smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=N[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O 379701843 HFKUSYWEILNCQU-PTSYSAGVSA-N 219.153 -1.811 10 10 BACE N=c1nnc(OCCOCCN)n[nH]1 2209555922 MCIKBOUBILFDSI-UHFFFAOYSA-N 200.202 -1.967 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 308699065 WBXNOAAHQIBSBE-CQOGJGKDSA-N 219.197 -1.656 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@H](CCO)[C@@H]1O 223137054 JREOTAAGPRYVQU-PZRMXXKTSA-N 203.198 -1.240 10 10 BACE CC(=O)C(=O)[C@H](O)C[C@@H]1CNCCO1 1892807953 RIXIQKSNBYTCHJ-HTQZYQBOSA-N 201.222 -1.116 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)C(=O)O[C@H]1[C@H](O)CO 306760123 WFXHDJPHQYUSCY-MBMOQRBOSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)[C@H](O)C(=O)CO 137878587 DHCFCMVDOWDQHL-ZXEDONINSA-N 205.170 -2.059 10 10 BACE in-vitro [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@]1(O)C(=O)O 389490722 RTWKCBNVYSGJAR-JAAJRMNQSA-N 219.153 -2.423 10 10 BACE C[C@@]1(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 383696068 BXWDGTFLYKHREV-GESKJZQWSA-N 219.197 -2.127 10 10 BACE O=C1NC(=O)[C@@H]2C1=CC=CC2=S(=O)=O 100377765 DISOQBOCQAEMAE-ZCFIWIBFSA-N 211.198 -1.193 10 10 BACE C[C@]1(COc2nnc(=N)[nH]n2)COCCO1 2211981590 ZYNSWLIBSGCHQT-MRVPVSSYSA-N 227.224 -1.137 10 10 BACE CN(C[C@H](O)CN)C(=O)c1cc(O)nc(O)c1 310327568 KYAZGITVKFGFBA-SSDOTTSWSA-N 241.247 -1.116 10 10 BACE N=c1nnc(OC[C@@H]2COCCCO2)n[nH]1 2210650318 SYTSCDBHPNTDQM-LURJTMIESA-N 227.224 -1.137 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@@H](O)CCN21 379701157 MVNFSXZTTRLMJR-IMFYSGRJSA-N 214.225 -1.164 10 10 BACE N=c1nnc(OC[C@]23CCO[C@@H]2CNC3)n[nH]1 2253347817 MOSVFFKWPLEMNZ-HZGVNTEJSA-N 238.251 -1.564 10 10 BACE N=c1nnc(OC[C@H](N)C[C@@H]2CCCO2)n[nH]1 2213780470 GKPTWPFWBVNECT-RQJHMYQMSA-N 240.267 -1.046 10 10 BACE [N-]=[N+]=N[C@@]12C(=O)O[C@@H]([C@H](O)[C@@H]1O)[C@@H]2O 306450488 CGILELFMZVTEIU-BYHBOUFCSA-N 201.138 -1.943 10 10 BACE C[C@@H](N=[N+]=[N-])[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 139038568 ASADBDJHGNAQHL-KTWJAUQNSA-N 219.197 -1.515 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O 205721824 UMVGRQGCOVIFLI-PHYPRBDBSA-N 205.170 -1.903 10 10 BACE N=c1nnc(OCCN2CCOCC2)n[nH]1 2210650772 ZDNKFCZSXMSYDM-UHFFFAOYSA-N 226.240 -1.610 10 10 BACE O=C1NC(=O)C(=CN2CCNCC2)C(=O)N1 27232424 KRPQZLQSLOSNFP-UHFFFAOYSA-N 224.220 -1.859 10 10 BACE O=C(N[C@H]1COC[C@H]1O)c1cc(O)nc(O)c1 323613370 UBZNFLSIQWNPHN-NKWVEPMBSA-N 240.215 -1.018 10 10 BACE N[C@@H](C(=O)NC[C@@H](O)CO)c1ccccc1O 83367885 LAVNFWOQVLHEAX-GMSGAONNSA-N 240.259 -1.139 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O 238681850 SCCUYVKSWGEZPQ-NEEWWZBLSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=NC[C@@H]1OC(=O)[C@H](O)[C@H](O)[C@@H]1O 306168732 CNIBMDJYYWDSJO-NRXMZTRTSA-N 203.154 -1.695 10 10 BACE Cn1nnc([C@@H](NCCN=[N+]=[N-])C(N)=O)n1 700291522 JMMQWVMBBMHQBU-BYPYZUCNSA-N 225.216 -1.364 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 299888859 BPWHMSFNUDJDKX-OMMKOOBNSA-N 207.186 -2.267 10 10 BACE [N-]=[N+]=NC[C@@H]1C[C@H](O)[C@H](O)[C@@](O)(CO)O1 393701240 AXKZFTWVMHVXCG-ZTYPAOSTSA-N 219.197 -1.512 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O 205721863 CMLRUUHRGSJVMD-URLGYRAOSA-N 205.170 -1.903 10 10 BACE CO[C@H]1O[C@H]([C@@H](O)CN=[N+]=[N-])[C@@H](O)[C@@H]1O 238385996 NZWMLTAQLPDVCH-ZVPSTABDSA-N 219.197 -1.249 10 10 BACE Cn1nnc(C(=O)[C@@H]2CCC(=O)C2=O)n1 1932573601 MNIKXCZVALAOMR-SCSAIBSYSA-N 208.177 -1.059 10 10 BACE CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O 13074611 CCZCDCDASZJFGK-HNEXDWKRSA-N 246.223 -1.760 10 10 BACE NC1CN(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980567965 CDJRMIJOBCLWST-ZKCHVHJHSA-N 225.292 -1.105 10 10 BACE [N-]=[N+]=NC[C@]1(O)[C@H](CO)O[C@@H](O)[C@@H]1O 307552564 VAKYYWVYLBFCKH-AZGQCCRYSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=NC[C@]1(O)[C@H](CO)O[C@H](O)[C@H]1O 307552566 VAKYYWVYLBFCKH-FSIIMWSLSA-N 205.170 -1.902 10 10 BACE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@H](O)CO 705073192 AYFUTGQFUVYAPA-IYSWYEEDSA-N 242.231 -1.036 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O 34061605 BFWPUXLMVHSPRI-DSOBHZJASA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@H](O)[C@@H](N)[C@H]1O 307532746 NIHXQCSNUFIILL-RXRWUWDJSA-N 204.186 -1.937 10 10 BACE CC(=O)C(=O)[C@@H](O)[C@@H]1CNCCOC1 1934040868 UXZAPZFFZXPFDD-APPZFPTMSA-N 201.222 -1.259 10 10 BACE C[C@H]1COCCN1CCOc1nnc(=N)[nH]n1 2249139274 IUSLVCHIOTVWBR-ZETCQYMHSA-N 240.267 -1.221 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H]2C[C@@]2([C@@H](O)CO)[C@@H](O)[C@@H]1O 238712080 MAUVSWRVYZQANO-PPOMMRCSSA-N 215.209 -1.240 10 10 BACE CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](N=[N+]=[N-])[C@H]1O 383683115 GYDJDEMUCPLUNM-TYDWOXHJSA-N 219.197 -1.249 10 10 BACE CC(=O)C(=O)[C@@H](O)C[C@H]1CNCCO1 1892807956 