146 RSLSYKUDLUCSAT-HRCADAONSA-N 376.457 -1.046 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1O 1077018640 ZBFAADFHTCBVON-FPCVCCKLSA-N 392.456 -1.274 30 20 GAED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1211937162 WHPUNUPZDMSIFY-GFCCVEGCSA-N 381.480 -1.684 30 20 GAED CC(C)NC(=O)CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1290221706 QMEDCRIWMNHUSL-UHFFFAOYSA-N 376.417 -1.121 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1=O 1588832715 WMEUMHVATUHUPJ-KRWDZBQOSA-N 394.384 -1.649 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262185 CPNJISNXMZSCOI-QGZVFWFLSA-N 383.401 -2.809 30 20 GAED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793358193 VTZGBCWLWRHANC-QFXBJFAPSA-N 397.472 -1.182 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1831401929 JUDGVZAPBGFONH-ZRGWGRIASA-N 393.440 -1.383 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840043024 CRTOUBJADNYXCP-QGZVFWFLSA-N 393.352 -1.675 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cncn1 1840420944 CBLCIZUPYIEYIP-SUMWQHHRSA-N 391.384 -1.617 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](NC(=O)CC)C2)CC1 459889557 VDHWNKRKEOOEQJ-OAHLLOKOSA-N 393.488 -1.050 30 20 GAED CN(CC(=O)NC[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 501828403 QPODZWVIYSMIBS-OAHLLOKOSA-N 396.469 -1.012 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(=O)OC)n2)CC1 787269690 BDXHXCLTAYJIBR-UHFFFAOYSA-N 395.441 -1.108 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 1109292842 ITHFEULBYCASCJ-RNJOBUHISA-N 376.421 -1.205 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O 1117433364 DHDJGXOEZXNARN-VXGBXAGGSA-N 394.457 -1.065 30 20 GAED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1=O 1118237844 MZZUOYLRWWJWMZ-GFCCVEGCSA-N 381.414 -2.260 30 20 GAED C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H](n3ccnn3)[C@H](NCC(=O)NCC#N)C2)C1 1129849962 FSICPIWEFZUHAE-SYQHCUMBSA-N 388.432 -1.826 30 20 GAED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 1219825747 JSELMLYZSGITHQ-CYGHRXIMSA-N 388.424 -1.056 30 20 GAED NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787425915 DCRKDZJUNYSELI-JTQASBFJSA-N 380.493 -1.276 30 20 GAED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040698 ULNKFGDMQKYVOQ-KSSFIOAISA-N 395.412 -1.555 30 20 GAED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 409482880 HCYIFEJYMLNOJY-LBPRGKRZSA-N 376.435 -1.153 30 20 GAED COC[C@H](CNS(=O)(=O)N(C)CCC#N)NS(=O)(=O)N(C)CCC#N 445741225 JJGDGOOAHWXKRX-LBPRGKRZSA-N 396.495 -1.639 30 20 GAED CCN1CCN(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C(=O)C1=O 530416009 BRFUJETWRRXXSH-UHFFFAOYSA-N 387.444 -1.061 30 20 GAED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1342053250 GGLLIUNAIJCTCZ-UHFFFAOYSA-N 393.469 -1.132 30 20 GAED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575005201 XBJBFYFRUDGCNZ-TZMCWYRMSA-N 376.417 -1.091 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1835359862 MBHGWHGPTVGRQX-WMZOPIPTSA-N 396.444 -1.603 30 20 GAED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839917252 ADEAOCOESKEDRX-GOSISDBHSA-N 398.460 -1.967 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)N2CCCC23CN(C(=O)CC#N)C3)n(C)c1=O 1841984392 QJKHGYNICPFVBH-UHFFFAOYSA-N 399.411 -1.449 30 20 GAED C=CCCOCCNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 289331304 CTUDKRBVBLFKQZ-UHFFFAOYSA-N 394.432 -1.816 30 20 GAED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C1 349498921 JORPVHHZOUMUBO-UHFFFAOYSA-N 390.491 -1.001 30 20 GAED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 1108910818 YTEMFCGYTRQMQQ-NDBYEHHHSA-N 376.421 -1.205 30 20 GAED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C1 1219652260 MAAKBXMEWKKLBH-VXNCWWDNSA-N 392.500 -1.356 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1329098555 HCOCSDDZYUSCJG-UHFFFAOYSA-N 378.385 -2.428 30 20 GAED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784479755 HPIGOWSPJYWMRT-AJNGGQMLSA-N 376.417 -1.309 30 20 GAED CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784937128 NXGYXJVHVLULLL-KKUMJFAQSA-N 379.413 -1.078 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)CC1 1793940586 DFAPAOOEZJYRFJ-LSCVPOLPSA-N 375.385 -1.522 30 20 GAED N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811924 UPWBRQMLTPLKNY-OTTOZOHSSA-N 396.448 -1.412 30 20 GAED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800576443 SKOGRRKCIDXFJC-XLMAVXFVSA-N 399.488 -1.546 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831402047 MEJIKJITIBYKPV-KBXCAEBGSA-N 381.429 -1.383 30 20 GAED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839717112 SQWLYZUJMDAPKB-GOSISDBHSA-N 390.396 -1.264 30 20 GAED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040868 CAGQRRSSCPRGQX-MRXNPFEDSA-N 377.357 -2.027 30 20 GAED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840264344 VHVYKKILNMGSNR-SFHVURJKSA-N 377.397 -1.056 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CCC(N)=O 1847263296 SIDBUDQCNIOAFE-MGFMJIJDSA-N 377.445 -1.361 30 20 GAED N#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 731240444 DXUNLMHRONOKKY-UHFFFAOYSA-N 380.382 -1.396 30 20 GAED C#CCN=c1nc(N2CCC(O)(CO)CC2)[nH]c(N2CCC(O)(CO)CC2)n1 1261658569 JPZZNKHIVRETCQ-UHFFFAOYSA-N 392.460 -2.014 30 20 GAED O=C(NCC#Cc1ccccc1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1325451347 XWJJKQXNTOQZMX-UHFFFAOYSA-N 381.396 -1.488 30 20 GAED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575005006 RUDJSXXJQBKYNQ-ZFWWWQNUSA-N 387.444 -1.374 30 20 GAED NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075944 HFLWJLOQPZMSHG-RVMXOQNASA-N 380.401 -2.353 30 20 GAED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 410992022 WBUPSJRIAXFTLT-HOTGVXAUSA-N 377.489 -1.015 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 468658439 KVJOQMLATOFVNG-ZWNOBZJWSA-N 394.409 -1.275 30 20 GAED C#CCN=c1nc(N2CC[C@H](CC(N)=O)C2)[nH]c(N2CC[C@H](CC(N)=O)C2)n1 808122129 LKYISAICYRQZDA-CHWSQXEVSA-N 386.460 -1.258 30 20 GAED C#CCO[C@@H](C)C(=O)NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588357591 NNWSQUDCFPHMSN-ZDUSSCGKSA-N 385.432 -1.067 30 20 GAED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588713455 LPBPNZGUNBBMNV-DGCLKSJQSA-N 398.387 -1.412 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(-c3nn[nH]n3)c2)CC1 1602725885 NPERYTDGQWJERC-UHFFFAOYSA-N 391.417 -1.121 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781243764 XSCBHWWSBVDBNY-DYJXEPLRSA-N 378.429 -1.191 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786885235 SXBCDSXWXPQOOP-YXMSTPNBSA-N 394.472 -1.403 30 20 GAED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796587621 HSCYUDYHCDQDFO-FVCICTRLSA-N 390.396 -1.179 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797583567 GFSKOMKSWGSLLK-SSZWKKLZSA-N 397.428 -1.321 30 20 GAED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1815067828 HUGCXEMQHZEICP-BDAKNGLRSA-N 393.425 -1.264 30 20 GAED NC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098455 LHZRKLJOVQWRBV-PXNSSMCTSA-N 386.452 -1.220 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837356036 MKAOZZDUQGYOQF-QGZVFWFLSA-N 377.401 -1.132 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840020000 JZDNQJMCLONWLP-SYCBYCMTSA-N 381.429 -1.318 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1840040268 SRPCJQYKRANDER-OAHLLOKOSA-N 380.382 -1.304 30 20 GAED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041427 LWXNRAKRFMVTPC-KRWDZBQOSA-N 376.369 -1.422 30 20 GAED Cn1c(=O)c2c(ncn2CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC#N)n(C)c1=O 1848152034 YLKIWOLUZMUQQC-RYUDHWBXSA-N 399.411 -1.451 30 20 GAED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)[C@@H](CO)C1 349501200 GFBLIZHTSBMQMA-VXGBXAGGSA-N 383.492 -1.445 30 20 GAED C=CCn1nnnc1Sc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561154917 SDLLFKHXGJKFFZ-QYVSTXNMSA-N 392.401 -1.239 30 20 GAED C=C(CNC(=O)CN(C)S(C)(=O)=O)CNC(=O)CN(C)S(C)(=O)=O 620748818 ZYRAKUJJMPLBOL-UHFFFAOYSA-N 384.480 -2.442 30 20 GAED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CNCC(=O)NCC#N 1106661113 JUBUIEMHTGDOKJ-APIJFGDWSA-N 379.461 -1.054 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]nc1S(N)(=O)=O 1109701823 HNFAOBOAKFYHAS-USWWRNFRSA-N 382.446 -1.306 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 1320741795 KYFIZUQHLUUTRX-UHFFFAOYSA-N 379.442 -1.374 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312269 VDJLTJWJOFMZNE-PXAZEXFGSA-N 379.369 -2.191 30 20 GAED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)CC1 1835633623 VOBARSQEDWXJRP-GOSISDBHSA-N 390.444 -1.413 30 20 GAED N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835656170 FUTCODNDVAFFHE-MRXNPFEDSA-N 398.441 -1.452 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835763350 AYWXXQFIRYWVAI-LJQANCHMSA-N 378.473 -1.158 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840042097 AOZARRRNWBEBOS-INIZCTEOSA-N 379.325 -1.462 30 20 GAED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O 349532554 CSEDYIIFAIZKOF-IJLUTSLNSA-N 399.516 -1.674 30 20 GAED COC(=O)[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)OC 518796145 UFEMIVQISAICBD-GFCCVEGCSA-N 391.427 -1.045 30 20 