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C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 1665749558 BWFILLGYCRDYAD-ZDUSSCGKSA-N 377.492 -1.202 30 10 GAEE C#CCNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1686312442 SEFMXFXDIHKHOY-PJHJGJPPSA-N 390.440 -1.344 30 10 GAEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760523296 SNMDFEYXZUNHNQ-CYBMUJFWSA-N 388.432 -1.068 30 10 GAEE COC[C@](C)(CO)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868576 PFPBMUPBLAFYRQ-AWEZNQCLSA-N 390.271 -1.210 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2CC(O)(CO)C2)n1 2284538012 NMIGCWIFQWJONP-UHFFFAOYSA-N 387.267 -1.117 30 10 GAEE C#CCN(C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCS(=O)(=O)C1 1261555387 CSJMXKHJEQDYLE-CHWSQXEVSA-N 383.426 -1.265 30 10 GAEE CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1261923006 LOMUBSWNPKXZNM-TZMCWYRMSA-N 383.474 -1.275 30 10 GAEE C#CC[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1331529402 UKTPLTRHHJONDG-CQSZACIVSA-N 388.490 -1.128 30 10 GAEE COC(=O)C1(C#N)CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 1661954812 APUFYZHZPSYQQH-UHFFFAOYSA-N 394.475 -1.413 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(O)CS(=O)(=O)C1 2283074752 YPGKBCFHKIWXEL-UHFFFAOYSA-N 386.239 -1.996 30 10 GAEE CCN1C(=O)/C(=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)c2ccccc21 245020849 MKDWSUUPJKORDH-NDOBWRGRSA-N 393.396 -1.283 30 10 GAEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 1281625887 YJGBZEDPQYQAME-DGAVXFQQSA-N 386.474 -1.309 30 10 GAEE CS(=O)(=O)NC1CC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1478502850 MZBTVIYNDOBWPG-YUVKLTJASA-N 376.460 -1.354 30 10 GAEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC(=O)N2CCOCC2)n1 1323367369 XSZIADRGKQCNBX-UHFFFAOYSA-N 391.428 -1.534 30 10 GAEE C#CCN(C(=O)C(=O)N1CCO[C@@H](CNC(=O)NC)C1)C1CCN(C)CC1 1335164508 URHWNABPJCEKHH-HNNXBMFYSA-N 379.461 -1.301 30 10 GAEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2CNC[C@H]2S(C)(=O)=O)OC1(C)C 2281923552 HPYBOBSYYURQKS-WDEREUQCSA-N 384.267 -1.176 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCOCCCN 2282307330 AFUDAXDJFRLLHX-UHFFFAOYSA-N 389.287 -1.242 30 10 GAEE C#CCNC(=O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282331609 PONKYCVBIXAUIC-UHFFFAOYSA-N 382.251 -1.253 30 10 GAEE CN(c1nnnn1C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868136 JITIJNMJEKIYGU-UHFFFAOYSA-N 384.231 -1.537 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H](O)CC(=O)O)n1 2284407015 GITVGNYHMWBQFD-VIFPVBQESA-N 389.239 -1.167 30 10 GAEE CN(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)S(C)(=O)=O 2339713030 CKZHJCCHIYYGME-UHFFFAOYSA-N 394.284 -1.196 30 10 GAEE C=C1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)[C@H]1C(=O)N1CCN(CCO)[C@H](C)C1 907543815 LLKGMZGHJBLEPL-LMSBXDPUSA-N 394.516 -1.161 30 10 GAEE N#Cc1cn(C2CN(C(=O)C(=O)N3CCC4(C3)OCCO4)C2)c(=O)nc1O 1329874676 YPOYQHKCJQVMDG-UHFFFAOYSA-N 375.341 -1.821 30 10 GAEE C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1719852575 LPEQCRQBISTONT-RFGFWPKPSA-N 381.454 -1.049 30 10 GAEE 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10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@](C)(O)CO 2267722405 WISYBKFNWDMFOR-CYBMUJFWSA-N 376.244 -1.864 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](N)C[C@@H](O)C1 2282314832 FZTNAULVSCAHTG-VHSXEESVSA-N 387.271 -1.803 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCNC[C@H]2CO)n1 2282845607 WMJKRFYNZUPLIP-NSHDSACASA-N 386.283 -1.326 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 410450271 OOXSUSUZLGIDLS-LSDHHAIUSA-N 391.472 -1.298 30 10 GAEE CC(=O)N[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](CO)O[C@@H]1S 616413729 LRWPXIBSSABLDO-JYDWPDHZSA-N 399.418 -4.316 30 10 GAEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1C 1748791647 YWPBSEAYYLPXSM-GFCCVEGCSA-N 394.461 -1.143 30 10 GAEE Cn1cc(S(=O)(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c(=O)n(C)c1=O 2198135516 WUVDTQGMYKXLEO-UHFFFAOYSA-N 383.235 -1.003 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC[C@H](O)C1 2282328831 DEKKHQOFDYZQOO-NSHDSACASA-N 386.283 -1.326 30 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C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1=O 1340109462 HIHIWMQXILSMJT-DYZYQPBXSA-N 391.384 -1.200 30 10 GAEE N#Cc1cn(C2CN(C(=O)CCC(=O)N3CCC(O)CC3)C2)c(=O)nc1O 1648790270 CLSURHUKAOYMCX-UHFFFAOYSA-N 375.385 -1.033 30 10 GAEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](N)C[C@@H](O)C1 2282331437 NJLRIILRGPIFSG-WDEREUQCSA-N 386.283 -1.198 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2CN)n1 2282492502 PCHUUQNFOKWENN-GHMZBOCLSA-N 386.283 -1.198 30 10 GAEE CC1(C)OB(c2scnc2C(=O)N2CCNC(=O)[C@H]2C(N)=O)OC1(C)C 2282514073 YMLLWKMLGNIVIL-SECBINFHSA-N 380.235 -1.132 30 10 GAEE C[C@H]1CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@@]1(C)CO 1261805344 GNTIDVAAYRMZJR-BTDLBPIBSA-N 375.385 -1.319 30 10 GAEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)N(C)C 2282322741 QGYOUGKWJRTKEA-SECBINFHSA-N 387.271 -1.131 30 10 GAEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 463340758 RYHDGOGQRHLBBY-UHFFFAOYSA-N 378.476 -1.185 30 10 GAEE Cn1cc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cn1 530271511 IUDJQLCEKYBIPK-JTQLQIEISA-N 383.368 -1.010 30 10 GAEE C=C[C@@](C)(CO)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O 535385346 LOAQFXHGDMJPJC-YHAQOWFVSA-N 391.446 -1.466 30 10 GAEE in-vitro C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 1588198831 AHYPCZXZTGVKMF-UHFFFAOYSA-N 382.446 -1.145 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 1644285382 NZOFRLGIDQYMDO-UHFFFAOYSA-N 375.472 -1.577 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)CC(=O)O 2284392791 BLIBWPHONNDDEC-VIFPVBQESA-N 389.239 -1.167 30 10 GAEE C=C1CC[C@]2(O)[C@]3(C)C[C@]4(O)O[C@@]2([C@@H]1O)[C@]1(O)[C@@]3(O)[C@H](O)[C@](O)(C(C)C)[C@]41C 6036045 VMZSULUKHWFTRZ-KPUDSNMQSA-N 398.452 -1.460 30 10 GAEE COC(=O)[C@H]1CCCN(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O 1626656348 VVKHOBOOQUEFGE-MKBNYLNASA-N 383.426 -1.205 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(O)CSC1 2267763958 QWUFLQYQNRZUBU-UHFFFAOYSA-N 390.296 -1.130 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(C)CC(=O)N1 2282319001 NMGNPYOESHJCRU-AWEZNQCLSA-N 385.255 -1.329 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(O)CNC1 2282852989 XESQSZWRSCQPKP-UHFFFAOYSA-N 386.283 -1.278 30 10 GAEE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282868793 SMSDTDPFOSLSHW-SECBINFHSA-N 385.255 -1.377 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 459890936 YMHAMIJNYBGFFA-UHFFFAOYSA-N 395.504 -1.652 30 10 GAEE CS(=O)(=O)N1CCN(CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1323404238 GKNILIDXOMITJX-FOCLMDBBSA-N 399.473 -1.404 30 10 GAEE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267342664 IDWMVJMODHXQER-IUCAKERBSA-N 376.244 -1.866 30 10 GAEE Cc1nc(S(=O)(=O)NC2(CO)CNC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282866801 PFSCTGROVVUGKL-UHFFFAOYSA-N 386.283 -1.360 30 10 GAEE C=C[C@H](O)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255240638 MYHSVHWQEVDFQT-ILPXZUKPSA-N 389.404 -2.411 30 10 GAEE in-vitro Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@H](O)[C@H](O)C1 2282331322 MFDSEROKJDLYHG-NWDGAFQWSA-N 387.267 -1.165 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)n1 2282498065 YKUDTMWZOCLLKR-NEPJUHHUSA-N 387.267 -1.165 30 10 GAEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC1 872515571 QQDYURGMJIBWMY-CYBMUJFWSA-N 380.492 -2.268 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nnn3cc(C)nc(O)c23)CC1 1643372560 QURJGAJHRPPUCF-UHFFFAOYSA-N 379.402 -1.636 30 10 GAEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)NC(=O)N1 1736478317 JZJAXOYMQABCFA-RHYQMDGZSA-N 375.385 -2.028 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 459884403 KUCZVUJNMKYSPH-DNVCBOLYSA-N 394.472 -1.161 30 10 GAEE C#C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 1332962783 HVKGVHOLLVTKSZ-AWEZNQCLSA-N 388.424 -1.322 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCC)CC1 502288731 BLWOICZEQGYKIX-GJZGRUSLSA-N 382.461 -1.257 30 10 GAEE C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2OC)nn1 941956582 KEWADJYNNOGKRF-GFQSEFKGSA-N 376.417 -1.069 30 10 GAEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1327296261 YQNVQGWAPWRRHM-JKSUJKDBSA-N 394.472 -1.468 30 10 GAEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 1328783244 KAWVUSVANXLTEP-UHFFFAOYSA-N 393.444 -1.476 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 1558073133 MJVDCTZWSYZPDR-UHFFFAOYSA-N 378.414 -1.892 30 10 GAEE CO[C@H](CO)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2277916694 HRFGMQOQFQEXGT-VIFPVBQESA-N 376.244 -1.600 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)CC1 831575086 WTGYOSACKGTHNT-LNDKPYMUSA-N 375.450 -1.075 30 10 GAEE COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCN(c3nccnn3)CC2)CC1 1118832828 FNZXKFRNCMSMQF-UHFFFAOYSA-N 387.400 -1.174 30 10 GAEE C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 1289693281 QMKVUOIRXXZBHP-JJXSEGSLSA-N 377.441 -1.124 30 10 GAEE N#C[C@@]12CN(CC(=O)N3CCN(c4cnccn4)CC3)C[C@H]1CS(=O)(=O)C2 1460834184 OOBHVZFCHNTBAO-YOEHRIQHSA-N 390.469 -1.005 30 10 GAEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1O 1702392322 RSPDSRYLJJOCDV-MQYQWHSLSA-N 389.474 -1.453 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1COCCO1 2282835089 ZZZWYZXADFOEME-JTQLQIEISA-N 388.255 -1.192 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC(N)(CO)CO)n1 2286178076 JJLPLIIBIXOBNW-UHFFFAOYSA-N 390.271 -2.320 30 10 GAEE C=CCOCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 658448455 GYAOCZSOTWTCCZ-UHFFFAOYSA-N 382.461 -1.302 30 10 GAEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC2(OC)CCOCC2)CC1 1464367016 FYALVYKNGXDGAM-UHFFFAOYSA-N 395.503 -1.403 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H](F)C1CNC1 2282314784 FGOKNVNDGDWOHS-SNVBAGLBSA-N 389.262 -1.050 30 10 GAEE Cc1nc(S(=O)(=O)N[C@H]2CONC2=O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282885235 ZJNULXJQXNIAMR-VIFPVBQESA-N 386.239 -1.264 30 10 GAEE CC(=O)N(O)CCCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O 