RIXIQKSNBYTCHJ-YUMQZZPRSA-N 201.222 -1.116 10 10 BACE N=c1nnc(OC[C@@H]2CO[C@@H]3CNC[C@H]23)n[nH]1 2213781308 QEBYVGPYWPJGAO-RRKCRQDMSA-N 238.251 -1.708 10 10 BACE C[C@H](N=[N+]=[N-])[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O 308679307 KLPYUSGYVVBZFH-AZEWMMITSA-N 219.197 -1.513 10 10 BACE CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O 35340655 CCZCDCDASZJFGK-PVFLNQBWSA-N 246.223 -1.760 10 10 BACE N[C@@H](C(=O)NC[C@H](O)CO)c1ccccc1O 83367883 LAVNFWOQVLHEAX-OIBJUYFYSA-N 240.259 -1.139 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)O[C@@H](CO)[C@H](O)[C@@H]1O 39304212 URARQBMUQIRZQO-FQJSGBEDSA-N 205.170 -1.903 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](N)[C@H]1O 308697587 TUINECOOWWLFTE-VOQCIKJUSA-N 218.213 -1.283 10 10 BACE COC(=O)[C@@H](O)[C@H](O)[C@H](CO)N=[N+]=[N-] 379340354 SDOFPKUQLNGNOB-LMVFSUKVSA-N 205.170 -1.448 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O 202817853 URARQBMUQIRZQO-BYIBVSMXSA-N 205.170 -1.903 10 10 BACE in-vitro [N-]=[N+]=N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O 238671331 URARQBMUQIRZQO-YJRYQGEOSA-N 205.170 -1.903 10 10 BACE CN1CCN[C@H](COc2nnc(=N)[nH]n2)C1 2210652948 CIMQLGYAHMYRHS-LURJTMIESA-N 225.256 -2.038 10 10 BACE N=c1nnc(OC[C@@H]2C[C@@H]3OCC[C@H]3N2)n[nH]1 2213786989 FLIPJWCWHOCONW-XVMARJQXSA-N 238.251 -1.423 10 10 BACE COC[C@@H](N=[N+]=[N-])[C@H]1O[C@H](O)[C@H](O)[C@H]1O 383689064 SQLPRNAOJMGTRT-GKHCUFPYSA-N 219.197 -1.249 10 10 BACE COCCCNC(=O)C[C@H]1C(=O)NN(C)C1=O 169995600 LWNWANTVDGCUSW-ZETCQYMHSA-N 243.263 -1.351 10 10 BACE CO[C@@]1(CN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O 238382824 KYIIPVNAQYMKKR-JWXFUTCRSA-N 219.197 -1.248 10 10 BACE CO[C@@H](CN=[N+]=[N-])[C@H](O)[C@@H](O)C(=O)CO 238380928 VCSQQDPDWPCOPQ-ACZMJKKPSA-N 219.197 -1.405 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)O[C@@H]2[C@H](O)C(=O)O[C@H]12 307643199 LLKJNMKVLFMCPN-BPIYWVGCSA-N 201.138 -1.331 10 10 BACE CCCNCC(=O)C(=O)C[C@H](O)CO 308420315 XDKYDXIGOWOQDZ-ZETCQYMHSA-N 203.238 -1.133 10 10 BACE CNC(=O)[C@@H]1O[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 307619987 HZMGQRSHCKOWAA-HCRRSRSNSA-N 202.170 -1.511 10 10 BACE [N-]=[N+]=N[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O 139005293 MYDRSEXSWRXBRS-TVNFTVLESA-N 214.225 -1.164 10 10 BACE [N-]=[N+]=NC[C@@H](F)[C@@H](O)[C@H](O)C(=O)CO 139486588 QEYIQRLJXHBAIG-UYFOZJQFSA-N 207.161 -1.082 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 307403660 KTRSBMDLCXWFCL-CDRYSYESSA-N 205.170 -2.517 10 10 BACE O=C1NC(=O)C(=CNc2nnc[nH]2)C(=O)N1 10434969 PUYIXUJNCQTYRU-UHFFFAOYSA-N 222.164 -1.534 10 10 BACE COC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H]1N=[N+]=[N-] 196113958 YKXRSKFWXSEPDL-KAZBKCHUSA-N 217.181 -1.041 10 10 BACE C[C@@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](O)CO 705073193 AYFUTGQFUVYAPA-VDTYLAMSSA-N 242.231 -1.036 10 10 BACE N=c1nnc(OC[C@@H]2[C@H]3CCNC[C@@H]32)n[nH]1 2210643964 MURQGOUVKHZAKO-LYFYHCNISA-N 222.252 -1.087 10 10 BACE N=c1nnc(OC[C@H](N)C[C@H]2CCCO2)n[nH]1 2213780469 GKPTWPFWBVNECT-RNFRBKRXSA-N 240.267 -1.046 10 10 BACE C[C@@]1(O)[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O 308674352 BXWDGTFLYKHREV-YXVPSNDASA-N 219.197 -2.127 10 10 BACE CC[C@@]1(COc2nnc(=N)[nH]n2)COCCN1 2213789570 JRRAXYMBBAPBNC-VIFPVBQESA-N 240.267 -1.173 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H](N)[C@@H]1O 308697583 TUINECOOWWLFTE-ULQPCXBYSA-N 218.213 -1.283 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@]1(O)C(=O)O 389490725 RTWKCBNVYSGJAR-NREQVXGBSA-N 219.153 -2.423 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@@H]1OC(=O)[C@@H](O)[C@H]1O 197144354 SCCUYVKSWGEZPQ-MBMOQRBOSA-N 203.154 -1.695 10 10 BACE O=C(NCC1(O)CNC1)c1cc(O)nc(O)c1 302249594 KEZBPKMXTVFPRB-UHFFFAOYSA-N 239.231 -1.443 10 10 BACE CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 143251985 QYZPIZZUWJKSTF-NYMZXIIRSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O 202000007 YMGPURNHTJGZBK-WNJXEPBRSA-N 201.182 -1.320 10 10 BACE CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 383708378 WUXIOHNNHKEPKP-NYMZXIIRSA-N 219.197 -1.249 10 10 BACE CO[C@@H]1O[C@@H]([C@H](O)CN=[N+]=[N-])[C@H](O)[C@H]1O 394938575 NZWMLTAQLPDVCH-BNWJMWRWSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NCCN1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 693442614 GOPTZHFAVHVFIS-OLQVQODUSA-N 226.240 -1.185 10 10 BACE N=c1nnc(OC[C@H]2COCCCO2)n[nH]1 2210650319 SYTSCDBHPNTDQM-ZCFIWIBFSA-N 227.224 -1.137 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 5132053 CMLRUUHRGSJVMD-ZSNZIGRDSA-N 205.170 -1.903 10 10 BACE CN1NC(=O)[C@@H](N2CCC(C(=O)O)CC2)C1=O 106156185 FFAKQDVLZQNXHB-SSDOTTSWSA-N 241.247 -1.345 10 10 BACE CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O 13074609 CCZCDCDASZJFGK-CBQIKETKSA-N 246.223 -1.760 10 10 BACE CC(=O)C(=O)[C@]1(O)CCS(=O)(=O)C1 1929131883 