GAED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 581906357 UFIFBCBGDLMYQC-LSDHHAIUSA-N 399.407 -1.512 30 20 GAED O=C(NCC#CCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 594354825 ZBYPGEGSMXEZQP-YPMHNXCESA-N 383.382 -1.169 30 20 GAED C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)N(C)CCC#N 729628177 UAOQGBDRYIUUCT-JTQLQIEISA-N 376.373 -1.263 30 20 GAED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@H]2O)nn1 964279806 XKUFIBKBBRJYIG-COMQUAJESA-N 390.444 -1.120 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@@H]1O 970706998 LXSRONIEBQAHLQ-XEZLXBQYSA-N 378.385 -1.622 30 20 GAED C#Cc1ccc(C(=O)N(CCO)CCN[C@H](C)C(=O)NCc2cnn[nH]2)cn1 1575022457 PXIDYEHXWRQCCV-CYBMUJFWSA-N 385.428 -1.090 30 20 GAED C#CCNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353529 VZCOFWYEHVYIGQ-PIGZYNQJSA-N 386.416 -1.501 30 20 GAED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1835364294 PMOMYUOCTUUVQD-SFHVURJKSA-N 390.396 -1.328 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609698 PNMPDUAYPYCWMS-VNVHMNPZSA-N 378.381 -1.577 30 20 GAED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1129261677 FZBDGPFMLBZSSW-CBBWQLFWSA-N 378.433 -1.145 30 20 GAED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1343082610 ZQXUQQPILUEMFR-KGLIPLIRSA-N 389.474 -1.043 30 20 GAED N#C[C@]12CN(C(=O)C3(C(=O)O)CCS(=O)(=O)CC3)C[C@H]1CS(=O)(=O)C2 1594612081 XDSBXHFYHUTIBX-GXFFZTMASA-N 390.439 -1.337 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800526926 DMTCYTABVSWTIA-REWMNQOOSA-N 392.456 -1.041 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1831401510 AYKZKJTWUDUOCZ-KSSFIOAISA-N 397.428 -1.163 30 20 GAED N=C(N)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835569969 GIEHXBFMOCBESC-HXUWFJFHSA-N 399.451 -1.022 30 20 GAED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 349624506 UESUTRSPNJGEEV-NSHDSACASA-N 379.464 -1.751 30 20 GAED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 561929198 STQIUAQIJIKCSB-UHFFFAOYSA-N 376.421 -1.664 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)NCC(C)(C)N2CCOCC2)CC1 728571758 MGUADRQWWNCWBF-UHFFFAOYSA-N 379.505 -1.420 30 20 GAED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1129262578 TXOSEGNWZVLIQQ-ZOBORPQBSA-N 389.416 -2.598 30 20 GAED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1130014460 NPQQLLBQBILSEH-RQJABVFESA-N 388.432 -2.016 30 20 GAED C[C@@H](C(=O)NCC#CCNC(=O)[C@H](C)N1C(=O)CCC1=O)N1C(=O)CCC1=O 1321362004 VKEIGRXDEWEPMY-RYUDHWBXSA-N 390.396 -1.703 30 20 GAED C=CCNC(=O)CN1CC2(C[C@@H](NC(=O)[C@@H](C)OCc3cnn[nH]3)CO2)C1 1575103525 FNWLYSBXIDVCCN-CHWSQXEVSA-N 378.433 -1.029 30 20 GAED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800037 GEQDCYZFRMYUQJ-QXKUPLGCSA-N 394.472 -1.403 30 20 GAED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438721 SGXWAWSRXFISMB-CUSZFKRNSA-N 379.457 -1.054 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797697453 JEMFMGGZNBKKNB-OHTBPHCPSA-N 380.401 -1.628 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877390 AOFKAKHFDUAISW-KSSFIOAISA-N 391.428 -1.077 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)CC1 1835342732 NPTPJLAFMKNNTK-SFHVURJKSA-N 390.444 -1.413 30 20 GAED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041847 KPGVUXLHHQVLFD-PXAZEXFGSA-N 396.400 -2.022 30 20 GAED C=CCNC(=O)NC(=O)[C@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276082099 BBHMHLWFDAMOMA-NSHDSACASA-N 379.421 -1.651 30 20 GAED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)o1 287061706 XAXAJCLYMWQGRT-RYUDHWBXSA-N 375.428 -1.073 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC2(C(N)=O)CC2)CC1 542547829 WAXCVSYJEKKFNG-UHFFFAOYSA-N 391.453 -1.001 30 20 GAED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)CCCOC)CC2)CC1 770254931 VHGIWWTVBCOCPA-UHFFFAOYSA-N 386.518 -1.252 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nn1 964605088 HRCQAAWYPZNKBM-BYNQJWBRSA-N 376.417 -1.320 30 20 GAED C#CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1150005302 FTBXXHPLUVVTTO-UIBIWLFHSA-N 379.457 -1.006 30 20 GAED Cn1c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C#N)c(=O)n(C)c1=O 1319650597 DPUMYDZKMPJEKW-VXGBXAGGSA-N 383.430 -2.764 30 20 GAED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1337996563 LOYYPHQFWISZDR-OAHLLOKOSA-N 377.445 -1.248 30 20 GAED Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)cn1 1352334461 HXKKSGMXPOYZBZ-HIFRSBDPSA-N 385.428 -1.160 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782745810 WAIFENQIRKNSRY-FZKQIMNGSA-N 395.412 -1.602 30 20 GAED NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1815067831 HUGCXEMQHZEICP-IUCAKERBSA-N 393.425 -1.264 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1831401511 AYKZKJTWUDUOCZ-RDTXWAMCSA-N 397.428 -1.163 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1832729508 GMUACYVAEXRKRM-IBGZPJMESA-N 386.408 -1.099 30 20 GAED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833465358 ATICQVRTPDWFRH-PBHICJAKSA-N 379.505 -1.118 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)CC1 1835342556 VGQQPMRXOLZEPD-MRXNPFEDSA-N 375.389 -1.567 30 20 GAED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CN)C3)C2)c1 1838906067 ODEPLMWBFSBGQC-QFBILLFUSA-N 387.440 -1.086 30 20 GAED CNC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C1 349499873 SBZYFPKQVOLWHL-WDEREUQCSA-N 381.480 -1.459 30 20 GAED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 524749144 RJNCTIWNLSZVLI-UHFFFAOYSA-N 385.405 -1.111 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CCCO1 809313936 YWWIVXZQGDNKPP-JKSUJKDBSA-N 392.456 -1.714 30 20 GAED C[C@@H](N)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1345189685 FBVVQBWHKBEOFQ-GFCCVEGCSA-N 379.442 -1.145 30 20 GAED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC(=O)NCc2cnn[nH]2)C1 1574986207 VUPAPVVTATZRAG-ZFWWWQNUSA-N 387.444 -1.374 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784479470 CIDLNZVSJGXNLS-YXMSTPNBSA-N 394.472 -1.403 30 20 GAED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CCC1=O 1791072668 SJJGSBGZMIRINT-OBJOEFQTSA-N 390.396 -1.338 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800779038 MQFBPTIHNTVYNF-NWJSVONSSA-N 384.410 -1.759 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563241 BZGRFAKEWJPNLD-GLJUWKHASA-N 395.412 -1.411 30 20 GAED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840159771 NBMFYMHYLDSEQA-WBMJQRKESA-N 385.490 -1.399 30 20 GAED C#CCNC(=O)CN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1213191638 CLHVTOKLRXYKPF-APIJFGDWSA-N 380.445 -1.636 30 20 GAED CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1O 1219826170 SEAIYWKOVYRWOI-LNCBFAARSA-N 390.444 -1.218 30 20 GAED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579008517 XYCOWPUCTGTIDO-MRVPVSSYSA-N 377.390 -1.732 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952806 HNESJDLWZYWPOQ-SRVKXCTJSA-N 392.368 -2.394 30 20 GAED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800186647 FHSMTVASZFPTQX-QHBPRCKVSA-N 382.442 -1.852 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1839704270 HJMAYVHSDBHEBM-QGZVFWFLSA-N 383.401 -1.438 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840043607 JLZQCQBUHMFVGJ-MRXNPFEDSA-N 377.357 -2.178 30 20 GAED C[C@@H]1CNc2c(cccc2S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C1 2048532188 NCVPHVMJOKPOQM-AMJLCKCASA-N 391.442 -1.568 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)C1=O 278465949 YRJLNANZAFZSSK-OLZOCXBDSA-N 383.401 -1.164 30 20 GAED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C1=O 288371683 FBAMIXHUQXDSEV-KBPBESRZSA-N 388.428 -1.113 30 20 GAED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)c1C#N 349515497 WQTGIYAGTDSHNG-UHFFFAOYSA-N 377.448 -1.025 30 20 GAED CNS(=O)(=O)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 573026863 AJIOAYIMESBVHJ-ZDUSSCGKSA-N 386.455 -1.013 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1321229555 CTWRAHUBCZVWCC-VXGBXAGGSA-N 380.492 -1.004 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 1322787973 MJBPBVMUJRWODB-UHFFFAOYSA-N 384.502 -1.058 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C(=O)OC)C1=O 1602894448 CSOUVBCYHAGCSB-VHSXEESVSA-N 381.341 -1.172 30 20 GAED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)CC1 1786696325 UVCDZKZFMCYXRS-YHUYYLMFSA-N 392.456 -1.080 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829877583 GTSXFWVBEVYUME-GOSISDBHSA-N 379.413 -1.373 30 20 GAED Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1835847133 PJCFBUNJYQAKLU-MRXNPFEDSA-N 394.409 -1.117 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1839808197 NKZDGLLTYZURSE-SFHVURJKSA-N 390.396 -1.198 30 20 GAED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 349517295 ZXJDJQRPFOUFDY-QWHCGFSZSA-N 395.503 -1.301 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@H](C(=O)OC)C2)c1=O 844741900 SHZOCJMARMJRRU-STQMWFEESA-N 380.401 -1.237 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)nn1 963310291 NIUJGQFTGVCOSY-LPTSXCQYSA-N 378.389 -2.202 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1O 1023960529 OSHMJTUSDIJORW-TUVASFSCSA-N 381.429 -1.486 30 20 GAED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1219652416 