85599969 HPOPJZNNZCIWFX-XPTSAGLGSA-N 378.334 -1.356 30 10 GAEE in-vitro C#CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1CCS(=O)(=O)C1 729331935 IMWIYCDOUSHETI-NSHDSACASA-N 390.421 -1.105 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 1175522848 NUBKMGWHMJYKMV-CYBMUJFWSA-N 378.476 -1.930 30 10 GAEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 1256059809 OVMFWIMCHICHGQ-UHFFFAOYSA-N 393.226 -1.082 30 10 GAEE N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 1261484173 RJWQFYQAXAUPNP-SFHVURJKSA-N 393.444 -2.134 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCC(N)=O)CC1 1636475438 IKHFPYJCZWLGBQ-UHFFFAOYSA-N 380.426 -1.224 30 10 GAEE CCOC[C@@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282301187 CWIWUCRAHNIWMM-JTQLQIEISA-N 390.271 -1.210 30 10 GAEE CC=CC#CC#C[C@H](O)[C@@H](C=CCCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 2293871650 MMMUDYVKKPDZHS-BDBHOTGSSA-N 396.436 -1.556 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CN2CCCC2=O)CC1 560642345 IQBVWTSGJXVUSI-CQSZACIVSA-N 379.461 -1.440 30 10 GAEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 1335392756 OVPCYAHNCZKTOO-YUELXQCFSA-N 376.413 -1.369 30 10 GAEE CC=CC#CC#C[C@@H](O)[C@@H](C=CCCCO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 1903865504 MMMUDYVKKPDZHS-VMJIZDNZSA-N 396.436 -1.556 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](O)CO 2267370103 GYDGVJHOVVUUHU-SNVBAGLBSA-N 375.256 -1.259 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCS(=O)(=O)N2)n1 2282052901 DMXIBIDYZYWZQU-SECBINFHSA-N 385.255 -1.464 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCn1cnnn1 2282837113 SAXQLZFQAZVMII-UHFFFAOYSA-N 384.231 -1.921 30 10 GAEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H](CS(C)(=O)=O)C(=O)O)OC1(C)C 2360576554 QIVAHRGQNLRAHK-SECBINFHSA-N 387.223 -1.064 30 10 GAEE COCCN(C(=O)CN1CCN(C(=O)CC#N)CC1)[C@H]1CCS(=O)(=O)C1 575427703 YVNQDXMKDMVPED-AWEZNQCLSA-N 386.474 -1.294 30 10 GAEE 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392.437 -1.066 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@](C)(O)CO)n1 2267473604 IFVJLKAZBQGGAN-CQSZACIVSA-N 375.256 -1.259 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCOC[C@H](O)C1 2282312925 CZYXALRALSYXGO-SNVBAGLBSA-N 388.255 -1.504 30 10 GAEE C#CCNC(=O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282496896 JBJCKVGHMOXZHA-UHFFFAOYSA-N 382.251 -1.253 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CNC[C@@H]1O 2282869262 ZSQAEDLRJBVKBY-ZJUUUORDSA-N 387.271 -2.027 30 10 GAEE COC1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@]2(C#N)CCOC2)C1 349495900 GGFLGOLJFHQPSP-CYBMUJFWSA-N 381.476 -1.019 30 10 GAEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 509409656 GWCMXQCPMDULOG-CYBMUJFWSA-N 395.507 -1.340 30 10 GAEE C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 1117606351 RMENBRWVWKHLAF-CABCVRRESA-N 391.428 -1.360 30 10 GAEE C#CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CO2)C1 1570243831 FYOVSVVYNAEIQD-QBYUYEEZSA-N 377.441 -1.253 30 10 GAEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 1705901845 XXCPTFXPGVLNRO-NSHDSACASA-N 382.446 -1.234 30 10 GAEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)C1=O 1333415325 CJXWRAVMCVKGFV-CHWSQXEVSA-N 386.474 -1.276 30 10 GAEE C#CCN(C(=O)C(=O)NC[C@H]1CNCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 1353336581 SGRCLUFUPIHNTM-VXGBXAGGSA-N 377.413 -1.004 30 10 GAEE Cn1cc(C(=O)NCC2(O)CS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2283095723 RPSVGZSSLHHUTB-UHFFFAOYSA-N 385.251 -1.391 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCCN(CCC)C(=O)C2)CC1 410939962 XSWMTQLWEZSBTN-UHFFFAOYSA-N 393.488 -1.096 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC1 604174164 BFUVRXYBCRWEQK-UHFFFAOYSA-N 375.495 -1.103 30 10 GAEE C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC(=O)N(C)CC1 852901363 GQDYHKGMAPZWTE-UHFFFAOYSA-N 390.487 -1.341 30 10 GAEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)C1=O 1135001159 RYUUVVLZPJISLU-UHFFFAOYSA-N 399.425 -1.231 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCNS(C)(=O)=O)n1 2281952046 QZOWPJOZYJFHDQ-UHFFFAOYSA-N 387.271 -1.217 30 10 GAEE C[C@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)n1cnc(C#N)n1 409566044 SLNPMUAWWYABRD-GFCCVEGCSA-N 383.434 -1.568 30 10 GAEE N#Cc1cccc([C@H]2CN(C(=O)C(=O)N3CCN(CC(N)=O)C(=O)C3)CCO2)c1 1325096379 PCYIZOIGYPKRST-OAHLLOKOSA-N 399.407 -1.386 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC[C@@H]1C(N)=O 2282327886 PGNDBYXJFVHVHU-SECBINFHSA-N 385.255 -1.247 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC[C@@H](O)C1 2282328830 DEKKHQOFDYZQOO-LLVKDONJSA-N 386.283 -1.326 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(O)CC(N)C1 2282859883 RQLAYXCUFIOKCH-UHFFFAOYSA-N 386.283 -1.150 30 10 GAEE C#CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 759551865 SIOHWXMLEFXROF-GFCCVEGCSA-N 380.492 -1.349 30 10 GAEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)CC2)c1C#N 1261522568 YFPZQAWTOAALKC-BBFKWACYSA-N 390.469 -1.019 30 10 GAEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1348432219 