UTQBJGDPNLWBEJ-ZETCQYMHSA-N 206.219 -1.306 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O 197345245 SCEUDJRSQLNFKT-DPYQTVNSSA-N 205.170 -1.902 10 10 BACE CO[C@]1(CN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@H]1O 308679855 KYIIPVNAQYMKKR-DBRKOABJSA-N 219.197 -1.248 10 10 BACE N=c1nnc(OC[C@@]23CCO[C@H]2CNC3)n[n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c1nnc(=N)[nH]n1 2210652307 UJXXORQHJMPTJD-MRVPVSSYSA-N 228.256 -1.188 10 10 BACE [N-]=[N+]=N[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O 306808053 NZYMIGLZTONBKI-KGJVWPDLSA-N 205.170 -1.903 10 10 BACE N=c1nnc(OC[C@@]23CNC[C@H]2COC3)n[nH]1 2213803944 YXUHGNIBJFSKTB-RCOVLWMOSA-N 238.251 -1.706 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@@H]1O 307397996 SCCUYVKSWGEZPQ-KKQCNMDGSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]1O 203233339 KFJSKWBEWBTBDI-FPRJBGLDSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1CO[C@](O)(CO)[C@H](O)[C@@H]1O 102205968 PKWGGYMHQZGSBV-KVTDHHQDSA-N 205.170 -1.902 10 10 BACE C[C@@H]1CNC[C@H](CCOc2nnc(=N)[nH]n2)O1 2213780517 GXOHQTQVTHGOSB-RQJHMYQMSA-N 240.267 -1.175 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@H]([N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O 687760217 KXHPYQDMDALNMS-QBFJYBIGSA-N 218.169 -1.203 10 10 BACE CC(C)S(=O)(=O)N(C)Nc1nnc(=N)[nH]n1 1901343316 CCEJVQMDKUSFTB-UHFFFAOYSA-N 247.284 -1.324 10 10 BACE [N-]=[N+]=NC1[C@H](O)[C@H]2C[C@@H](NC(=O)N2)[C@H]1O 379700195 JZNKWADLCYSHIO-MNEPWGMJSA-N 213.197 -1.159 10 10 BACE CC1(C)OCCN[C@H]1COc1nnc(=N)[nH]n1 2247985021 ANNMNPYOZJKYNZ-LURJTMIESA-N 240.267 -1.175 10 10 BACE C[C@@H](N=[N+]=[N-])[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 383700688 KLPYUSGYVVBZFH-ULQPCXBYSA-N 219.197 -1.513 10 10 BACE CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O 140277842 DITZTAYZVSZBCC-VEIUFWFVSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1OC(=O)[C@H](O)[C@@H]1O 306474385 VTZRFVSIKYWZBV-LECHCGJUSA-N 203.154 -1.695 10 10 BACE C[C@@H](O)[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 717349017 MXTYIFCVRMNKIZ-VDTYLAMSSA-N 242.231 -1.036 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@H](O)CCN21 379701158 MVNFSXZTTRLMJR-QQGCVABSSA-N 214.225 -1.164 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O 39304215 URARQBMUQIRZQO-HGVZOGFYSA-N 205.170 -1.903 10 10 BACE C[C@]1(O)O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O 383689678 UTTKAEFEQGCIPY-REQIZBSHSA-N 219.197 -1.513 10 10 BACE N=c1nnc(OC[C@]2(CN)CCCOC2)n[nH]1 2213784933 HFSBHHHNDXGWSH-VIFPVBQESA-N 240.267 -1.187 10 10 BACE [N-]=[N+]=NCCO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 308695178 QNXLFMLUXNXCPJ-VWDOSNQTSA-N 219.197 -1.248 10 10 BACE CO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1O 169640079 DITZTAYZVSZBCC-PZRMXXKTSA-N 219.197 -1.249 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 389482186 WUXIOHNNHKEPKP-ULQPCXBYSA-N 219.197 -1.249 10 10 BACE CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](N)[C@@H]1N=[N+]=[N-] 238385141 CFQQDJFWILAKAH-PZRMXXKTSA-N 218.213 -1.283 10 10 BACE C[C@@]12O[C@H](N=[N+]=[N-])[C@@H](O1)[C@H](O)[C@H](O)[C@H]2O 308673464 BAVQZCSCFAPWJE-ADTCQYHUSA-N 217.181 -1.149 10 10 BACE C[C@]1(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 308674351 BXWDGTFLYKHREV-IPQSZEQASA-N 219.197 -2.127 10 10 BACE CO[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H](O)C(=O)CO 220620596 VCSQQDPDWPCOPQ-LYFYHCNISA-N 219.197 -1.405 10 10 BACE [N-]=[N+]=N[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O 202000850 YMGPURNHTJGZBK-JWXFUTCRSA-N 201.182 -1.320 10 10 BACE CO[C@H]1[C@@H](O)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@H]1O 389467491 KSYQAKZKZNBKKV-GEGSFZHJSA-N 219.197 -1.863 10 10 BACE N=c1nnc(OC[C@@H]2COCC[C@@H]2N)n[nH]1 2210650568 WVJZGIMBPPUCMC-WDSKDSINSA-N 226.240 -1.578 10 10 BACE [N-]=[N+]=NC[C@H]1OC(=O)[C@@](O)(CO)[C@@H]1O 238694239 WOYHQZCJLAQMAD-ZMIZWQJLSA-N 203.154 -1.694 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 307110022 KTRSBMDLCXWFCL-PTQMNWPWSA-N 205.170 -2.517 10 10 BACE N=c1nnc(OC[C@]23CNC[C@H]2CCO3)n[nH]1 2217056647 AOUHBVJOAOCNRM-HZGVNTEJSA-N 238.251 -1.564 10 10 BACE N[C@@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2015074482 HHYFUCKXDYLNKR-ZCFIWIBFSA-N 242.231 -1.147 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@H](CCO)[C@H]1O 223137170 JREOTAAGPRYVQU-BIVRFLNRSA-N 203.198 -1.240 10 10 BACE [N-]=[N+]=N[C@@H]1CO[C@@](O)(CO)[C@@H](O)[C@@H]1O 6361567 PKWGGYMHQZGSBV-ZXXMMSQZSA-N 205.170 -1.902 10 10 BACE in-vitro CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](N=[N+]=[N-])[C@H]1O 383690556 WUXIOHNNHKEPKP-BIVRFLNRSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O 307075939 KTRSBMDLCXWFCL-XCMZKKERSA-N 205.170 -2.517 10 10 BACE N[C@H](c1cc(O)nc(O)c1)[C@@H](O)C(=O)O 1952606518 CHGJWGRIWZNGKC-RNFRBKRXSA-N 214.177 -1.062 10 10 BACE [N-]=[N+]=N[C@H]1CO[C@@](O)(CO)[C@H](O)[C@@H]1O 137314484 PKWGGYMHQZGSBV-KCDKBNATSA-N 205.170 -1.902 10 10 BACE CN1NC(=O)[C@H](CC(=O)N2CCOCC2)C1=O 169995603 BOVFYWOIDNDDDW-ZETCQYMHSA-N 241.247 -1.645 10 10 BACE C[C@]1(N=[N+]=[N-])[C@H](O)[C@H](O)O[C@@H](CO)[C@@H]1O 379700357 DVUZEDHLYOMNHJ-PAMBMQIZSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 197152606 HFKUSYWEILNCQU-FNIQGMNXSA-N 219.153 -1.811 10 10 BACE [N-]=[N+]=N[C@@H]1CN2CC[C@H](O)[C@@H]2[C@H](O)[C@H]1O 389469689 MYDRSEXSWRXBRS-OMKQZNDVSA-N 214.225 -1.164 10 10 BACE N=c1nnc(OC[C@H](N)C[C@@H]2CCOC2)n[nH]1 2213788847 BPMQYRMZBMHECZ-NKWVEPMBSA-N 240.267 -1.188 10 10 BACE [N-]=[N+]=N[C@@H]1C(=O)O[C@H]([C@H](O)CO)[C@H]1O 307118412 WPTGEMUDGDGUKP-MGCNEYSASA-N 203.154 -1.695 10 10 BACE C[C@H](N=[N+]=[N-])[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 308672965 ASADBDJHGNAQHL-GESKJZQWSA-N 219.197 -1.515 10 10 BACE CN(Nc1nnc(=N)[nH]n1)S(=O)(=O)C1CC1 1901341750 ZHFDRHKIIXTWTH-UHFFFAOYSA-N 245.268 -1.570 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](N=[N+]=[N-])[C@H](O)[C@@H]1O 308689182 ILJSIFPAYLYDDP-PFCGLBSHSA-N 219.197 -1.249 10 10 BACE NCC(=O)n1c2c([nH]c1=O)CCS(=O)(=O)C2 75211284 CBQCGSQZABEHRA-UHFFFAOYSA-N 245.260 -1.754 10 10 BACE CC(=O)N[C@H]1[C@@H](O)O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 139479360 JBCJECOTKGFRTM-WCMLQCRESA-N 246.223 -1.760 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 308675422 CYKRKWKDNIBUBF-XUVCUMPTSA-N 219.197 -1.861 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1O 231169474 DITZTAYZVSZBCC-XUUWZHRGSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NC[C@]1(O)[C@@H](CO)O[C@@H](O)[C@@H]1O 307470140 VAKYYWVYLBFCKH-MOJAZDJTSA-N 205.170 -1.902 10 10 BACE CO[C@@H]1[C@H](N=[N+]=[N-])O[C@H](CO)[C@H](O)[C@H]1O 379701138 ZSUYBRFJZLLZFI-IBISWUOJSA-N 219.197 -1.249 10 10 BACE CO[C@H]1CNC[C@](O)(C(=O)C(C)=O)C1 1892749537 XLRROGWMNIKJCW-APPZFPTMSA-N 201.222 -1.116 10 10 BACE CC(=O)C(=O)[C@@H](O)[C@@]1(C)COCCN1 1900512295 SPGAFYHNSKMYAY-RKDXNWHRSA-N 201.222 -1.116 10 10 BACE [N-]=[N+]=N[C@H]([C@H](O)CO)[C@@H](O)[C@@H](O)CO 238713321 KFBQAFVPWSZEHI-MOJAZDJTSA-N 207.186 -2.267 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](O)[C@H](CCO)[C@H]1O 39149244 JREOTAAGPRYVQU-IECVIRLLSA-N 203.198 -1.240 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H]1N 308674485 CJPGJQSANVQTHV-ULQPCXBYSA-N 218.213 -1.283 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 306340851 ZSXNUSZQWIFMSA-XUUWZHRGSA-N 203.198 -1.240 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](N)[C@@H]1O 308697576 TUINECOOWWLFTE-PFCGLBSHSA-N 218.213 -1.283 10 10 BACE N=c1nnc(OC[C@@]2(CN)CCCOC2)n[nH]1 2213784932 HFSBHHHNDXGWSH-SECBINFHSA-N 240.267 -1.187 10 10 BACE CNCCN(C)CCOc1nnc(=N)[nH]n1 2210653680 LWAKTHDDZSSHLI-UHFFFAOYSA-N 227.272 -1.791 10 10 BACE CC(=O)C(=O)[C@H](O)[C@H]1CNCCOC1 1934040870 UXZAPZFFZXPFDD-IONNQARKSA-N 201.222 -1.259 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@H]1O[C@H](O)[C@H](O)[C@@H]1O 34590336 BFWPUXLMVHSPRI-YJRYQGEOSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC1[C@@H](O)[C@H]2C[C@@H](NC(=O)N2)[C@@H]1O 238707773 JZNKWADLCYSHIO-DKRDYVQOSA-N 213.197 -1.159 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@]2([C@@H](O)CO)C[C@H]12 308691553 MAUVSWRVYZQANO-ZWDHIVPGSA-N 215.209 -1.240 10 10 BACE N=c1nnc(OCCO[C@@H]2CCCNC2)n[nH]1 2213787298 JCLBUFTVIGKRMQ-SSDOTTSWSA-N 240.267 -1.173 10 10 BACE [N-]=[N+]=NCCN(CC(N)=O)CC(N)=O 61808406 OVUNEXYRILQOPL-UHFFFAOYSA-N 200.202 -1.431 10 10 BACE COC[C@](C)(CN)COc1nnc(=N)[nH]n1 2210647017 OXAXTFIXIQYLDQ-QMMMGPOBSA-N 228.256 -1.331 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@@](O)(CO)[C@H]1O 307182395 UXYAEOPDPWNGIL-OMMKOOBNSA-N 205.170 -1.902 10 10 BACE NC(=O)C(NCc1cc(F)ccc1O)C(N)=O 695298575 GWKHTXATDKMWSF-UHFFFAOYSA-N 241.222 -1.040 10 10 BACE [N-]=[N+]=NCCO[C@@]1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O 256003214 TXIWDMGGRBUWOQ-YWIQKCBGSA-N 249.223 -1.885 10 10 BACE N=c1nnc(OC[C@@H]2CNC3(CC3)CO2)n[nH]1 2213781459 SKTDRSHUNKVVHD-LURJTMIESA-N 238.251 -1.421 10 10 BACE COCC(COC)COc1nnc(=N)[nH]n1 2210647876 VDNKVYOQSTWJNN-UHFFFAOYSA-N 229.240 -1.033 10 10 BACE [N-]=[N+]=N[C@@]12C(=O)O[C@@H]([C@H](O)[C@H]1O)[C@@H]2O 306450491 CGILELFMZVTEIU-WAXACMCWSA-N 201.138 -1.943 10 10 BACE [N-]=[N+]=NCCCN1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 2001857072 OJGKECDURCUIQG-KNVOCYPGSA-N 238.251 -1.014 10 10 BACE C[C@H]1CO[C@H](COc2nnc(=N)[nH]n2)CN1 2210652056 QNQWJEBQHUBEML-WDSKDSINSA-N 226.240 -1.565 10 10 BACE N=c1nnc(OC[C@@H]2C[C@H]3OCC[C@H]3N2)n[nH]1 2213786988 FLIPJWCWHOCONW-RRKCRQDMSA-N 238.251 -1.423 10 10 BACE N[C@@H]1COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 1944916832 CYYWGAOTTCIXKQ-RQJHMYQMSA-N 239.231 -1.051 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)[C@H](O)C[C@](O)(CO)[C@@H]1O 