ZIWPSINISVLDMX-LPWJVIDDSA-N 381.433 -1.926 30 20 GAED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cn1 1318195777 ZDDZBLKUOYKLRW-UHFFFAOYSA-N 386.437 -1.746 30 20 GAED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)n1ccnn1 1790643601 PLAMXMVQESISFS-RFGFWPKPSA-N 375.385 -1.093 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)CC1 1835338729 RCILWYZYKAGEMI-SJCJKPOMSA-N 378.385 -1.145 30 20 GAED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 287076741 VBKKAVGGGZIZOY-MRXNPFEDSA-N 385.472 -1.036 30 20 GAED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 349501198 GFBLIZHTSBMQMA-NWDGAFQWSA-N 383.492 -1.445 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)C1=O 600319792 NLQUFEQPWZYNSR-MNOVXSKESA-N 395.368 -1.084 30 20 GAED CN=c1[nH]c(=NC2CCN(CC#N)CC2)[nH]c(=NC2CCN(CC#N)CC2)[nH]1 610715727 XMVFAODFRXJYBP-UHFFFAOYSA-N 384.492 -1.021 30 20 GAED Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)NC(=O)CO3)c(=O)n(C)c1=O 788720617 PCGREGKRTYNFTK-UHFFFAOYSA-N 393.381 -1.273 30 20 GAED C#CCNC(=O)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1068418656 UGROZTHYUSXYNC-JSEZXORMSA-N 387.436 -1.011 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 1261181273 SQEYRKWQKOXHRX-ZDUSSCGKSA-N 377.463 -2.145 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 1332758185 SWYMRANTSNREDN-UHFFFAOYSA-N 381.476 -1.803 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CCC(=O)O)C[C@@H]1C 1588879256 XXPDZAPZNFUKKE-LBPRGKRZSA-N 375.447 -1.289 30 20 GAED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1783532758 FFYZMMKCXYNREY-LSFZBXBFSA-N 389.408 -1.088 30 20 GAED NC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443607 MCBBQSYVSREDQY-CIKSETCGSA-N 396.492 -1.800 30 20 GAED CN1CCO[C@H](C/N=C(/O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 329838260 NGVUPYVURABASR-GFCCVEGCSA-N 381.437 -1.807 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCOCCN(C)C)CC2)c1C#N 580794753 RNRGAFQFHDYCSN-UHFFFAOYSA-N 391.476 -1.057 30 20 GAED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)CC1 761032325 HHFSSJLTUDHTNV-DZGCQCFKSA-N 388.490 -1.225 30 20 GAED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 763460788 QTWGIHGLZXVTKH-UHFFFAOYSA-N 385.449 -1.141 30 20 GAED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@@H]1CCCO1 1323586332 ATYYHQSHIYDGKI-CABCVRRESA-N 390.440 -1.423 30 20 GAED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783896389 ZAHQMLLZPFCMIP-CJNGLKHVSA-N 375.491 -1.579 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839427 GWSWAOFVLQASEI-UGUYLWEFSA-N 391.472 -1.156 30 20 GAED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075601 BZTLRBOCRDGSCP-UNQGMJICSA-N 379.413 -1.079 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793346988 TWHPEFANKQVHLD-ZUMXRPEOSA-N 389.408 -1.461 30 20 GAED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)CC1 349516008 CKHBRMUTOPPIIN-LBPRGKRZSA-N 390.487 -1.012 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)CCCN2C(=O)CN(C)C2=O)CC1 733150787 VBNWHWZBZMEHOE-UHFFFAOYSA-N 377.445 -1.056 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](OC)C1 942587202 VXBXAURPEIBGPZ-YIYPIFLZSA-N 392.412 -1.118 30 20 GAED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329962760 URIRYLBBMYYOTQ-TZMCWYRMSA-N 383.474 -1.417 30 20 GAED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)CC1 1779090801 TWQJHZGBTKCWSB-KBXCAEBGSA-N 378.429 -1.229 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1797708390 VBYMKXQNNVDPTD-RGHULWKBSA-N 396.488 -1.258 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831401596 DGCOQSVLCFILBL-KSSFIOAISA-N 378.381 -1.431 30 20 GAED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838381310 CLDHLJKLATWZOU-UHFFFAOYSA-N 390.396 -1.051 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 349476168 ONIXEBCDQUEMNX-LLVKDONJSA-N 387.505 -1.390 30 20 GAED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349510248 PVQPTHHCQDCTLQ-NSHDSACASA-N 378.476 -1.108 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)C1=O 424501484 FLEVKNXFERCRRZ-GHMZBOCLSA-N 387.414 -2.058 30 20 GAED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124184 YOWNDOUXNZSYSY-MRXNPFEDSA-N 390.488 -1.144 30 20 GAED N#CCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668106 PFGGGRONZDRAKC-UHFFFAOYSA-N 394.409 -1.006 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)CC1 966005073 SEVVNZSIPAPHGX-FXUDXRNXSA-N 392.456 -1.948 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1n1ccnn1 990961701 HUPFVDHKNMBZMC-MQYQWHSLSA-N 387.404 -1.576 30 20 GAED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1O 1048714866 PJMPNRIMZBAUPE-QHLBIMPKSA-N 377.441 -1.029 30 20 GAED Cn1c(=O)[nH]c(N2CCN(c3ncccc3C#N)CC2)c(-c2nn[nH]n2)c1=O 1606203270 YPERNOAEIBLQIO-UHFFFAOYSA-N 380.372 -1.153 30 20 GAED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CCC1=O 1783557390 LHUIQSUZONSEAX-KRWDZBQOSA-N 376.369 -1.488 30 20 GAED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684311 RIZUTCGMLBLGQX-DRXBFXEBSA-N 392.412 -1.039 30 20 GAED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141901 GYDXKRXIVICGOY-MRXNPFEDSA-N 377.405 -1.321 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837729745 KWIDHAXJHAJVIH-WMLDXEAASA-N 382.417 -1.492 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918209 MKJHKQNNNICKCO-DYVFJYSZSA-N 382.417 -1.851 30 20 GAED CC(C)C/N=C(/O)NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330399877 ROBTZMPYNCARJF-UHFFFAOYSA-N 381.433 -1.034 30 20 GAED CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602244706 HYZACKWTDIXCNK-UHFFFAOYSA-N 378.477 -1.287 30 20 GAED N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 843461114 SDGGAUVLEXZJOM-JTNHKYCSSA-N 377.426 -1.085 30 20 GAED CC(C)CN1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 1322693964 LWAYODRKYRRQDV-FOCLMDBBSA-N 391.428 -1.044 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815691478 KXCQBCUBKSWFLJ-MRVPVSSYSA-N 375.370 -1.170 30 20 GAED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1840040016 LVUCZKQWVRFVPU-GOSISDBHSA-N 380.397 -1.043 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 349455092 HESUVEHRIIBNNT-SDDRHHMPSA-N 378.476 -1.265 30 20 GAED CN1CCN(C(=O)CCNC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787608488 HIKZTAKSEPMKGD-UHFFFAOYSA-N 387.444 -1.238 30 20 GAED C#CCCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 798203067 RUZLGMOZPCZQNA-UHFFFAOYSA-N 399.450 -1.110 30 20 GAED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 808283490 KUSHGSYOPRWBEF-LBPRGKRZSA-N 384.501 -1.526 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)O)C[C@H]2C(=O)OC)C1=O 833375860 IEPZGUROFOSNDA-UWVGGRQHSA-N 381.341 -1.172 30 20 GAED C=CCn1cc(C(=O)N2CCN(Cc3cnn[nH]3)[C@H]3CS(=O)(=O)C[C@H]32)nn1 1575111722 KASWZHMLGDSZSF-UONOGXRCSA-N 392.445 -1.294 30 20 GAED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2O)nn1 1588713782 TYDQZEHXEDAUGR-DGCLKSJQSA-N 398.387 -1.412 30 20 GAED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1781692842 JFASPZYLNMWTNQ-SJKOYZFVSA-N 385.384 -1.427 30 20 GAED CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(=O)C(=O)O 1783566372 VFRLBGPOFLYQHF-MRXNPFEDSA-N 381.341 -2.553 30 20 GAED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783931472 IEPRITBRJARUGH-IRXDYDNUSA-N 382.369 -1.480 30 20 GAED Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)no1 1791072666 SDJNYZDOSBDCEK-AVGNSLFASA-N 376.369 -1.012 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)CC1 1795519873 GGNAFCAARXQTAP-PTEHBNRSSA-N 386.345 -1.395 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797677389 DKCHGBVVULTJKV-SVECEJSWSA-N 389.412 -1.690 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1829765403 VRPBNDXUZJKMBF-XDXAGZTOSA-N 381.429 -1.052 30 20 GAED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839229201 DFALNTLILWLUIC-DYVFJYSZSA-N 399.448 -1.088 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784950140 KCFWPCZBKBWTIX-AVGNSLFASA-N 377.401 -1.178 30 20 GAED NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788659430 MVUQHEPDJISVHW-ZZHJNMDZSA-N 397.476 -1.219 30 20 GAED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806853334 RRGPNBTXCOMEDB-LBPRGKRZSA-N 390.396 -1.096 30 20 GAED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041504 QHWAIOCWXLNSAT-XCRHUMRWSA-N 381.429 -1.096 30 20 GAED CCOC(=O)CO/N=C(/C(=O)NCCS(=O)(=O)N(C)C)c1cc[nH]n1 292085828 XKAVOWWERCPJNV-SFQUDFHCSA-N 375.407 -1.299 30 20 GAED O=C(O)C(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 738516629 FNSMZAIIJKHIRF-UHFFFAOYSA-N 394.409 -1.129 30 20 GAED COCCCNC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916871421 VRRPQQBBSCZKCE-SNVBAGLBSA-N 376.373 -1.705 30 20 GAED C#CCNC(=O)CNCC1(NC(=O)[C@@H](C)OCc2cnn[nH]2)CCOCC1 1575004687 JDBYYWCCZCTPHI-CYBMUJFWSA-N 378.433 -1.286 30 20 GAED C#CCNC(=O)CN1CCC(CO)(NC(=O)CCOCc2cnn[nH]2)CC1 1575004761 LKSHLXHITLDXBI-UHFFFAOYSA-N 378.433 -1.596 30 20 GAED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785153326 CNJOIQZPVSWMFE-DGORSVRFSA-N 384.458 -1.118 30 20 GAED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(=O)O 1786898814 RRJVLOYDZDRZMK-RVMXOQNASA-N 