BUQYCOVJTALHNE-CYBMUJFWSA-N 383.412 -1.128 30 10 GAEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CN3CCN2CC3)C(=O)C12CCCC2 1854432206 RZKQNWDMRFYOOW-AWEZNQCLSA-N 395.485 -1.177 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[S@@](C)=O 2255745359 NTLNMWNJWWSCEB-HSZRJFAPSA-N 378.285 -1.229 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@](C)(O)CO 2267372807 UGPYWMGQDWMLSU-CQSZACIVSA-N 375.256 -1.259 30 10 GAEE CONCCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2267417200 WGFOUNJJGLSJFT-UHFFFAOYSA-N 375.260 -1.066 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC2([C@H](O)CO)CC2)n1 2282831804 FAKKTEIBNRUWOD-LLVKDONJSA-N 387.267 -1.117 30 10 GAEE C#CCN=c1nc(N2C[C@H]3COC[C@@H](C2)O3)[nH]c(N2C[C@H]3COC[C@@H](C2)O3)n1 804695392 KUHDFLWHMLGXAT-NMWPEEMBSA-N 388.428 -1.453 30 10 GAEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)C1=O 1332371557 GHYLQDQEMOWKTB-GUYCJALGSA-N 399.469 -1.352 30 10 GAEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C 1513311519 UQJIPTJSWLAZLS-NGFQHRJXSA-N 380.445 -1.207 30 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C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1595697685 CJUVUBYSDIIKJT-DGCLKSJQSA-N 392.437 -1.066 30 10 GAEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)NC 1705604922 WLWMDMBYIGRQNI-NSHDSACASA-N 392.507 -1.103 30 10 GAEE Cn1ncc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282051294 GZOQBOGSATWVJD-QWRGUYRKSA-N 385.251 -1.393 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 1175515102 RPMIUGIDSUWIMD-UHFFFAOYSA-N 379.398 -1.362 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)CC1 1636724355 APXQCOABYSSHBE-OLZOCXBDSA-N 392.503 -1.253 30 10 GAEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)C1=O 1643237347 PRTWGLWSYNZHIZ-NSHDSACASA-N 378.385 -1.547 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC[C@@](O)(CO)C1 2282291099 DGVUQBGIKQIRPM-AWEZNQCLSA-N 388.255 -1.768 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](C(N)=O)C1CC1 2282305741 CPOKKZBBVZEPJZ-SECBINFHSA-N 385.255 -1.344 30 10 GAEE 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C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)CC1 1644285675 WIKCJXKLEBEZOU-GFCCVEGCSA-N 380.492 -1.828 30 10 GAEE CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 2080411334 FGYNENQLWILFLQ-UKHLCMSISA-N 383.350 -5.411 30 10 GAEE Cn1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)nc1B1OC(C)(C)C(C)(C)O1 2282043997 QOHHIWRFTXXKEL-GHMZBOCLSA-N 385.251 -1.393 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CC1 459882635 GPSWBMLZKGTVHK-INIZCTEOSA-N 375.473 -1.095 30 10 GAEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCN(C)C)C(=O)C2)c1=O 844713675 DADKDDVGJHEUQQ-UHFFFAOYSA-N 392.460 -1.793 30 10 GAEE CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1348210066 HWOTYRUSOIXRRQ-UHFFFAOYSA-N 388.384 -1.715 30 10 GAEE CN(C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1)S(C)(=O)=O 1623817314 BXJVUEOJXPMQKY-NSHDSACASA-N 383.430 -1.049 30 10 GAEE C[C@H](O)[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284403373 PHIARPOGSBNRML-WPRPVWTQSA-N 389.239 -1.168 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCNC(=O)c2cccnc2)CC1 1220620044 WMVHXBLKVFJAJR-UHFFFAOYSA-N 394.457 -1.394 30 10 GAEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H](O)CO 2267710158 OPPWKIYYKWHGHJ-MWLCHTKSSA-N 375.256 -1.261 30 10 GAEE C#CC[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)O 2284406417 YBXIOVWPLXJNQJ-VIFPVBQESA-N 384.223 -1.131 30 10 GAEE CS(=O)(=O)OC[C@@H]1O[C@@H]2[C@@H](Oc3nc(=O)ccn32)[C@H]1OS(C)(=O)=O 253387680 MBTDUPPIBFRXOI-MIBSWOBISA-N 382.372 -1.777 30 10 GAEE biogenic Nc1ncnc2c1nc(NN=Cc1cccnc1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O 254705037 YAVGDTPEUHQIRH-OXUWNYNTSA-N 386.372 -1.139 30 10 GAEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286786690 XALSEDGWLQNCQY-NWDGAFQWSA-N 391.432 -1.517 30 10 GAEE C#C[C@H](NC(=O)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1)[C@@H]1CCCO1 1349367165 DSSARLMDFSTBAI-YZVOILCLSA-N 393.440 -1.240 30 10 GAEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 1329894476 URSHYIHPGXFAPN-OAHLLOKOSA-N 380.445 -1.013 30 10 GAEE CNCCOCCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1335277177 JZFMWEOWJBEYOW-ZDUSSCGKSA-N 375.433 -1.262 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC(N)(C(N)=O)C2)n1 2282497077 LGIGACQPPDJSQA-UHFFFAOYSA-N 385.255 -2.094 30 10 GAEE C#CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1CCS(=O)(=O)C1 729331926 IMWIYCDOUSHETI-LLVKDONJSA-N 390.421 -1.105 30 10 GAEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)CN1CCOCC1 816507020 TWWMYCKUCQAEHW-ZDUSSCGKSA-N 396.469 -1.076 30 10 GAEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)Cn2cncn2)C[C@H]1C 1281805508 LHORSIZKRLEFJA-TUVASFSCSA-N 390.444 -1.052 30 10 GAEE CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1330376933 GRZXHPLHXUSNPW-OAHLLOKOSA-N 376.461 -1.488 30 10 GAEE C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 1348157431 WTWWDIGCWBFOJM-CYBMUJFWSA-N 377.405 -1.853 30 10 GAEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)CC1 