139597012 IERPJTIHGXJFPZ-PZRMXXKTSA-N 219.197 -2.125 10 10 BACE C[C@@H]1N[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@@H]1O 306405560 JPCAXARYYRNWSU-CXNFULCWSA-N 202.214 -1.260 10 10 BACE N[C@@H](CNC(=O)c1cc(O)nc(O)c1)C(=O)O 323340919 AEVABSHEMMZLOK-YFKPBYRVSA-N 241.203 -1.366 10 10 BACE C[C@H](N=[N+]=[N-])[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O 308679314 KLPYUSGYVVBZFH-YPPKRKOXSA-N 219.197 -1.513 10 10 BACE COC(=O)[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O 383688563 RUVRDQHMXBWCLJ-KAZBKCHUSA-N 217.181 -1.041 10 10 BACE C[C@@H](COc1nnc(=N)[nH]n1)N1CCNCC1 2213787286 JAIWFKBPSQHMPJ-ZETCQYMHSA-N 239.283 -1.648 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H]1O 379700642 IINBSBYFLLXDKP-PFCGLBSHSA-N 219.197 -1.861 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O 306243297 NZYMIGLZTONBKI-FPRJBGLDSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)O[C@@H](C(=O)O)[C@H](O)[C@@H]1O 1848432795 LHNGMVUPXLPGAZ-YBSDWZGDSA-N 219.153 -1.811 10 10 BACE COC[C@H](N)COc1nnc(=N)[nH]n1 2209560113 LPPHVAVGMWVQLG-BYPYZUCNSA-N 200.202 -1.968 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O 306243300 NZYMIGLZTONBKI-VFUOTHLCSA-N 205.170 -1.903 10 10 BACE N=c1nnc(OC[C@H]2CO[C@@H](CN)C2)n[nH]1 2210647334 PFSSOQYCWXAHKL-PHDIDXHHSA-N 226.240 -1.578 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@H]1O[C@H](O)[C@@H](O)[C@H]1O 34061606 BFWPUXLMVHSPRI-ZSNZIGRDSA-N 205.170 -1.903 10 10 BACE NCC(=O)NCCN1C(=O)CSC1=S 379386205 WTQYUGFXQFZVKI-UHFFFAOYSA-N 233.318 -1.078 10 10 BACE [N-]=[N+]=N[C@H]1CO[C@@](O)(CO)[C@@H](O)[C@@H]1O 6361538 PKWGGYMHQZGSBV-FSIIMWSLSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@H]1O 616583621 URARQBMUQIRZQO-URLGYRAOSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 379701842 HFKUSYWEILNCQU-OGZQUKKDSA-N 219.153 -1.811 10 10 BACE C[C@]1(O)O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H]1O 308698321 UTTKAEFEQGCIPY-BIVRFLNRSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=NC[C@@H]1OC(=O)[C@@](O)(CO)[C@@H]1O 238694247 WOYHQZCJLAQMAD-MRKVFDINSA-N 203.154 -1.694 10 10 BACE C[C@H](O)[C@H](CO)NC(=O)c1cc(O)nc(O)c1 2005855676 ZAPIMEJMKZAIGL-FSPLSTOPSA-N 242.231 -1.036 10 10 BACE NCCN(CCO)C(=O)c1cc(O)nc(O)c1 1946746779 RJUSOUPXSQUOGI-UHFFFAOYSA-N 241.247 -1.114 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H](O)C[C@@H](O)C(=O)O 238681283 NSYVRCOUOUTFHE-LMVFSUKVSA-N 205.170 -1.146 10 10 BACE CO[C@@H](CN=[N+]=[N-])[C@H](O)[C@H](O)C(=O)CO 143191299 VCSQQDPDWPCOPQ-XVMARJQXSA-N 219.197 -1.405 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@@H](O)[C@@H](N)[C@H]1O 307532745 NIHXQCSNUFIILL-AIECOIEWSA-N 204.186 -1.937 10 10 BACE C[C@H](N=[N+]=[N-])[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 308679310 KLPYUSGYVVBZFH-MLKOFDEISA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=NCCN1C[C@@H]2NC(=O)C(=O)N[C@@H]2C1 1979508028 OYGNQEPBMCVFDT-OLQVQODUSA-N 224.224 -1.405 10 10 BACE [N-]=[N+]=N[C@H]1C(=O)O[C@H]([C@H](O)CO)[C@H]1O 307414683 WPTGEMUDGDGUKP-SQOUGZDYSA-N 203.154 -1.695 10 10 BACE CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@@H]1O 383686753 OHFDTEVWNASWPJ-NYMZXIIRSA-N 216.197 -1.734 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@@H]([C@H](O)CO)O[C@@H](O)[C@@H]1O 197441765 VTPFXINJJZEFIO-CXNFULCWSA-N 219.197 -1.656 10 10 BACE [N-]=[N+]=N[C@@H]1C(=O)O[C@H]([C@@H](O)CO)[C@H]1O 307118413 WPTGEMUDGDGUKP-NEEWWZBLSA-N 203.154 -1.695 10 10 BACE O=C(N[C@@H]1CONC1=O)c1cc(O)nc(O)c1 1944108197 UZUVSHRAUFQEQC-RXMQYKEDSA-N 239.187 -1.347 10 10 BACE C[C@]1(N=[N+]=[N-])[C@H](O)[C@H](O)O[C@H](CO)[C@@H]1O 379700355 DVUZEDHLYOMNHJ-IECVIRLLSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@@]2(O)C(=O)O[C@@H]([C@H]1O)[C@@H]2O 389462759 HHNCMOVCTHOJJW-MZTCXBLVSA-N 215.165 -1.553 10 10 BACE OCC(O)(CO)CNCc1ccc(O)c(O)c1 1913786436 LVCLINZTABLTJN-UHFFFAOYSA-N 243.259 -1.097 10 10 BACE N[C@@H](c1cc(O)nc(O)c1)[C@H](O)C(=O)O 1952606516 CHGJWGRIWZNGKC-BQBZGAKWSA-N 214.177 -1.062 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O 253475975 CMLRUUHRGSJVMD-BSQWINAVSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 607695038 VGCOVRUENPCVTD-YQXRAVKXSA-N 249.223 -1.887 10 10 BACE [N-]=[N+]=N[C@@H]1C=C(CO)[C@H](O)[C@@H](O)[C@@H]1O 140793550 YMGPURNHTJGZBK-XZBKPIIZSA-N 201.182 -1.320 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H]1O[C@H](O)[C@H](O)[C@H]1O 307163622 ZOQJQZIAMXOKIM-KGJVWPDLSA-N 205.170 -1.903 10 10 BACE NC[C@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2015075620 UOUVERBHEZYDMO-LURJTMIESA-N 242.231 -1.147 10 10 BACE N[C@@H](c1cc(O)nc(O)c1)[C@@H](O)C(=O)O 1952606517 CHGJWGRIWZNGKC-NKWVEPMBSA-N 214.177 -1.062 10 10 BACE Cn1nnc(C(=O)[C@H]2CCC(=O)C2=O)n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c1cc(O)nc(O)c1 1952450359 YXTGMCKDGJRPJZ-RQJHMYQMSA-N 214.177 -1.062 10 10 BACE CN1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CC1=O 