381.385 -1.883 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831388269 WKWCICRTXIFDDS-KSSFIOAISA-N 391.428 -1.077 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)=O)CCO2 1834709542 CCQOEABJKLMXJJ-XDXAGZTOSA-N 379.413 -1.110 30 20 GAED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CS(C)(=O)=O)C2)c1=O 793701539 VLAFUURRFIOUQU-ZDUSSCGKSA-N 384.458 -1.132 30 20 GAED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnc1O 1109168526 ZHJHVHZGVCYWJN-WOPDTQHZSA-N 377.405 -1.283 30 20 GAED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1137336408 ZFIQULPBBOVPHK-CYBMUJFWSA-N 388.428 -1.024 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831425278 BJHFCGRNPHHXEU-UGSOOPFHSA-N 394.428 -1.090 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563245 BZGRFAKEWJPNLD-SUNYJGFJSA-N 395.412 -1.411 30 20 GAED CCOC(=O)CO/N=C(/C(=O)N1CCN(C(=O)CN(C)C)CC1)c1cc[nH]n1 277765533 DIFRFQSKBAWFDZ-CAPFRKAQSA-N 394.432 -1.074 30 20 GAED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 289118312 QPCGBBPWTMGEFR-HUUCEWRRSA-N 399.407 -1.117 30 20 GAED CC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349528257 XGFRLBMTPFDAMJ-GFCCVEGCSA-N 378.476 -1.108 30 20 GAED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(N)(=O)=O 541030638 SUOGSMCINDLUEZ-NSHDSACASA-N 380.430 -1.605 30 20 GAED CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 846260335 YDGQOGNCGPUERR-ZIAGYGMSSA-N 380.426 -1.061 30 20 GAED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 875599956 OFJVJRHFDQUNBW-INIZCTEOSA-N 394.472 -1.466 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968881812 ZFOPCMJFIVLBNA-ZWUHOBOKSA-N 379.413 -1.292 30 20 GAED COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1117608851 GSARUBHUDYNJOV-LLVKDONJSA-N 387.400 -1.048 30 20 GAED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784513194 XUCDFZUNVFEPLY-AVGNSLFASA-N 398.437 -1.040 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789760268 GVOZOYLLNWOODW-NQCBRMCBSA-N 379.457 -1.273 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1792490456 YCXRSAJLYZSDRP-QRGPAXONSA-N 390.440 -1.430 30 20 GAED Cn1c(N2CCN(CC(=O)Nc3nncs3)CC2)c(C#N)c(=O)n(C)c1=O 271228768 ALIOJFIXIJZNKC-UHFFFAOYSA-N 390.429 -1.432 30 20 GAED C#CC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CC#C)C(=O)OC)O1)C(=O)OC 854910566 XOKPZVFOWMZWJX-KPWCQOOUSA-N 378.381 -1.104 30 20 GAED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2O)CC1 1024131595 LDMVBQZKTFTVLF-MWQQHZPXSA-N 390.484 -1.066 30 20 GAED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C1 1345991306 SZFOOLVXRYKEDX-NEPJUHHUSA-N 381.385 -1.326 30 20 GAED C[C@@H](NCC(=O)NCC#N)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575371254 RANSVKMTZPXJDS-MFKMUULPSA-N 387.404 -1.346 30 20 GAED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1832452009 OZDUFFCVBZRUMX-MRXNPFEDSA-N 385.490 -1.155 30 20 GAED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1840172181 XKJKKHPADXZUSC-QGZVFWFLSA-N 380.401 -1.429 30 20 GAED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=N)N)C3)C2)CCC1 1840812659 CWSXSTHLSJQUKC-KRWDZBQOSA-N 378.433 -1.380 30 20 GAED C#CCN(C)CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 292915323 XVTZGDJTFUZUAZ-LSCFUAHRSA-N 376.417 -1.195 30 20 GAED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(CC(N)=O)C(=O)C3)CC2)c1 459896769 IQEXOOXMMMRUPT-UHFFFAOYSA-N 399.411 -2.242 30 20 GAED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CNC3)CC2)cc1 563611484 IXDVOWFKJOZDIF-UHFFFAOYSA-N 377.426 -1.521 30 20 GAED CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 846286961 PUOAYFNVMSGZTC-CQSZACIVSA-N 387.396 -1.794 30 20 GAED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1319559875 VOYLETUPTNVQCT-UHFFFAOYSA-N 377.405 -1.748 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 1323755405 DOCALXGAKGANHN-WCQYABFASA-N 397.457 -1.253 30 20 GAED CN(C[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1)S(C)(=O)=O 1326242059 UWPZORSUFBDWNV-CZUORRHYSA-N 386.474 -1.007 30 20 GAED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1 1601062057 DOVQDKXCAJBRTI-SJORKVTESA-N 380.401 -1.749 30 20 GAED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829702 LITJCDCIZPSDOZ-NFFDBFGFSA-N 392.412 -1.834 30 20 GAED COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794583248 LJUOEZBJMKQQDT-QHBPRCKVSA-N 376.369 -1.280 30 20 GAED NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1802162384 GAEOCGLUKAOJRY-XOIINTDNSA-N 392.456 -1.057 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 349531647 LOQLPPHNMASLFH-LLVKDONJSA-N 387.505 -1.390 30 20 GAED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCNS(=O)(=O)CC)CC1 365965989 YSFLFDGQJXNKDZ-UHFFFAOYSA-N 394.519 -1.987 30 20 GAED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1330318740 NEWNXFQXCDSXQI-UONOGXRCSA-N 383.474 -1.275 30 20 GAED CC[C@H](NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)N1CCOCC1 1332466333 PWEVBQSHNIMWJV-CABCVRRESA-N 377.445 -1.061 30 20 GAED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1783563223 YEXFDLTYHPEYQP-AWEZNQCLSA-N 389.301 -2.371 30 20 GAED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793344487 QFLKUBBENQVPQW-RPUYLAQPSA-N 395.456 -1.735 30 20 GAED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 459886325 NXTJHGFRVVLFRW-UHFFFAOYSA-N 399.411 -2.242 30 20 GAED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CO)CC1 495669339 IKOZNUZUIFDCAL-GFCCVEGCSA-N 380.426 -1.112 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)OC)[C@H]2C(=O)OC)C1=O 511304223 WPGPQXOKNMNSIW-PWSUYJOCSA-N 395.368 -1.084 30 20 GAED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 572543112 ZQWGPGFZOGOXSU-GHMZBOCLSA-N 375.428 -1.131 30 20 GAED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124183 YOWNDOUXNZSYSY-INIZCTEOSA-N 390.488 -1.144 30 20 GAED CCN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CCN2C1=O 1335586015 XVWAAYYWTRGBAS-UONOGXRCSA-N 388.428 -1.320 30 20 GAED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795462218 HIQZVFWWWSMBMZ-BTTYYORXSA-N 379.461 -1.054 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848558 NUSDOGSMMYMUOY-DPIQGUFMSA-N 389.364 -1.313 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)N2CCOCC2)C3)CCC1 1801984110 GHHOQXWIZJRPCP-FZKCQIBNSA-N 392.456 -1.080 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832025402 WQMCINDGWVXOBD-SFHVURJKSA-N 375.381 -1.609 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)C1=O 272461792 CPRNGOVVPDQLIT-MNOVXSKESA-N 395.368 -1.084 30 20 GAED C=CCNC(=O)NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 514684417 RRSMJRHNLZTDMF-UHFFFAOYSA-N 381.389 -1.489 30 20 GAED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 518214766 ATZZGDAAMCWSKU-OASPWFOLSA-N 387.439 -1.501 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COCCO3)CC2)c1C#N 551526552 NCMRIDYORIQLEB-ZDUSSCGKSA-N 376.417 -1.220 30 20 GAED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 595994681 INOANEFHRYJXQX-LSDHHAIUSA-N 397.439 -1.628 30 20 GAED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1109466910 DPGUPCCIJYDKEZ-FZKCQIBNSA-N 375.473 -1.380 30 20 GAED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)c2cnnn2C)CC1 1575005136 VUDYTOOYUDACBM-UHFFFAOYSA-N 385.432 -1.211 30 20 GAED CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784371875 HVLAGUZMPVXBDW-XUXIUFHCSA-N 379.413 -1.031 30 20 GAED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1CCCO1 773562317 WRTGXYGZOLFEDK-HZPDHXFCSA-N 399.517 -1.013 30 20 GAED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnc(O)nc2O)C1 969220831 DEJGFNCWYUQJHO-NOHGZBONSA-N 393.400 -1.044 30 20 GAED C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN[C@H](C)C1 1574937468 XJBXCXOBCYANRZ-NEPJUHHUSA-N 385.494 -1.011 30 20 GAED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072725 ZCPIOSNUBFJZAS-RFGFWPKPSA-N 379.413 -1.031 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358031 NTAVLPADOHHPIB-UGSOOPFHSA-N 394.428 -1.090 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837730340 WJGSBPSOUMSXHP-YJBOKZPZSA-N 396.444 -1.102 30 20 GAED CS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041281 CAFQAZYXMWOVSW-HNNXBMFYSA-N 388.398 -2.425 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cnnn1 1840475587 HJSBRJMFJSUGRT-GUYCJALGSA-N 389.416 -1.006 30 20 GAED N#CCNC(=O)CN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1108575581 DMWVKHDMYZGHMK-NGFQHRJXSA-N 375.429 -1.405 30 20 GAED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784479757 HPIGOWSPJYWMRT-QPSCCSFWSA-N 376.417 -1.309 30 20 GAED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797971762 RVHMPWRJKKBYJG-OQMKEHIESA-N 381.385 -2.185 30 20 GAED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839223831 ALESADBHTFZFKZ-GUYCJALGSA-N 398.464 -1.273 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842942450 CWPCTILDHHHLMG-VGVVRCBHSA-N 377.445 -1.359 30 20 GAED Cn1c(N)c(C(=O)CN(CCC#N)CCN2CCOCC2)c(=O)n(C)c1=O 298746064 PUCYVLXEWICNLR-UHFFFAOYSA-N 378.433 -1.603 30 20 GAED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)C(C)C 839247039 BQUXNYISIQDWGN-UHFFFAOYSA-N 380.445 -1.061 30 20 