1539444847 WAXQPTIFVVMMDI-UHFFFAOYSA-N 392.489 -1.017 30 10 GAEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H](CCO)C(=O)O 2284402531 JVKOISWSHBBMID-JTQLQIEISA-N 389.239 -1.167 30 10 GAEE Nc1nc(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1C#CCNC(=O)C(F)(F)F 143106278 OKLUSVKQOCPUNW-BBBLOLIVSA-N 376.291 -1.504 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@](C)(CO)C(=O)O 2284416128 UNPNOGZXCCTMOX-AWEZNQCLSA-N 389.239 -1.167 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 1312212963 TWSGHQADRFIQSO-MCIONIFRSA-N 383.474 -1.210 30 10 GAEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN2CCOC[C@H]2C1 1326598394 YNMOOLUZNLGHIR-DKASORFFSA-N 377.401 -1.828 30 10 GAEE COC[C@]1(C)CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCO1 1348210172 KVFHYNOTTHVYCJ-KRWDZBQOSA-N 391.384 -1.532 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 1686220259 ISQKXZGVBRGCQC-UHFFFAOYSA-N 393.491 -2.327 30 10 GAEE COC(=O)[C@@H](O)CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282846680 MXFAQHIZQIBMMD-JTQLQIEISA-N 389.239 -1.469 30 10 GAEE C=C(CS(=O)(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2334398826 LIRJKXKPSRGNMN-GMTAPVOTSA-N 377.224 -1.006 30 10 GAEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CCOCC2)CC1 501809490 JONJXVNXLSETNO-CYBMUJFWSA-N 389.478 -1.419 30 10 GAEE CS(=O)(=O)N1CCN(CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1323404242 GKNILIDXOMITJX-NXVVXOECSA-N 399.473 -1.404 30 10 GAEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H]4C(=O)OC[C@H]4C3)CC2)c1C#N 1328892877 OYCOKCPXAHWTBE-TZMCWYRMSA-N 386.412 -1.120 30 10 GAEE C[C@H](O)[C@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2267712555 GACAMZBLYWYZQE-GXSJLCMTSA-N 375.256 -1.261 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H](O)C[C@H]1O 2282855438 DQWMCKIIHCAFEG-GMTAPVOTSA-N 387.267 -1.118 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1[C@H]2CNC[C@H]12 2282868810 SQVNDRWAKKJOBF-UWVGGRQHSA-N 383.283 -1.142 30 10 GAEE CCn1c(NN=C2C(=O)N(C)C(=O)N(C)C2=O)nc2c1c(O)nc(=O)n2C 606630021 IQLUSHPBSNSCIZ-UHFFFAOYSA-N 376.333 -1.326 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 2282183498 HRCJFCHEHOQNGL-SECBINFHSA-N 385.255 -1.383 30 10 GAEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)OC1(C)C 2282697905 XDMQVJQRHRHEPN-MNOVXSKESA-N 383.235 -1.337 30 10 GAEE N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 349471147 UAQTXMCXCPQCCP-HJTOQOCKSA-N 381.501 -1.113 30 10 GAEE N#Cc1cn(C2CN(C(=O)Cn3nc4n(c3=O)CCCCC4)C2)c(=O)nc1O 1261842748 ITARFCBBTHWBHW-UHFFFAOYSA-N 385.384 -1.011 30 10 GAEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=NCCOCCO)[nH]1 1871473037 NVBXSWYIBGZUKK-UHFFFAOYSA-N 382.465 -1.265 30 10 GAEE N#C[C@@H]1CCN(S(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)C1 2174784768 ROUJYIFETZLGFS-IVZWLZJFSA-N 397.379 -1.069 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](N)C[C@H](O)C1 2282337348 KSOZHMZJAZANFV-QWRGUYRKSA-N 386.283 -1.198 30 10 GAEE CN(C)C[C@@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282342795 MJRVWJUFWKLCHV-NSHDSACASA-N 388.299 -1.080 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 1302921548 JPFNTVXRKLEJRU-UHFFFAOYSA-N 383.434 -2.408 30 10 GAEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCSC[C@@H]1CCO 1322695733 TWGRJVSITSYDOK-JKJHPVACSA-N 382.442 -1.045 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)CC1 1636724356 APXQCOABYSSHBE-QWHCGFSZSA-N 392.503 -1.253 30 10 GAEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nncn1C 1748791648 YWPBSEAYYLPXSM-LBPRGKRZSA-N 394.461 -1.143 30 10 GAEE CN(C)C[C@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282342794 MJRVWJUFWKLCHV-LLVKDONJSA-N 388.299 -1.080 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC(CO)CO 2282348451 LNVGHMTUSUDJDL-UHFFFAOYSA-N 389.283 -1.012 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CNC[C@H]1O 2282869259 ZSQAEDLRJBVKBY-NXEZZACHSA-N 387.271 -2.027 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(C(=O)OC)C2)CC1 804014169 REKGHNRZKDEDIX-AWEZNQCLSA-N 395.460 -1.220 30 10 GAEE C#CCNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1506109051 OSHQSEKQUBLHQI-FXUDXRNXSA-N 379.457 -1.271 30 10 GAEE C/C=C/C#CC#CC[C@@H](O)[C@@H](/C=C/CCO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 1616186138 WAKRBLURQDBFHL-NDINETNQSA-N 396.436 -1.556 30 10 GAEE C=CCOc1ccccc1OCC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO 1866316680 SFOOFHWJEAIPFV-GGNLRSJOSA-N 385.413 -1.476 30 10 GAEE C#CC(CO)(CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2290343720 NHOFXXNXEIRCTK-UHFFFAOYSA-N 385.251 -1.646 30 10 GAEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc1 458045794 NMYNTIHFPMZLQU-UHFFFAOYSA-N 380.426 -1.079 30 10 GAEE CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)CC1 574584160 CVUSRFXOWKLKFS-UHFFFAOYSA-N 379.464 -2.134 30 10 GAEE CC1(C)CN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC[C@@H]1O 1329306807 SYDKCITXGTWSOS-LBPRGKRZSA-N 375.385 -1.177 30 10 GAEE C[C@@]1(CO)CCCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1331446347 