1987943658 LHNWGRUIRYXIIY-MRVPVSSYSA-N 226.240 -1.028 10 10 BACE NC(=O)[C@H]1C(=O)NCCN1c1ccc(CO)cc1 2064211728 OBRCHVQQXZYALC-JTQLQIEISA-N 249.270 -1.031 10 10 BACE NC(=O)[C@@H](O)CNC(=O)c1cccc(O)c1O 228505406 MFRXJOXWQUDMDH-ZETCQYMHSA-N 240.215 -1.326 10 10 BACE CO[C@]1(CO)O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 238417522 QTHDYNRZRJTMNP-MVIOUDGNSA-N 219.197 -1.248 10 10 BACE COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H]1N=[N+]=[N-] 308687512 YKXRSKFWXSEPDL-ARQDHWQXSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@]1(O)C(=O)O 389490728 RTWKCBNVYSGJAR-PTPXTALPSA-N 219.153 -2.423 10 10 BACE N[C@H]1COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 1944904193 CYYWGAOTTCIXKQ-BQBZGAKWSA-N 239.231 -1.051 10 10 BACE [N-]=[N+]=NC[C@H](F)[C@@H](O)[C@@H](O)C(=O)CO 238688415 QEYIQRLJXHBAIG-LFRDXLMFSA-N 207.161 -1.082 10 10 BACE CO[C@@H]1[C@H](CO)O[C@H](N=[N+]=[N-])[C@@H](O)[C@H]1O 308672558 AEGBXGLNGCPDQR-FHKSGDNWSA-N 219.197 -1.249 10 10 BACE COC[C@]1(COc2nnc(=N)[nH]n2)C=CCN1 2306888985 WBTXZWIRAMGSLA-VIFPVBQESA-N 238.251 -1.397 10 10 BACE O=C(N[C@@H](CO)C(=O)O)c1cc(O)nc(O)c1 19514501 SLRZIAXBZZDRIM-YFKPBYRVSA-N 242.187 -1.332 10 10 BACE C[C@@H]1N[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1O 306405561 JPCAXARYYRNWSU-MLKOFDEISA-N 202.214 -1.260 10 10 BACE CC(=O)C(=O)[C@H](N)[C@H](O)[C@@H](O)[C@@H](O)CO 308813299 AIWBNMWVDUSXLC-XVCLALHZSA-N 221.209 -3.453 10 10 BACE CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])O[C@@H](CO)[C@H](O)[C@H]1O 1083468489 CCZCDCDASZJFGK-WXUMCUSRSA-N 246.223 -1.760 10 10 BACE N=c1nnc(OCCO[C@H]2CCOC2)n[nH]1 2210647782 SHQWEEZBMJLZDG-LURJTMIESA-N 227.224 -1.137 10 10 BACE [N-]=[N+]=NCCCN1CCNC(=O)[C@H]1C(N)=O 1986329289 GFDCVTWVYJWVEH-ZCFIWIBFSA-N 226.240 -1.028 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](CO)O[C@H](O)[C@@H](O)[C@@H]1O 306198064 UMVGRQGCOVIFLI-KGJVWPDLSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H]2C[C@@H](NC(=O)N2)[C@H](O)[C@@H]1O 308694562 QFDQQGSMPDGWJF-DGPNFKTASA-N 213.197 -1.159 10 10 BACE NC[C@@H](CO)NC(=O)c1cc(O)c(O)c(O)c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c1cc(O)nc(O)c1 2010536810 IUKHVEDPXIIGSM-JTQLQIEISA-N 241.247 -1.068 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)O[C@@H](CO)[C@@H]1O 39284016 KFJSKWBEWBTBDI-GKFJPSPNSA-N 205.170 -1.903 10 10 BACE NC(=O)[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 228507408 RNCVPJZAXNAXAF-YFKPBYRVSA-N 241.203 -1.931 10 10 BACE O=C(NC1(CO)CNC1)c1cc(O)nc(O)c1 1918423766 CVJFFGVXVWCSHS-UHFFFAOYSA-N 239.231 -1.443 10 10 BACE NC(=O)[C@@H](O)CNC(=O)c1ccc(O)c(O)c1 228522289 HWSGCINEYXHJHB-QMMMGPOBSA-N 240.215 -1.326 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O 306886132 SCEUDJRSQLNFKT-UNTFVMJOSA-N 205.170 -1.902 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1N=[N+]=[N-] 308674438 CFQQDJFWILAKAH-BNWJMWRWSA-N 218.213 -1.283 10 10 BACE [N-]=[N+]=NCCCN1C[C@H]2NC(=O)C(=O)N[C@@H]2C1 2001857073 OJGKECDURCUIQG-RNFRBKRXSA-N 238.251 -1.014 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O 77271960 BFWPUXLMVHSPRI-DGPNFKTASA-N 205.170 -1.903 10 10 BACE in-vitro [N-]=[N+]=NC[C@@H]1OC(=O)[C@H](O)[C@H](O)[C@H]1O 306168742 CNIBMDJYYWDSJO-QMKXCQHVSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](N)[C@H](O)[C@H](O)[C@@H]1O 307436947 QBFXJUQJKLBFTK-BSQWINAVSA-N 204.186 -1.937 10 10 BACE CN1CCC(N)(COc2nnc(=N)[nH]n2)CC1 2307390975 MZJIOORXTKSCTN-UHFFFAOYSA-N 239.283 -1.519 10 10 BACE COC(=O)[C@H]1OC[C@@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 383689541 UFPBWFDVPOXUSQ-KAZBKCHUSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](N)[C@H](O)[C@@H](O)[C@H]1O 307436948 QBFXJUQJKLBFTK-XKTQNOIPSA-N 204.186 -1.937 10 10 BACE C[C@@H]1CNC[C@@H](COc2nnc(=N)[nH]n2)O1 2210651370 HRTDEBNBJIJVFO-RITPCOANSA-N 226.240 -1.565 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@@H]1O 202016427 DITZTAYZVSZBCC-PFCGLBSHSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1O 307468836 SCCUYVKSWGEZPQ-RSJOWCBRSA-N 203.154 -1.695 10 10 BACE N[C@H](C(=O)NC[C@@H](O)CO)c1ccccc1O 83367884 LAVNFWOQVLHEAX-XCBNKYQSSA-N 240.259 -1.139 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O 34590334 BFWPUXLMVHSPRI-HGVZOGFYSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](N)[C@H](O)[C@H](O)[C@H]1O 307436949 QBFXJUQJKLBFTK-YJRYQGEOSA-N 204.186 -1.937 10 10 BACE CN1C(=O)C(=CNCCN)C(=O)N(C)C1=O 390556692 IRVPQINYRDBXOD-UHFFFAOYSA-N 226.236 -1.531 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 616582840 KSRDTSABQYNYMP-MDMQIMBFSA-N 205.170 -1.903 10 10 BACE CC(=O)C(=O)[C@](C)(O)[C@H]1CNCCO1 1929231735 SWXXMZNHCMRZOK-VXNVDRBHSA-N 201.222 -1.116 10 10 BACE C[C@H](O)C(=[N+]=[N-])C(=O)OC[C@H](N)C(=O)O 5809695 WAKGSHQRLIGGLB-IMJSIDKUSA-N 217.181 -2.007 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 306899811 KTRSBMDLCXWFCL-CNWJWELYSA-N 