GAED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 848961428 WSANXNCYOKDLSW-ZDUSSCGKSA-N 390.487 -1.343 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1111226504 HZCWEYJIHCNLOF-UPJWGTAASA-N 375.429 -1.212 30 20 GAED Cn1nc(Br)c2c(=O)n(CC(=O)NCC(=O)NCC#N)cnc21 1323970235 XLUYHMLUSGNELV-UHFFFAOYSA-N 382.178 -1.352 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831391058 FHXXXYFETGVXSY-DOXZYTNZSA-N 393.440 -1.240 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837404656 ASGLVCMOEKHQSF-ACJLOTCBSA-N 398.460 -1.316 30 20 GAED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCCS(=O)(=O)C2)CC1 329789415 SKFDKCPVOQQJDJ-CQSZACIVSA-N 388.490 -1.046 30 20 GAED COc1cc(NC(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)c(F)cc1C#N 599980649 AUDGTDPBONFXRW-UHFFFAOYSA-N 377.332 -1.199 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 942566419 FHPJDSRJZHAGFV-APIJFGDWSA-N 393.444 -1.095 30 20 GAED C#CC1CCN(C(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 1118250377 PTKLABOFRWSAFV-UHFFFAOYSA-N 388.428 -1.653 30 20 GAED CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1118987473 VMXFGIQPMDFWNC-OAHLLOKOSA-N 376.461 -1.582 30 20 GAED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 1213555386 KKPSTDBIVJJTLI-KCYZZUKISA-N 390.444 -1.257 30 20 GAED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564872 NXIPJPXOJMJWOE-DYVFJYSZSA-N 375.385 -1.168 30 20 GAED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1798693909 DGMUAOHZJYBVFO-ZWUHOBOKSA-N 388.428 -1.318 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 1799937689 NMNKZZBMGYNZFI-DRXBFXEBSA-N 388.380 -1.043 30 20 GAED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1830055824 DNWXJGROGANNQA-GOSISDBHSA-N 392.460 -1.167 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832800510 SLWFXCRYCGUDLS-INIZCTEOSA-N 377.357 -1.119 30 20 GAED N#Cc1ncccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 277044986 PPVJWPZNWVJBGH-STQMWFEESA-N 386.455 -1.271 30 20 GAED CNC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C1 349489403 GRVNOXFGZXQCBB-RYUDHWBXSA-N 395.507 -1.117 30 20 GAED NS(=O)(=O)[C@H]1CCCN(CC#CCN2CCC[C@@H](S(N)(=O)=O)C2)C1 367464281 RGZSDNRQCRLZLG-OKILXGFUSA-N 378.520 -1.504 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 766799762 OEUFXIMQUQJLNZ-UHFFFAOYSA-N 386.474 -1.563 30 20 GAED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cn1 772315057 QXNLYLZQUSJUOG-UHFFFAOYSA-N 398.448 -1.182 30 20 GAED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[C@@H]1CCCO1 773561757 RNEIIJKWRAZCJM-CABCVRRESA-N 378.429 -1.120 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(=O)n(C)c1=O 1110624330 NMMGDKLCMZZHAQ-MCIONIFRSA-N 375.429 -1.429 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 1256495486 JASATULKXYTNFG-UHFFFAOYSA-N 382.446 -2.186 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 1323755403 DOCALXGAKGANHN-AAEUAGOBSA-N 397.457 -1.253 30 20 GAED C#CCO[C@@H](C)C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573287658 PJFFOYUHPZLAKU-NSHDSACASA-N 387.400 -1.074 30 20 GAED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@H]1O 1588358711 ZVMKCTGEQXHPSX-RAIGVLPGSA-N 386.416 -1.077 30 20 GAED C#CC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833764047 HHZVUJQRKRJVQU-AWEZNQCLSA-N 375.429 -1.211 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837971840 JTHFRKORPVCOOE-SFHVURJKSA-N 392.364 -1.070 30 20 GAED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1839173330 KLHXPZSXYMHKOU-KRWDZBQOSA-N 386.401 -1.737 30 20 GAED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCNc1ncccc1C#N 787788039 TWYWCKCPNULTJT-HNNXBMFYSA-N 390.444 -1.367 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1O 1025711148 HEXXOPOASVDBGX-WFFHOREQSA-N 378.389 -2.344 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1110062239 MAOMJTARHYDVLK-AGIUHOORSA-N 375.429 -1.212 30 20 GAED C#CCN1CCC(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[nH]n3)cn2)CC1 1602717951 KAFPZVIHBDVUOM-ZDUSSCGKSA-N 385.432 -1.109 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800537434 SPBNWBSGTQHIHX-KQLJBOCNSA-N 392.456 -1.039 30 20 GAED N#C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 442956361 IWXOZVJHRLZBMT-BETUJISGSA-N 392.459 -1.515 30 20 GAED C#CCNC(=O)CN[C@@H](CO)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575004996 RKJHVGJHPIDXSA-OAHLLOKOSA-N 377.449 -2.167 30 20 GAED C#CCNC(=O)CC(=O)N1CCC2(C1)CN(C(=O)[C@H](C)OCc1cnn[nH]1)C2 1575004998 RNROYUYVDFWRGI-ZDUSSCGKSA-N 388.428 -1.090 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1792490847 PQJIJIWUDCXQAM-BEXDMUFCSA-N 388.428 -1.274 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800777127 FTWXQUHQVBHRKR-KEODLESXSA-N 388.336 -1.534 30 20 GAED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831425216 RSTRIOMHZKKGBW-WMLDXEAASA-N 394.432 -1.279 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1840842607 PVPBQPUCGJBJBS-MJGOQNOKSA-N 395.456 -1.493 30 20 GAED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CNC[C@H]2C#N)c1 834512043 REXVEKKEGWVYOQ-OCCSQVGLSA-N 379.442 -1.106 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 969701668 DYJSQSRUELUXHQ-KBXIAJHMSA-N 393.444 -1.441 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1O 970711321 BJBUOCOOUXEGET-MQYQWHSLSA-N 379.417 -1.749 30 20 GAED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1213192790 XHEWZQFGGQPEDB-YIYPIFLZSA-N 381.433 -1.745 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2cn(Cc3noc(C)n3)nn2)CC1 1324826729 AOFMWWOPVHPWJC-UHFFFAOYSA-N 386.416 -1.085 30 20 GAED COCCOCCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1331995529 HOAPCZKMTPFYMS-KRWDZBQOSA-N 393.488 -1.008 30 20 GAED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1602882314 HSTXVTNJVJMJEQ-YPMHNXCESA-N 398.387 -1.412 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800984944 MQRVBMOACIAZCO-XPORZQOISA-N 375.447 -1.041 30 20 GAED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781213 ISZFBGNFEHFAOK-XJKSGUPXSA-N 385.442 -1.066 30 20 GAED Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 348336356 CMAGOKGSAVPNPU-LLVKDONJSA-N 380.427 -1.364 30 20 GAED COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 365170706 MWTLEUDGCFWEKS-GFCCVEGCSA-N 399.473 -1.168 30 20 GAED COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 516937885 GFPDZVUGOWDHOD-CABZTGNLSA-N 391.427 -1.311 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 567916014 GCNMPODGLJMONL-OCCSQVGLSA-N 377.426 -1.393 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 728534988 USYYZXNVFOERBV-UHFFFAOYSA-N 384.502 -1.058 30 20 GAED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 779551249 XKHJRAWCAUBTKZ-UHFFFAOYSA-N 388.409 -1.014 30 20 GAED C#C[C@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 793741894 GPUZNPGQTLIPTL-KBPBESRZSA-N 386.474 -2.023 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CNC1=O 1111379265 AOVGKNVTECYEAG-MCIONIFRSA-N 375.429 -1.211 30 20 GAED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)nn1 1332047603 WYWZVCXADJRUMX-HNNXBMFYSA-N 391.476 -1.397 30 20 GAED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCN(O)C1=O 1589974477 QFAHGYOLIMBNID-GZMMTYOYSA-N 395.401 -1.360 30 20 GAED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835597573 KBYZUNDQCOADMJ-QANKJYHBSA-N 381.429 -1.096 30 20 GAED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C2)C1 1839808421 ZUAMTTUVDGYDNZ-BTJLNZGRSA-N 394.453 -1.122 30 20 GAED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042518 YSTPPCRTAVDKKM-FZKQIMNGSA-N 393.396 -1.779 30 20 GAED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](O)[C@H](O)C2)CC1 444718756 PIJLRAYWBRRYPF-GASCZTMLSA-N 394.453 -1.571 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 779764762 JSIOBFLTPMIFAX-DLBZAZTESA-N 385.424 -1.149 30 20 GAED CCc1nn(C)c(OC)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883122 AWERYQVCVXYXLD-UHFFFAOYSA-N 384.418 -1.299 30 20 GAED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)O1 962347053 MLUNZGNAPPKUNR-CBBWQLFWSA-N 389.412 -1.176 30 20 GAED C#CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588355041 CLMXPJFDRAJFKD-PIGZYNQJSA-N 387.400 -1.074 30 20 GAED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)O 1588405515 QMVKQOFKYCUOKF-GFCCVEGCSA-N 388.423 -1.039 30 20 GAED C=CCNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588656913 BWAKEJVYJNXUGB-CMPLNLGQSA-N 376.421 -1.092 30 20 GAED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1785418108 LLXMDZXYXROSIA-SFHVURJKSA-N 397.497 -1.040 30 20 GAED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788650957 VPOWKMPUPBZLSL-YRBFXIGRSA-N 380.445 -1.080 30 20 GAED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)n1cncn1 1791078172 WJTFTOYQHBWYQU-XUXIUFHCSA-N 375.385 -1.093 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837515466 VPPYVQGITJETGY-WBVHZDCISA-N 382.417 -1.993 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 409595426 PUULVONAFBRIJD-NEPJUHHUSA-N 380.492 -1.052 30 20 GAED CS(=O)(=O)N1CC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 589491942 XWVGLEPEHRDQIT-UHFFFAOYSA-N 386.455 -1.156 30 20 GAED C#CCN1CCN(C(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)CC1 