FBUIAPQWUSXADC-QGZVFWFLSA-N 375.385 -1.175 30 10 GAEE 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C#CCN(C(=O)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)C1CCN(C)CC1 1120500145 LNCPBLFAHMQWFI-AWEZNQCLSA-N 383.474 -2.097 30 10 GAEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1663864192 PTSXLONMZFNECN-GFCCVEGCSA-N 377.448 -2.459 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)CC1 551807821 ABPLVTSQKUXWMM-UHFFFAOYSA-N 389.460 -1.323 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 1471451050 MTAITTNQPYLYNJ-UHFFFAOYSA-N 390.425 -1.597 30 10 GAEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc3[nH]cncc2-3)CC1 1656642471 UHOMFUHCSBWIPL-UHFFFAOYSA-N 384.443 -1.317 30 10 GAEE CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(O)C1 349454879 BNRHQEIWCHMHGW-ZDUSSCGKSA-N 381.476 -1.283 30 10 GAEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358977419 MBWQCKJMOLWDAR-DYVFJYSZSA-N 391.453 -1.148 30 10 GAEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)CCO1 1521128460 CWTRSWUXPDXJRV-STQMWFEESA-N 389.416 -1.183 30 10 GAEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1574595613 JRTSQCANDMWGNV-PEBLQZBPSA-N 376.413 -1.593 30 10 GAEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@H]1OC 1719229680 ATVGZMDNFFXATD-JLNYLFASSA-N 389.474 -1.141 30 10 GAEE CC(=O)N[C@@H]1[C@H](S)O[C@@H](CO)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2037829475 LRWPXIBSSABLDO-MDZPYNNWSA-N 399.418 -4.316 30 10 GAEE C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)O[C@@H](OC)C[C@@H]21 2085667711 RAYZRCGMIDUTKS-IUUHGXQISA-N 388.369 -1.619 30 10 GAEE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282340705 IZZHGNDICDDOOF-RYUDHWBXSA-N 386.283 -1.016 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1C[C@@H](O)C[C@H](O)C1 2282413753 IYVUUHPDGCGXII-UWVGGRQHSA-N 388.255 -1.770 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC(CN)(CO)CO 2282869118 XSVGOHNEWMWKEP-UHFFFAOYSA-N 391.259 -2.925 30 10 GAEE C#CCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O 242574931 NKSPHILIVROOQP-DRRXZNNHSA-N 391.417 -2.370 30 10 GAEE C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 425909242 NGIPLLNUPUQKDL-JSGCOSHPSA-N 378.429 -1.357 30 10 GAEE C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1335057543 DMSOCJZPAPXHNO-QWRGUYRKSA-N 375.385 -1.177 30 10 GAEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 1341491404 CWQRJOQDCXENJI-CFAJVAMVSA-N 383.445 -1.240 30 10 GAEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1O 1702355176 APJZREVLCBKRGI-XFMPKHEZSA-N 389.474 -1.405 30 10 GAEE C#CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CCS(=O)(=O)C1 918756698 WZCNJGSBYILESV-GFCCVEGCSA-N 390.421 -1.105 30 10 GAEE C#CCN(C(=O)C(=O)NC[C@H]1CCCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 1117592465 SJSGMFNBHIWAHE-QWHCGFSZSA-N 390.483 -1.281 30 10 GAEE C/N=C(/NC[C@H](O)C(F)(F)F)N1CCN(CC(=O)N2CCOCC2)CC1 262290693 XMLZYJNJDUAWFL-LBPRGKRZSA-N 381.399 -1.039 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CCN(C)C3)C2)CC1 459881661 FEMFFKQQVKRQJA-LJQANCHMSA-N 377.489 -1.013 30 10 GAEE CCOC(=O)CON=C(C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)c1cc[nH]n1 1302538841 BARRPGNZPCMHET-AOOOYVTPSA-N 377.357 -1.233 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 1302923658 CHDHUEZNEKOKCJ-CYBMUJFWSA-N 389.499 -1.187 30 10 GAEE CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1328923547 JJGJSVCMQMMNNF-MFKMUULPSA-N 375.385 -1.177 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1(O)CC(N)C1 2282303070 QQCJMOCWIYEYIK-UHFFFAOYSA-N 387.271 -1.755 30 10 GAEE C=CCn1c([C@@H]2COCCN2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1338862911 JLLDYNDNXSUODP-STQMWFEESA-N 375.433 -1.386 30 10 GAEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1=O 1641148218 FEMLATCQTBRCJX-OAHLLOKOSA-N 394.453 -1.145 30 10 GAEE C#CCOCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1775937726 QZJHREOKMZFHTH-NQNKBUKLSA-N 394.417 -2.498 30 10 GAEE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2267713192 MIAIZDGXOCBTHX-NXEZZACHSA-N 375.256 -1.261 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)C(=O)O 2269039694 VEEUURINVIUHEK-MRVPVSSYSA-N 375.212 -1.557 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC[C@@H]1CO 2282337614 MGFAFEWNGJKXTN-LLVKDONJSA-N 386.283 -1.326 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CC1 1312826915 YAEHYEYUSZERBI-ZIAGYGMSSA-N 383.474 -1.065 30 10 GAEE C[C@@H]1CCN(C(=O)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@H]1CO 1335058923 OGZNFEQIUDXDCH-PWSUYJOCSA-N 375.385 -1.319 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H](O)CO)n1 2267466137 WCCKCHTYCYSDLS-SNVBAGLBSA-N 375.256 -1.259 30 10 GAEE CCN(CC(=O)NC)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282290641 VROIAKGFKMSGGT-UHFFFAOYSA-N 387.271 -1.129 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCc2nn[nH]n2)n1 2282491494 LPFYRPSRUOAVAJ-UHFFFAOYSA-N 383.243 -1.247 30 10 GAEE CC1(C)OB(c2cnc(N3CC[C@@H](NC(=O)[C@@H](O)CO)C3)nc2)OC1(C)C 204876986 MSXOBXSZLAEXQS-OLZOCXBDSA-N 378.238 -1.176 30 10 GAEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)N[C@](C)(C#N)C1CC1 