205.170 -2.517 10 10 BACE CS(=O)(=O)NCC(=O)NCCN=[N+]=[N-] 308482139 MUUFZDLYDGZDKH-UHFFFAOYSA-N 221.242 -1.038 10 10 BACE NCC(CN)NC(=O)c1cc(O)nc(O)c1 389246865 BQTLZDQYPMURBO-UHFFFAOYSA-N 226.236 -1.491 10 10 BACE [N-]=[N+]=NC[C@H]1[C@@H]([C@@H](O)CO)O[C@@H](O)[C@H]1O 308699000 VTPFXINJJZEFIO-PFCGLBSHSA-N 219.197 -1.656 10 10 BACE NC(=O)[C@H](O)CNC(=O)c1cc(O)nc(O)c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c1cccc(O)c1O)C(N)=O 695291026 ZGZIFSXODJHCMX-UHFFFAOYSA-N 239.231 -1.473 10 10 BACE CCOC(=O)C(=O)[C-]1C(=O)CC(=O)C1=O 1088667275 YZOPHZDMCDWXQD-UHFFFAOYSA-N 211.149 -1.196 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)O[C@@H](CO)[C@@H]1O 379702860 YFOCLVFGJOTUSJ-NEVCITSRSA-N 219.197 -1.656 10 10 BACE [N-]=[N+]=N[C@@H]1CO[C@@](O)(CO)[C@H](O)[C@@H]1O 96029726 PKWGGYMHQZGSBV-KAZBKCHUSA-N 205.170 -1.902 10 10 BACE CO[C@@H]1[C@H](N=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@H]1O 379701137 ZSUYBRFJZLLZFI-BNWJMWRWSA-N 219.197 -1.249 10 10 BACE CC(=O)C(=O)[C@@](C)(O)[C@H]1CNCCO1 1929231732 SWXXMZNHCMRZOK-APPZFPTMSA-N 201.222 -1.116 10 10 BACE C[C@H](N=[N+]=[N-])[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 308672952 ASADBDJHGNAQHL-DBTJYCMPSA-N 219.197 -1.515 10 10 BACE O=C(N=NC(=O)NCCO)NCCO 254611918 HHPYLMLNMNDPAL-UHFFFAOYSA-N 204.186 -1.158 10 10 BACE [N-]=[N+]=N[C@@H]1CN(CCO)[C@@H](CO)[C@H]1O 308344822 NDLFPZZHBKXCRJ-VQVTYTSYSA-N 202.214 -1.305 10 10 BACE [N-]=[N+]=N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O 202000057 YMGPURNHTJGZBK-VZFHVOOUSA-N 201.182 -1.320 10 10 BACE N[C@H](CO)CNC(=O)c1cc(O)nc(O)c1 387156202 KUUYKAWLRVYEKZ-LURJTMIESA-N 227.220 -1.458 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)C[C@@](O)(CO)[C@@H]1O 379700091 IERPJTIHGXJFPZ-NYMZXIIRSA-N 219.197 -2.125 10 10 BACE N=c1nnc(OC[C@@H]2CCS(=O)(=O)N2)n[nH]1 2210651478 JCWUJMSZJZZTBW-BYPYZUCNSA-N 246.252 -2.250 10 10 BACE NC(=O)C1(NC(=O)Cc2ccc(N)cc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c1cc(O)nc(O)c1 387490908 ZAPIMEJMKZAIGL-IYSWYEEDSA-N 242.231 -1.036 10 10 BACE COC[C@@H](N)COc1nnc(=N)[nH]n1 2209560114 LPPHVAVGMWVQLG-SCSAIBSYSA-N 200.202 -1.968 10 10 BACE [N-]=[N+]=N[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O 238660641 HZFDWRYAPZYZAY-ARQDHWQXSA-N 205.170 -1.902 10 10 BACE CO[C@@H]1O[C@](OC)([C@H](C)N)C(CO)=C1CO 381272080 VVLVJBUFPXZUTM-WQGWLQIFSA-N 233.264 -1.040 10 10 BACE CO[C@@H]1[C@H](CO)O[C@H](N=[N+]=[N-])[C@H](O)[C@@H]1O 308672559 AEGBXGLNGCPDQR-TYDWOXHJSA-N 219.197 -1.249 10 10 BACE CC(=O)C(=O)C1(O)CCN(S(C)(=O)=O)CC1 1919440223 QBHAWALRLLEFHT-UHFFFAOYSA-N 249.288 -1.069 10 10 BACE COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1N=[N+]=[N-] 308687513 YKXRSKFWXSEPDL-DPYQTVNSSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 35822746 BPWHMSFNUDJDKX-KVTDHHQDSA-N 207.186 -2.267 10 10 BACE N=c1nnc(OCC(F)(F)CN)n[nH]1 2209555952 MJAOQBSMFJLXBY-UHFFFAOYSA-N 206.156 -1.348 10 10 BACE C[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO 238459442 AKYSLGUVFAHRBW-YIQPVQCUSA-N 219.197 -1.671 10 10 BACE O=C(NCC(CO)CO)c1cc(O)nc(O)c1 2009573256 CEAJWNGBIVHWQI-UHFFFAOYSA-N 242.231 -1.177 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1N 308674488 CJPGJQSANVQTHV-XUUWZHRGSA-N 218.213 -1.283 10 10 BACE [N-]=[N+]=N[C@H]1CO[C@](O)(CO)[C@H](O)[C@H]1O 307409132 PKWGGYMHQZGSBV-UNTFVMJOSA-N 205.170 -1.902 10 10 BACE in-vitro [N-]=[N+]=NC[C@H]1[C@H](O)[C@H](CO)O[C@@H](O)[C@H]1O 379702857 YFOCLVFGJOTUSJ-AZEWMMITSA-N 219.197 -1.656 10 10 BACE C[C@]1(N=[N+]=[N-])[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O 383682310 DVUZEDHLYOMNHJ-VEIUFWFVSA-N 219.197 -1.513 10 10 BACE N=c1nnc(OC[C@@H]2C[C@@H]3OCC[C@@H]3N2)n[nH]1 2213786986 FLIPJWCWHOCONW-ACZMJKKPSA-N 238.251 -1.423 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)[C@H](N)[C@@H](O)O[C@H]1CO 307180085 NIHXQCSNUFIILL-QYESYBIKSA-N 204.186 -1.937 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1N 383696343 CJPGJQSANVQTHV-NYMZXIIRSA-N 218.213 -1.283 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 616582841 KSRDTSABQYNYMP-YDMGZANHSA-N 205.170 -1.903 10 10 BACE COC[C@H](N=[N+]=[N-])[C@H](O)[C@H](O)C(=O)CO 222679447 BZZMQXJBHUQYNC-JSKYLQRQSA-N 219.197 -1.405 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O 38523995 BFWPUXLMVHSPRI-GNFDWLABSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O 38917600 GPAOKXWKLOWJHO-ZYNSJIGGSA-N 219.197 -2.125 10 10 BACE [N-]=[N+]=N[C@H]1CO[C@](O)(CO)[C@@H](O)[C@@H]1O 141804074 PKWGGYMHQZGSBV-BGPJRJDNSA-N 205.170 -1.902 10 10 BACE in-vitro NC[C@@H](O)CNC(=O)c1cc(O)c(O)c(O)c1 2015075621 UOUVERBHEZYDMO-ZCFIWIBFSA-N 242.231 -1.147 10 10 BACE N=c1nnc(OCCN2CCNCC2=O)n[n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c2nnc(=N)[nH]n2)CN1 2210652054 QNQWJEBQHUBEML-PHDIDXHHSA-N 226.240 -1.565 10 10 BACE CO[C@@]1(COc2nnc(=N)[nH]n2)CCNC1 2210654830 ZYTIWUSGKHRBIM-QMMMGPOBSA-N 