750003451 FJWGBAJNMOMOPF-CQSZACIVSA-N 391.428 -2.067 30 20 GAED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CC3)nc2n(C)c1=O 793196972 YOECJZGICOXIFU-UHFFFAOYSA-N 377.382 -1.004 30 20 GAED CS(=O)(=O)NC1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 862840401 GUAXMJYDHNEYJD-UHFFFAOYSA-N 386.455 -1.125 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1O 964613827 PRXDQPDYQLCBCJ-NDBYEHHHSA-N 380.401 -1.793 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1109849242 JNCAPMKLCZWKOP-RDBSUJKOSA-N 375.429 -1.050 30 20 GAED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 1129898113 MTHVMUJUGQHJTL-GBOPCIDUSA-N 383.416 -1.214 30 20 GAED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)c2cn(C)nn2)CC1 1575004861 OGKBMYIRFWKJRH-UHFFFAOYSA-N 385.432 -1.211 30 20 GAED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O 1588351579 ZRFANWNZBOGMCE-RDBSUJKOSA-N 383.416 -1.580 30 20 GAED C#CCN1CCN(C(=O)CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)CC1 1588477717 ZDJPJXZXVXKAHJ-STQMWFEESA-N 377.401 -2.157 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1791072345 DPKPLGAXERCDPO-YFKTTZPYSA-N 392.368 -2.348 30 20 GAED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(CCO)CCO)C3)C1 1792443043 OQPUAOPKKHZHRH-ALXJQNPVSA-N 381.473 -1.171 30 20 GAED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836488846 IALUOBKHYCYHGP-KBXCAEBGSA-N 396.492 -1.989 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1839920399 XUJWFZVIOWGRJH-LJQANCHMSA-N 397.472 -1.857 30 20 GAED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039649 BQRLIKQPJRSECU-YVEFUNNKSA-N 381.385 -1.958 30 20 GAED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 349497875 CHHNKLFROKBCGP-CYBMUJFWSA-N 375.476 -1.179 30 20 GAED C=CCSCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 585774119 GKMXWIJISGGBMI-UHFFFAOYSA-N 378.520 -1.285 30 20 GAED C=CCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nn1 648730694 NIMOJGLRLPOIOJ-UHFFFAOYSA-N 383.478 -1.286 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)nc2O)C1 963330198 JBLGOKFEEFAYOG-ZZVYKPCYSA-N 392.412 -1.231 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n(C)c2=O)C1 1024993335 OHLMRLXMEWVNKB-ASEORRQLSA-N 392.412 -1.231 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCCS1(=O)=O 1110817075 LKZSNWWASWAKNT-KFWWJZLASA-N 382.486 -1.117 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871314 DTOWOCCEMNWBRE-SJKOYZFVSA-N 379.369 -2.333 30 20 GAED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197311 RRZDJRIYYQOHMG-CQSZACIVSA-N 387.396 -1.252 30 20 GAED COC(=O)Cn1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nn1 574328723 WPCFQSCAPPHTOB-UHFFFAOYSA-N 392.397 -1.083 30 20 GAED Cc1nnc(N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(C(N)=O)c1C 609193545 QLDVGBAPYGYTHP-UHFFFAOYSA-N 398.427 -1.212 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1117436084 DXBWUASUGNAHRV-AWEZNQCLSA-N 387.458 -1.595 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831387456 IFAQDLMWYJAVEF-QWQRMKEZSA-N 395.412 -1.411 30 20 GAED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 371736869 ZEPSRVHIXCWLSP-UHFFFAOYSA-N 394.388 -0.513 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1O 964502715 DAKGPQLSUXNXQW-XFMPKHEZSA-N 379.417 -1.749 30 20 GAED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1196206404 BYHPDBPUFYITBN-GBJTYRQASA-N 379.461 -1.366 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442375 PIARLJUQFHQDAU-NHCYSSNCSA-N 390.352 -1.431 30 20 GAED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)C2)CC1 1835558666 GUOSFNZVPFYTCQ-UGSOOPFHSA-N 393.444 -1.661 30 20 GAED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837396371 BLFQKPAGEIPHRP-SCLBCKFNSA-N 397.476 -1.501 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838071894 XETFQNYFXGRBFV-MRXNPFEDSA-N 378.341 -1.727 30 20 GAED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838685878 VLOUXUPAZBQNSM-QGZVFWFLSA-N 376.369 -1.124 30 20 GAED C=CCCOCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 671356884 BCROGBSEVZPSEE-UHFFFAOYSA-N 376.479 -1.611 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1O 964489115 BOGXIAGWBYTEMR-LKQDWFRTSA-N 379.413 -1.196 30 20 GAED CN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1710988238 RUSCRILDZRBYLN-VXGBXAGGSA-N 382.446 -1.003 30 20 GAED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)CC1 1793830851 RZHWXPFAKKEBNS-GNXNZQSNSA-N 375.385 -1.568 30 20 GAED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1834766981 ISPNAVLXVUQJIK-XJKSGUPXSA-N 385.442 -1.066 30 20 GAED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835261104 FVHPDVDSSZPMCX-OAHLLOKOSA-N 388.398 -2.425 30 20 GAED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835413426 BTPAQLJXZLNUDB-SFHVURJKSA-N 393.396 -1.847 30 20 GAED O=C(NCC#CCNC(=O)[C@H]1CN2CCCN1CC2)[C@@H]1CN2CCCN1CC2 681340821 PMXPWITUPMVDRI-HDICACEKSA-N 388.516 -1.998 30 20 GAED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)Cn1cnc(C#N)n1 820788428 GXAAMFUCXBXDPA-SNVBAGLBSA-N 380.376 -1.143 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791603981 LPQOSMKUSURSSF-IHRRRGAJSA-N 388.380 -1.077 30 20 GAED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795600935 KOOZFDPPLOPZPU-YWVIFJGQSA-N 376.413 -1.054 30 20 GAED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777097 BPWVAAPPAGYYIR-DJBIQUGXSA-N 383.357 -2.272 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1832326520 KDBKEUMJIRNXEO-INIZCTEOSA-N 379.373 -2.092 30 20 GAED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835252499 RAJSKVXFKBLHPO-INIZCTEOSA-N 385.442 -1.209 30 20 GAED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1840262639 ZAFCBUFGXJXBGB-SFHVURJKSA-N 390.396 -1.328 30 20 GAED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349516416 CWZWWAMGKAQCMS-LBPRGKRZSA-N 380.492 -1.052 30 20 GAED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 728531188 BPMKRPRJOIEVGK-UHFFFAOYSA-N 382.446 -2.408 30 20 GAED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 800001799 NSMZBRCAHQITOE-ZDUSSCGKSA-N 395.507 -1.340 30 20 GAED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCS(C)(=O)=O 1117107868 QQAGJHXQRPIYAW-LLVKDONJSA-N 380.430 -1.454 30 20 GAED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#CCO 1326768492 SINAVOYQQGYDQK-AWEZNQCLSA-N 388.467 -1.120 30 20 GAED C#CCN(C(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(C)C 1338205720 FCDBMMBPSQVVDM-UHFFFAOYSA-N 376.413 -1.324 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1792490069 JHAZQWWFLNRPRL-BBHUDJRVSA-N 378.429 -1.300 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795386958 IJRXXWRGIYXFIV-ZMOQGBSYSA-N 390.440 -1.287 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777098 BPWVAAPPAGYYIR-RDBQEKCUSA-N 383.357 -2.272 30 20 GAED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2 1836769623 SEWIMAYHGGPKBC-LJQANCHMSA-N 392.456 -1.760 30 20 GAED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 409586867 LWBDIFCRBKDQCV-RDBSUJKOSA-N 394.519 -1.200 30 20 GAED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 567916013 GCNMPODGLJMONL-JSGCOSHPSA-N 377.426 -1.393 30 20 GAED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 595988059 NQUAXLCJUXTBJE-HOTGVXAUSA-N 396.451 -1.023 30 20 GAED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)[C@@H]1CCCO1 842164159 RSLSYKUDLUCSAT-PMPSAXMXSA-N 376.457 -1.046 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c(=O)cc[nH]c23)C[C@H]1O 1025711063 CFIIEOWPIVTMNA-ZRJCITRHSA-N 387.396 -1.085 30 20 GAED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1 1118249894 KOGLKVCGDIPQLU-CJNGLKHVSA-N 384.458 -1.110 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCOC[C@H]2OCCOC)CC1 1261122141 BGRGZIRQFRWFMF-JKSUJKDBSA-N 395.456 -1.089 30 20 GAED C=C[C@@H](COC)NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1328816035 ORRCPCZVQAAAEJ-QWHCGFSZSA-N 377.463 -1.092 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789913502 BXYALAVODKATKE-YBVPMBIDSA-N 395.456 -1.167 30 20 GAED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790912075 NCNXPBPFKKUVGB-ULQDDVLXSA-N 381.473 -1.334 30 20 GAED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1795418765 MQUYVENQSLRIDT-QHBPRCKVSA-N 385.384 -1.075 30 20 GAED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831877522 URYVUCYOSZVXDN-SFHVURJKSA-N 390.396 -1.113 30 20 GAED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(C#N)n2)CC1 1326819945 CCIQNRNQEBURJE-UHFFFAOYSA-N 380.430 -1.415 30 20 GAED C#CCSCCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1346611003 UIURADMSCXTUNZ-UHFFFAOYSA-N 382.486 -1.528 30 20 GAED N#C[C@]12CN(S(=O)(=O)N3CCC(C(=O)O)CC3)C[C@H]1CS(=O)(=O)C2 1594611742 BGJYQXAMDCMLBW-WCQYABFASA-N 377.444 -1.102 30 20 GAED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807616624 CJAGEJNQFRUFSU-DYVFJYSZSA-N 383.368 -1.138 30 20 GAED COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 468664092 WLBFSAQRZBIPEX-ZWNOBZJWSA-N 394.409 -1.275 30 20 GAED C=CCC1(S(=O)(=O)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 810986904 RJDXSMMXKZPKGS-UHFFFAOYSA-N 381.414 -1.012 