598638882 SECUYPKPIRKSRO-NVGCLXPQSA-N 377.401 -1.037 30 10 GAEE C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 1331310269 DKMGTCATSZVXLT-OAHLLOKOSA-N 378.429 -2.150 30 10 GAEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H](O)CO 2267707352 PAJYVVWODHSMOP-IUCAKERBSA-N 376.244 -1.866 30 10 GAEE CN(C)CC#CCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282314418 ZJQODLMVYBEMQY-UHFFFAOYSA-N 383.283 -1.042 30 10 GAEE NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)C(=O)O 22060007 QVQXRPXVRNLLEO-GUBZILKMSA-N 378.451 -1.709 30 10 GAEE in-vitro C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)S(N)(=O)=O 541030918 UMOYRRJZDWBUBM-CYBMUJFWSA-N 393.469 -1.004 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 568553880 ALCHJKVQPIRCMW-HNNXBMFYSA-N 382.461 -1.255 30 10 GAEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)NC)n(C)c2)CC1 735923151 NNWVBRFGACUAPH-UHFFFAOYSA-N 395.485 -1.170 30 10 GAEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(CCOC)C(=O)C2)c1=O 787240649 YXACITJGCHOFST-UHFFFAOYSA-N 393.444 -1.318 30 10 GAEE N#Cc1cn(C2CN(C(=O)C(=O)N3CCC(O)(C(F)F)CC3)C2)c(=O)nc1O 1118892363 MUDNFEVKRYEISN-UHFFFAOYSA-N 397.338 -1.178 30 10 GAEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1158796137 JNISKCUSXHXEAL-TVYUQYBPSA-N 376.394 -1.044 30 10 GAEE C#CCN(C(=O)C(=O)N1CC[C@@](OC)(C(=O)OC)C1)[C@@H]1CCS(=O)(=O)C1 1331590511 ODIVTCNJYSXIGM-WBMJQRKESA-N 386.426 -1.574 30 10 GAEE C=CCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OC)CCOC1 1339541785 IURVLOZGACIABY-SJCJKPOMSA-N 376.417 -1.127 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O 2282658054 SAEZKOPSYWUPLX-IUCAKERBSA-N 386.239 -1.998 30 10 GAEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H](O)C(=O)O 2284396155 UACLZCLQFSERSJ-PSASIEDQSA-N 389.239 -1.168 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC(N)(CO)CO 2286185614 WYBXEPDHMPAFPJ-UHFFFAOYSA-N 391.259 -2.925 30 10 GAEE C#CCCN(CCOC)C(=O)C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1335033479 GFLJVDHMPONYEG-LJQANCHMSA-N 395.456 -1.039 30 10 GAEE O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 1443530422 HTGCIGZKFZJJOF-BLUUNYBNSA-N 388.380 -1.209 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)CC1 1558072841 FZRRSACQNYTFME-UHFFFAOYSA-N 385.446 -1.728 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CCO)C(=O)O 2284414279 FZOSKZIMBRNDSC-SECBINFHSA-N 389.239 -1.167 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(=O)N=S(C)(C)=O)CC1 1687254039 YALVIKIRUGBGTQ-UHFFFAOYSA-N 379.464 -1.965 30 10 GAEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1=O 1854208996 CDXUCQVNUKHLFN-KBPBESRZSA-N 398.485 -1.132 30 10 GAEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1=O 1873017257 MUIUQNJJUKAELM-INIZCTEOSA-N 377.489 -1.061 30 10 GAEE 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N#C[C@@]1(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CCCOC1 1147776527 ZSHNVBCJHDLACV-YOEHRIQHSA-N 398.485 -1.246 30 10 GAEE CN(C)C[C@@H](O)CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282288965 UJHRDJLXVHFVGI-JTQLQIEISA-N 389.287 -1.685 30 10 GAEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H](O)C(=O)O 2284396157 UACLZCLQFSERSJ-WCBMZHEXSA-N 389.239 -1.168 30 10 GAEE C=CCNC(=O)CN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 27558876 GYXLIEQBGVGQOX-UHFFFAOYSA-N 378.433 -2.231 30 10 GAEE CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 558216407 GMLRZYBITMZSRN-MRXNPFEDSA-N 385.472 -1.036 30 10 GAEE C#CCN(CC(=O)N(C)C[C@H]1COCCO1)CC(=O)N(C)C[C@H]1COCCO1 824502107 DDBKVLADSDITCW-IRXDYDNUSA-N 397.472 -1.331 30 10 GAEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1O 1289193125 YXFUVPOTGNXPFZ-LPWJVIDDSA-N 389.474 -1.407 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 1302923652 BVNBTCHMLWXKPY-ZDUSSCGKSA-N 392.503 -2.283 30 10 GAEE 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C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H](C(=O)OC)C2)CC1 1665751622 ZDYULDUIAJCYCZ-TXEJJXNPSA-N 379.460 -1.647 30 10 GAEE C#CCN(C(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H]1CCS(=O)(=O)C1 759427631 YWRLQYXZWBIJSR-ZDUSSCGKSA-N 377.488 -1.788 30 10 GAEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(=O)O 2284417023 FZLNWCFRISUOKO-PSASIEDQSA-N 389.239 -1.168 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 559331436 PUZIGYOVAUUQKY-UHFFFAOYSA-N 381.477 -1.729 30 10 GAEE C#CCN(C(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)[C@H]1CCS(=O)(=O)C1 1327316133 GEEXPXYVRLBZCM-KGLIPLIRSA-N 398.485 -1.150 30 10 GAEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC[C@]12CCOC2=O 1342093899 BTEBNWCAUGPZDG-MUSGIIIZSA-N 376.369 -1.063 30 10 GAEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1 1690670940 MHWJGLPWVICKMX-NSHDSACASA-N 382.446 -1.581 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCS(N)(=O)=O)n1 2267465157 MTDRWHPIOSZGAW-UHFFFAOYSA-N 394.284 -1.714 30 10 GAEE Cc1nc(S(=O)(=O)NC(CO)CO)c(B2OC(C)(C)C(C)(C)O2)n1C 2267730987 DOPBTFZUWMDFQZ-UHFFFAOYSA-N 375.256 -1.341 30 10 GAEE CC(=N\NC(=N)N(C)S(C)(=O)=O)/C(C)=N/NC(=N)N(C)S(C)(=O)=O 