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 1024134781 IBWNANFREATQKS-OXHZDVMGSA-N 392.416 -1.954 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N2CCN(C)CC2)CC1 1520191936 OODPSYUIEQPTDH-OAHLLOKOSA-N 386.522 -1.583 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777833908 YDTCIVIAUXXHJA-KRWDZBQOSA-N 384.352 -1.344 30 20 GAED NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558571 ZSNKUDPLWFOBDB-GOSISDBHSA-N 386.364 -1.288 30 20 GAED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835641471 HVBCWJYCHZYXLV-GOSISDBHSA-N 377.445 -1.304 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840040437 LJQKEAHCZAQJKN-GOSISDBHSA-N 379.413 -1.373 30 20 GAED CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349533915 RPZAZLWAIAXBOU-LLVKDONJSA-N 398.532 -1.345 30 20 GAED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 444578351 YBRJWOCKGWHNOR-UHFFFAOYSA-N 387.444 -0.498 30 20 GAED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 588128759 JHMCBPOZHQJQHH-UHFFFAOYSA-N 390.488 -1.143 30 20 GAED C#CCNC(=O)CN1CCCN(C(=O)c2ccnc3c(C(N)=O)cnn23)CC1 1116386437 QATDNFGDBXESHN-UHFFFAOYSA-N 383.412 -1.275 30 20 GAED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 1325786158 JQAGZCRQONAQAF-INIZCTEOSA-N 385.490 -1.168 30 20 GAED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1 1329131667 XUDNTILXSFPUPP-QWHCGFSZSA-N 385.442 -2.097 30 20 GAED C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)O)C1 1602901539 OEMLRPUZVJFQAL-GRYCIOLGSA-N 392.416 -1.197 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797168408 VOQLPHVEMLASTQ-DRXBFXEBSA-N 379.369 -1.494 30 20 GAED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838685874 VLOUXUPAZBQNSM-KRWDZBQOSA-N 376.369 -1.124 30 20 GAED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839810039 ARYALUWQYUNFDH-KRWDZBQOSA-N 376.369 -1.349 30 20 GAED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044388 HMGHLRRSTDOWEG-GOSISDBHSA-N 390.396 -1.264 30 20 GAED CCOC(=O)CON=C(C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC)c1cc[nH]n1 855472655 DMKDURRTEOLPCD-WDEREUQCSA-N 388.402 -1.378 30 20 GAED N#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1609494379 CFNINSFFMJNLMK-LLVKDONJSA-N 377.386 -1.104 30 20 GAED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1786860643 LWDRAEKWRSZZEK-IHRRRGAJSA-N 394.476 -1.084 30 20 GAED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839880904 FWLFMIUDMDFUKK-SJCJKPOMSA-N 381.385 -1.945 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CC)C(=O)N2CCOCC2)C1=O 288414424 ZKNDCZNQXUGNLD-ZIAGYGMSSA-N 380.445 -1.015 30 20 GAED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 349531648 LOQLPPHNMASLFH-NSHDSACASA-N 387.505 -1.390 30 20 GAED CN1CCN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)CC1 527128231 YOEDOWBZABNFBO-UHFFFAOYSA-N 384.506 -1.341 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 1323755406 DOCALXGAKGANHN-YPMHNXCESA-N 397.457 -1.253 30 20 GAED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778960953 HYHVFJGYGAGGJV-SJCJKPOMSA-N 380.401 -1.388 30 20 GAED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831517917 KCOJNMLVCNHNMW-OWQGQXMQSA-N 382.413 -1.062 30 20 GAED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1835597574 KBYZUNDQCOADMJ-XCRHUMRWSA-N 381.429 -1.096 30 20 GAED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040828 ABMZUHZPRYUDKK-SFHVURJKSA-N 395.412 -1.601 30 20 GAED C/N=C(/NCc1ccc(C(N)=O)o1)N1CCN(CC(=O)N2CCOCC2)CC1 262376330 JODIBVXZKXOHHT-UHFFFAOYSA-N 392.460 -1.070 30 20 GAED Cn1c(COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc(=O)n(C)c1=O 808438112 RSRGBWQCDXLUHD-UHFFFAOYSA-N 392.393 -1.023 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 831585714 YWGHZEFNHPKWAO-GHMZBOCLSA-N 396.391 -1.087 30 20 GAED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 846286959 PUOAYFNVMSGZTC-AWEZNQCLSA-N 387.396 -1.794 30 20 GAED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CC(=O)NC)CC2)C1=O 1323180629 CQXNQSAQESMFQR-CQSZACIVSA-N 379.461 -1.442 30 20 GAED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nnnn3C3CC3)CC2)c1C#N 1323562971 GBQMCHPTJHJPLR-UHFFFAOYSA-N 398.431 -1.113 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779094090 CBFTZBHSSYKONT-WBVHZDCISA-N 381.385 -2.445 30 20 GAED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831397564 SKEHUJQNUVZEGF-PASDCYSWSA-N 395.456 -1.796 30 20 GAED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836490887 OYIFJDABXNMFHX-PMUMKWKESA-N 384.477 -1.698 30 20 GAED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1837503966 ZMBMDOIRABHLOQ-YJBOKZPZSA-N 396.396 -1.429 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1840043401 VZISJLRFARXYOV-SFHVURJKSA-N 389.364 -1.055 30 20 GAED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccn1 1840444826 VPIJGYZFYPOXAH-KBXCAEBGSA-N 390.396 -1.012 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1840841826 YBRFZZLIAUIIAG-KDOFPFPSSA-N 381.429 -1.081 30 20 GAED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 267394460 PIIQSIOQGHVBJK-UHFFFAOYSA-N 398.383 -1.137 30 20 GAED COCCCS(=O)(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 269373768 QAMJXDRKJZXBHW-UHFFFAOYSA-N 385.446 -1.556 30 20 GAED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)C2)n1 349532165 AKHKZSXTAQOZAJ-UHFFFAOYSA-N 387.443 -1.153 30 20 GAED N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCO1 409482875 GQCQHVYTTIFHNI-QWHCGFSZSA-N 378.476 -1.045 30 20 GAED CN(CC(=O)NC[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 501828402 QPODZWVIYSMIBS-HNNXBMFYSA-N 396.469 -1.012 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 1024659964 ZFOPCMJFIVLBNA-VLXAULBPSA-N 379.413 -1.292 30 20 GAED Cn1c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C#N)c(=O)n(C)c1=O 1319650594 DPUMYDZKMPJEKW-NEPJUHHUSA-N 383.430 -2.764 30 20 GAED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1329446344 BAOZKLSADFUWIB-SCLBCKFNSA-N 377.445 -1.325 30 20 GAED N#CCSCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1581858619 NPKXGULDBLIWIH-ONGXEEELSA-N 375.418 -1.031 30 20 GAED C=C[C@@](C)(O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588500785 DCWVHEKHMRXDHR-XHBSWPGZSA-N 375.389 -1.177 30 20 GAED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086260 DSJROPYNUKOAPY-IEBWSBKVSA-N 377.441 -1.120 30 20 GAED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1792490455 YCXRSAJLYZSDRP-LAFHWFQWSA-N 390.440 -1.430 30 20 GAED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(=O)C(=O)O 1839703008 PUYZIUFMGRQSLB-INIZCTEOSA-N 382.373 -2.101 30 20 GAED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n[nH]1 1840042359 PYYYYWGBSWCEIW-GOSISDBHSA-N 390.396 -1.195 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(CCO)CCO 1847262001 MFPWVGMVRIIVPY-HFZJXRFXSA-N 394.472 -1.667 30 20 GAED Cn1ccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 591713896 FOGUYUSIIOGAPU-UHFFFAOYSA-N 376.398 -0.675 30 20 GAED Cn1cc(C#N)c(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 610563259 XQCZIMDRVWKLBO-UHFFFAOYSA-N 375.389 -1.173 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)CN2CCOCC2)CC1 896633345 SUARWWNOGGMDJY-OAHLLOKOSA-N 387.506 -1.108 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 960978625 RALTUAFUMFORPB-ZOBORPQBSA-N 392.412 -1.433 30 20 GAED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCN1C1CC1 1331947085 UMNBSROIHISEGQ-INIZCTEOSA-N 388.472 -1.392 30 20 GAED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1790792261 DSWCBIWZOGKCHQ-ULQDDVLXSA-N 376.457 -1.237 30 20 GAED N=C1NCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835632061 CFGQIFXMRNVYDH-IBGZPJMESA-N 389.456 -1.304 30 20 GAED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(=O)O 1835764558 WIEWZSCDCJZVQN-PXAZEXFGSA-N 397.384 -2.407 30 20 GAED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840039872 BXXYRMUVFFMEAU-UGSOOPFHSA-N 393.396 -1.943 30 20 GAED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1840840382 PKVKFPREKHPLFU-SFHVURJKSA-N 392.412 -1.592 30 20 GAED C#CCNC(=O)CN1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 735381982 UKTRQNZAOIMSPH-UHFFFAOYSA-N 387.404 -2.865 30 20 GAED C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 764374739 RYUGZOXUDYQNEN-ZDUSSCGKSA-N 379.504 -1.235 30 20 GAED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 970669252 PQKRRRMFMTWGFC-TWMKSMIVSA-N 390.484 -1.079 30 20 GAED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1O 1025711474 VMSLUPBMMKUYTF-KKOKHZNYSA-N 375.385 -1.532 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(CCC(=O)OC)C2=O)C1=O 1329403439 AZUZBPWMDSTQBF-JTQLQIEISA-N 381.341 -1.330 30 20 GAED C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCC#CCNC(=O)[C@H]1CN2CCN1C[C@H]2C 1346531192 MZXBUZHDPCKWNG-BRSBDYLESA-N 388.516 -2.001 30 20 GAED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)NCc1cnn[nH]1 1575053151 DIRQGTDLOQKIQR-DZKIICNBSA-N 380.449 -1.189 30 20 GAED C[C@@H](C#N)C(=O)N1CCN(CC(=O)NCc2cnn[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 1575177771 MHDZDUULZHKGID-WCFLWFBJSA-N 395.445 -2.110 30 20 GAED N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104515 KOESTMCENFLIGA-FUYSCZTQSA-N 