642773353 ITRLJAPJJMWPAB-FNCQTZNRSA-N 382.472 -1.430 30 10 GAEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccnn2COC)CC1 1671154160 FGEVAPVQPQGNSZ-UHFFFAOYSA-N 377.448 -1.739 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC(C(=O)O)C(=O)O)n1 2284411335 IYPWNBJWZYBTRF-UHFFFAOYSA-N 389.195 -1.465 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)CC1 410651707 INDMGEWKITWFHM-CQSZACIVSA-N 379.461 -1.488 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 1632966677 UZXNVAARIGAVNF-GFCCVEGCSA-N 393.491 -2.486 30 10 GAEE C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CC1 44741937 FLPGEQGGWBFBRW-INIZCTEOSA-N 385.490 -1.011 30 10 GAEE C#CCNC(=O)CCN1C[C@H](C(=O)OC)N(CCC(=O)NCC#C)C[C@H]1C 831889629 DFAHKXXURFENLZ-HZPDHXFCSA-N 376.457 -1.187 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 1471206036 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-1.187 30 10 GAEE CN(C)C(=O)CN/C(=N\CCN1CCOCC1)N1CCN2C(=O)CC[C@H]2C1 262296679 MOQIZYMSTMZKJT-HNNXBMFYSA-N 380.493 -1.341 30 10 GAEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CNCCOC1 2282850659 RNQFKVNSINGDFD-NSHDSACASA-N 386.283 -1.014 30 10 GAEE C#CCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 731213673 NDSAIWZVNFXCBZ-ZDUSSCGKSA-N 379.504 -1.494 30 10 GAEE C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 875599603 RKNDNPWPNRBVSM-INIZCTEOSA-N 394.472 -1.466 30 10 GAEE CC(=O)NCCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282839533 FMVSHGSJEFILME-UHFFFAOYSA-N 387.271 -1.081 30 10 GAEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CCO)CNC1 2282850696 RXGDUHOPGIRVCN-UHFFFAOYSA-N 386.283 -1.278 30 10 GAEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 459914072 KUMLNVLKLAMYPE-UHFFFAOYSA-N 398.423 -1.637 30 10 GAEE C#CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 733673393 YOPKZSKTKUNRSX-UHFFFAOYSA-N 378.410 -1.115 30 10 GAEE N#Cc1cn(C2CN(C(=O)C(=O)N3CC[C@@](O)(C(F)F)C3)C2)c(=O)nc1O 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379.490 -1.034 30 10 GAEE CC(C)C(=O)N1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1258382373 HRQPEXGFSDRJNP-PFONDFGASA-N 391.428 -1.044 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1302923911 FATCANRZSMMXHR-CYBMUJFWSA-N 377.488 -1.187 30 10 GAEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 1656636949 BMQYZUPJMOYDKJ-UHFFFAOYSA-N 391.427 -1.160 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 459882669 GROLOBSDSXLLKB-OAHLLOKOSA-N 392.378 -1.042 30 10 GAEE Cn1cc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cn1 530271522 IUDJQLCEKYBIPK-SNVBAGLBSA-N 383.368 -1.010 30 10 GAEE COC(=O)[C@]1(N2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)CCOC1 1118832675 OOMMUDPISOBXPL-MSOLQXFVSA-N 394.428 -1.660 30 10 GAEE C#CCN(C(=O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)[C@H]1CCS(=O)(=O)C1 1261555389 CSJMXKHJEQDYLE-QWHCGFSZSA-N 383.426 -1.265 30 10 GAEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)C1=O 1520584007 OXTLNXSWLFUABH-BDJLRTHQSA-N 399.425 -1.184 30 10 GAEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 27559411 WQJYVDQGAFORTD-LBPRGKRZSA-N 392.460 -1.843 30 10 GAEE CCN1C(=O)/C(=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)c2ccccc21 245020847 MKDWSUUPJKORDH-USFQYCJESA-N 393.396 -1.283 30 10 GAEE CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2nncc2C1 349535273 IXXUDBVYGVJGRW-UHFFFAOYSA-N 376.464 -1.011 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 656060755 KKYQLBQUADMJAT-LSDHHAIUSA-N 379.461 -2.290 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](OC)[C@H]2CCOC2)CC1 658446626 CPUVEOCIJKASOV-LSDHHAIUSA-N 382.461 -1.400 30 10 GAEE C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 584498606 XYVNGIPCIMFQRV-AREMUKBSSA-N 384.502 -1.150 30 10 GAEE C#CCN(C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1)[C@@H]1CCS(=O)(=O)C1 852914101 NCEMFCNVQYUJAY-XHBSWPGZSA-N 384.410 -1.805 30 10 GAEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c1=O 853565026 YNMQGLVRKYOPHU-CYBMUJFWSA-N 399.473 -1.533 30 10 GAEE C#C[C@H](CO)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H](C#C)CO 854778614 YQSLPJWBJHDPSZ-KBXIAJHMSA-N 393.440 -1.310 30 10 GAEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CC(=O)NC1=O 2282336127 YWMTWROLAQBADN-SECBINFHSA-N 384.223 -1.587 30 10 GAEE C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1335300971 OVPOASPXUGXNRL-ZDUSSCGKSA-N 377.401 -1.165 30 10 GAEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC(=O)NCCN1CCOCC1 1464832233 BEUREUHNTCKWOG-MSUUIHNZSA-N 379.417 -1.533 30 10 GAEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC1 1558073165 MVLZPWDNXZKXKU-OAHLLOKOSA-N 385.446 -1.633 30 10 GAEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598568775 ZUFGNJQPBYUHLU-HEHGZKQESA-N 382.442 -1.490 30 10 GAEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CNCCOC2)n1 2282416086 QIQCODMBUWVGDI-NSHDSACASA-N 386.283 -1.014 30 10 GAEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1COCC[C@@H]1N 2282839264 AZILUCSJNUSLLY-UWVGGRQHSA-N 387.271 -1.491 30 10 GAEE 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