396.448 -1.172 30 20 GAED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2ncnn2c1 1799085663 WZKJYWCVZXRLNV-HBCWATKFSA-N 397.391 -1.051 30 20 GAED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777348 QSIBLMGTNKABKP-NFFDBFGFSA-N 375.385 -1.408 30 20 GAED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n1 1800778170 DYHAOXGEEDFKIU-FVCICTRLSA-N 390.396 -1.179 30 20 GAED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837522271 DKSOKEKMAYTMSE-SJLPKXTDSA-N 383.445 -1.331 30 20 GAED C/N=C(/NC[C@H]1CN2CCN1CC2)N1CCN(CC(=O)N2CCCC2)CC1 262808763 UNKCFWPXEPADTH-KRWDZBQOSA-N 377.537 -1.198 30 20 GAED CCS(=O)(=O)NCCS(=O)(=O)N(CCC#N)CCN1CCOCC1 447204265 RFUWFKCFYRPLHU-UHFFFAOYSA-N 382.508 -1.197 30 20 GAED C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC)CC1 728590236 XYFDODWHFVRUCV-CQSZACIVSA-N 386.474 -1.374 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 967262491 OALOEKWLPBCIRR-KBXIAJHMSA-N 381.429 -1.486 30 20 GAED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1 990961206 VZFNDIVOZBDYFP-CLWVCHIJSA-N 393.407 -1.042 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1110040561 VACRCMNBGSTTCH-FHIRATQRSA-N 382.486 -1.071 30 20 GAED C=CCn1cc(CNC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)nn1 1118174584 KZCDCYHQNLRMHL-UHFFFAOYSA-N 384.462 -1.084 30 20 GAED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)CCO1 1118330376 MGDBWGLXUSKMIZ-DGCLKSJQSA-N 378.385 -1.339 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 1130009205 BPGFJDTUKKKJCW-BARDWOONSA-N 387.444 -1.729 30 20 GAED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783255944 NFDHAENBJYDZSZ-LPHOPBHVSA-N 397.472 -1.859 30 20 GAED COC(=O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557248 DMIHVALEDDMEKH-INIZCTEOSA-N 384.410 -1.190 30 20 GAED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793473753 KYKSGEHEXHCRPA-YWVIFJGQSA-N 379.413 -1.174 30 20 GAED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041072 OFKONBVXLFJILI-SFHVURJKSA-N 390.396 -1.264 30 20 GAED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 286473343 IUBDKSWPZQIWBI-UHFFFAOYSA-N 390.448 -1.890 30 20 GAED Cc1nc2n(n1)CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C2 349524700 NVTWXZCNRWMJKA-JTQLQIEISA-N 376.464 -1.047 30 20 GAED CN(CCC#N)S(=O)(=O)NCCN(CCO)S(=O)(=O)N(C)CCC#N 576173347 MVCPFPFHECGEBF-UHFFFAOYSA-N 396.495 -1.949 30 20 GAED C#CCNC(=O)CC(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1058352990 QDIAQXGHPXXTMK-GRDNDAEWSA-N 381.429 -1.886 30 20 GAED C#CCNC(=O)CN1CCN(CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 1329866863 KNQPQSWVARAHEF-OAHLLOKOSA-N 384.502 -1.611 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)O)CC[C@H]2C(=O)OC)C1=O 1602894449 CSOUVBCYHAGCSB-ZJUUUORDSA-N 381.341 -1.172 30 20 GAED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1791072735 ZTAJQNUFNZOCLC-AVGNSLFASA-N 379.369 -1.494 30 20 GAED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1795083575 POEMGBHUBPUXJS-WDAIWFPHSA-N 393.425 -1.045 30 20 GAED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835302038 ONTJIMVTNDKWSQ-CLCXKQKWSA-N 393.440 -1.240 30 20 GAED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781211 ISZFBGNFEHFAOK-CJNGLKHVSA-N 385.442 -1.066 30 20 GAED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 349489653 FPLNMPYJQRIWKW-VXGBXAGGSA-N 393.491 -1.411 30 20 GAED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C[C@H](C)O1 603908994 NJEUMMHIRBYOFE-STQMWFEESA-N 397.461 -1.352 30 20 GAED C#CCN=c1nc(N2C[C@H](CO)OC[C@@H]2C)[nH]c(N2C[C@H](CO)OC[C@@H]2C)n1 804557476 PZSPTEUZKVYXON-BYNSBNAKSA-N 392.460 -1.489 30 20 GAED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 892818129 IUDDSYORQXDUBD-LSDHHAIUSA-N 385.490 -1.356 30 20 GAED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(C)=O 1109849448 SFTQYOJHNWLQRI-QPSCCSFWSA-N 377.445 -1.773 30 20 GAED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CCO1 1776201998 NYBCJZXONOULGF-DGCLKSJQSA-N 376.435 -1.043 30 20 GAED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)cc1 1830400486 FGNYHNJXFKHZQD-SFHVURJKSA-N 375.381 -1.061 30 20 GAED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nn1C 1834120253 GNJWGRWLMKWPEK-GOSISDBHSA-N 390.396 -1.113 30 20 GAED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)C1=O 479006876 PWWPBKXSLCHIDR-PWSUYJOCSA-N 394.384 -1.211 30 20 GAED CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 568782183 IWRUTBLTYSFDDM-UHFFFAOYSA-N 393.468 -1.094 30 20 GAED N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nc1 916521272 XPWFCLPGMUHHPX-UHFFFAOYSA-N 384.404 -1.094 30 20 GAED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)Cn1cncn1 1111454924 DHKYTSFRUWNWKL-MCIONIFRSA-N 375.433 -1.582 30 20 GAED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1261177885 DKFFKQIMQSDIGB-VXGBXAGGSA-N 375.447 -1.545 30 20 GAED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)nn1CCC#N 1327095919 QGFVTSNSMDWMPV-UHFFFAOYSA-N 397.461 -1.006 30 20 GAED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)C2)nc1 349536309 KRFLDPSJEGPEHQ-UHFFFAOYSA-N 387.443 -1.153 30 20 GAED C=C(CNS(=O)(=O)N1CCOCC1)CNS(=O)(=O)N1CCOCC1 660127508 AUXVZTFCJIEKGE-UHFFFAOYSA-N 384.480 -2.124 30 20 GAED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 1025095129 OWBYXPLURKFKRU-LPWJVIDDSA-N 380.401 -1.793 30 20 GAED C#CCNC(=O)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1131369832 ZQJSICXUCZVYKW-LCEIHVTHSA-N 388.468 -1.190 30 20 GAED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1322967472 UPMLLFAGPSPISQ-UHFFFAOYSA-N 375.447 -1.737 30 20 GAED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)n1 1328228392 MXWTYZRUXRAHFS-ZIAGYGMSSA-N 382.442 -1.207 30 20 GAED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 1349760340 KMLCSDZIXJHEQH-CVEARBPZSA-N 398.529 -1.223 30 20 GAED N#CCNC(=O)CN1CCC(CO)(NC(=O)CCOCc2cnn[nH]2)CC1 1577706572 LPPZVAXGNLPCPE-UHFFFAOYSA-N 379.421 -1.706 30 20 GAED O=C1NC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)O1 1831209557 WTNLNEXMQCZEOF-KSSFIOAISA-N 377.397 -1.035 30 20 GAED NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H]3CCN(O)C3=O)CC2=O)c1 820178774 ATJASXVJZWAGCN-JOYOIKCWSA-N 382.398 -1.207 30 20 GAED CCOC(=O)CON=C(C(=O)N1CCO[C@@H](CNC(=O)NC)C1)c1cc[nH]n1 862637636 NQDBGBMAYPXTID-NSHDSACASA-N 396.404 -1.150 30 20 GAED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)CC1 1795408079 MYAYXROKWAGAPT-NOHGZBONSA-N 375.385 -1.522 30 20 GAED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797800666 HONMTCQPZJQEJM-NAHJCDBISA-N 397.472 -1.182 30 20 GAED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777340 QSIBLMGTNKABKP-JFILPPLUSA-N 375.385 -1.408 30 20 GAED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617465 LBNVTJNNIRIILY-YWVKMMECSA-N 378.410 -1.134 30 20 GAED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1835519309 UFSFYENBUSGXGA-NEPGBVGISA-N 394.472 -1.104 30 20 GAED NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835557572 MJMQEZBMSBYMHO-HNAYVOBHSA-N 392.456 -1.551 30 20 GAED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838097747 AUEWSANOMVVSIX-SFHVURJKSA-N 388.380 -1.057 30 20 GAED CCS(=O)(=O)NCCN/C(=N/C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261695061 FNOXWSDLPWERHO-HNNXBMFYSA-N 388.494 -1.189 30 20 GAED C=CCOC[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OC 481773774 BLWCLXVHRPHIAW-LLVKDONJSA-N 393.400 -1.316 30 20 GAED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 537446287 RUVZDDUNXBQRQK-UHFFFAOYSA-N 398.441 -1.032 30 20 GAED C#Cc1cccc(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 817770570 DUDJRCCXIJNXII-UHFFFAOYSA-N 392.481 -1.023 30 20 GAED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564214 HYXLIFJYJOXTDA-CJNGLKHVSA-N 383.357 -2.031 30 20 GAED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076598 AQMUJXOBTLTFLL-AJNGGQMLSA-N 395.412 -1.795 30 20 GAED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cncn1 1840044213 PZXBASBCMPZNHS-SUMWQHHRSA-N 391.384 -1.617 30 20 GAED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)N3CCO[C@@H](C#N)C3)cn2)CC1 410160893 VKGKJCMCQLQLPZ-AWEZNQCLSA-N 397.461 -1.462 30 20 GAED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)CCN1CCOCC1 771813956 DTFNQGBQJZIUBP-UHFFFAOYSA-N 396.469 -1.122 30 20 GAED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CCOCC1 1111164196 NUBZJRZWLLCVFL-KFWWJZLASA-N 377.445 -1.110 30 20 GAED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 1130009277 GNYAELXGYNWFGY-BARDWOONSA-N 387.444 -1.907 30 20 GAED CC(C)CN1CCO[C@H](CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)C1 1589633290 VJEUFBUWZRVJLC-LLVKDONJSA-N 388.436 -1.010 30 20 GAED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1835355258 ZZPMYHCAOMOAQN-YVEFUNNKSA-N 393.400 -1.655 30 20 GAED CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1835400844 JCCLSNSAPOUHNP-LJQANCHMSA-N 393.488 -1.006 30 20 GAED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836150601 VAPCNKQTEUMOEL-QGZVFWFLSA-N 376.417 -1.067 30 20 GAED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)COCCO)CC2)CC1 1836410710 DGDRCPUZFKZRFQ-UHFFFAOYSA-N 381.429 -1.345 30 20 GAED