226.240 -1.564 10 10 BACE NC(=O)[C@H](O)CNC(=O)c1ccc(O)c(O)c1 228522295 HWSGCINEYXHJHB-MRVPVSSYSA-N 240.215 -1.326 10 10 BACE [N-]=[N+]=NCCO[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 308695177 QNXLFMLUXNXCPJ-BDVNFPICSA-N 219.197 -1.248 10 10 BACE CC(=O)C(=O)CSc1nc(=N)[nH]c(=N)[nH]1 379943622 CMQHAMXPTNCCGI-UHFFFAOYSA-N 227.249 -1.053 10 10 BACE C[C@H](O)C(=[N+]=N)C(=O)OC[C@H](N)C(=O)O 725391286 LPIWVQJPNOGGCL-IMJSIDKUSA-O 218.189 -1.998 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O 205721884 CMLRUUHRGSJVMD-RUTHBDMASA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](C(N)=O)[C@H](O)[C@@H](O)[C@H]1O 308677158 GSJJWMBAXYXOIM-ORRMXUGYSA-N 218.169 -2.410 10 10 BACE CO[C@@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H](O)[C@H]1O 383683886 ILJSIFPAYLYDDP-XUUWZHRGSA-N 219.197 -1.249 10 10 BACE C[C@H]1CNC[C@H](CCOc2nnc(=N)[nH]n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c2nnc(=N)[nH]n2)C1 2210652662 YSQHNFHYADSFTP-AENQLZEMSA-N 226.240 -1.436 10 10 BACE CO[C@@]1(COc2nnc(=N)[nH]n2)CCCNC1 2213788412 XBUCYXYHNTZYJD-VIFPVBQESA-N 240.267 -1.173 10 10 BACE COC(=O)[C@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H]1O 34552848 RUVRDQHMXBWCLJ-VANKVMQKSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=N[C@H](CCO)[C@H]1O[C@H](O)[C@H](O)[C@H]1O 394934482 JIVCPCOUEUHYBE-GKHCUFPYSA-N 219.197 -1.513 10 10 BACE COC[C@@]1(COc2nnc(=N)[nH]n2)CCNC1 2213789161 FPRPRZRGAXLTKM-SECBINFHSA-N 240.267 -1.316 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 169430137 CMLRUUHRGSJVMD-GNFDWLABSA-N 205.170 -1.903 10 10 BACE NCC1(O)CN(C(=O)c2cc(O)nc(O)c2)C1 1949091834 PEEIYJIXFNYDKO-UHFFFAOYSA-N 239.231 -1.362 10 10 BACE [N-]=[N+]=N[C@@H]1CO[C@](O)(CO)[C@H](O)[C@H]1O 22049444 PKWGGYMHQZGSBV-JGWLITMVSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1N 307467279 PHBNJBXFQMNJNC-QBFJYBIGSA-N 204.186 -1.937 10 10 BACE [N-]=[N+]=N[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 383698295 HFKUSYWEILNCQU-REJXVDBHSA-N 219.153 -1.811 10 10 BACE [N-]=[N+]=N[C@H]1CO[C@](O)(CO)[C@@H](O)[C@H]1O 1083803031 PKWGGYMHQZGSBV-OMMKOOBNSA-N 205.170 -1.902 10 10 BACE in-vitro [N-]=[N+]=N[C@@H]1C(=O)O[C@H]([C@@H](O)CO)[C@@H]1O 238714151 WPTGEMUDGDGUKP-QMKXCQHVSA-N 203.154 -1.695 10 10 BACE CC(=O)C(=O)[C@@]1(O)CS(=O)(=O)N(C)C1(C)C 1919349069 LKIUDRAQHGRZAX-VIFPVBQESA-N 249.288 -1.071 10 10 BACE N=c1nnc(OC[C@H]2CCC3(CNC3)O2)n[nH]1 2299822528 OGURYILJWJWPTC-ZCFIWIBFSA-N 238.251 -1.421 10 10 BACE C[C@]1(O)O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@@H]1O 308698323 UTTKAEFEQGCIPY-JAIWFUSLSA-N 219.197 -1.513 10 10 BACE CO[C@@H]1CNC[C@](O)(C(=O)C(C)=O)C1 1892749538 XLRROGWMNIKJCW-CBAPKCEASA-N 201.222 -1.116 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)CO[C@@H](C(=O)O)[C@@H]1O 238675818 GTQKCSBDEZPZLM-TXICZTDVSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=N[C@@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O 389469690 MYDRSEXSWRXBRS-OZRXBMAMSA-N 214.225 -1.164 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@]2([C@H](O)CO)C[C@@H]12 308691550 MAUVSWRVYZQANO-DPCUATEDSA-N 215.209 -1.240 10 10 BACE C[C@]12O[C@@H](N=[N+]=[N-])[C@H](O1)[C@@H](O)[C@H](O)[C@@H]2O 383695606 BAVQZCSCFAPWJE-ASIBIWDJSA-N 217.181 -1.149 10 10 BACE N=c1nnc(OC[C@@]2(CN)CCCO2)n[nH]1 2210650292 SSEVAWQDBPGNPM-QMMMGPOBSA-N 226.240 -1.434 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H]2OC(=O)[C@H](O)[C@H]2O[C@H]1O 238721016 LLKJNMKVLFMCPN-HGBWUSBXSA-N 201.138 -1.331 10 10 BACE CNC(=O)[C@@H]1O[C@H](O)[C@H](O)[C@@H]1N=[N+]=[N-] 307619983 HZMGQRSHCKOWAA-FXZYUFNSSA-N 202.170 -1.511 10 10 BACE [N-]=[N+]=N[C@]1(CO)O[C@H](CO)[C@H](O)[C@@H]1O 306231833 HZFDWRYAPZYZAY-DPYQTVNSSA-N 205.170 -1.902 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@@H]1N 308674486 CJPGJQSANVQTHV-VOQCIKJUSA-N 218.213 -1.283 10 10 BACE CC(=O)N[C@H]1[C@H](O)O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H]1O 2295076197 JBCJECOTKGFRTM-JAJWTYFOSA-N 246.223 -1.760 10 10 BACE C[C@@H](O)C(=[N+]=N)C(=O)OC[C@H](N)C(=O)O 725391285 LPIWVQJPNOGGCL-DMTCNVIQSA-O 218.189 -1.998 10 10 BACE CCOC1(COc2nnc(=N)[nH]n2)CNC1 2210643326 JDMJLGIBDYMFTH-UHFFFAOYSA-N 226.240 -1.564 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@]1(O)CO 306346871 CMTQRSIPJSBCGS-RDQKPOQOSA-N 205.170 -2.515 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)O[C@H](CO)[C@H]1O 379702859 YFOCLVFGJOTUSJ-MLKOFDEISA-N 219.197 -1.656 10 10 BACE [N-]=[N+]=NCCN1C[C@@H]2NC(=O)C(=O)N[C@H]2C1 1979508030 OYGNQEPBMCVFDT-WDSKDSINSA-N 224.224 -1.405 10 10 BACE COC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H]1N=[N+]=[N-] 383710032 YKXRSKFWXSEPDL-ZXXMMSQZSA-N 217.181 -1.041 10 10 BACE C[C@@H]1CNC[C@H](COc2nnc(=N)[nH]n2)O1 2210651369 HRTDEBNBJIJVFO-PHDIDXHHSA-N 226.240 -1.565 10 10 BACE [N-]=[N+]=N[C@H]1C[C@@H]([N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O 687750628 KXHPYQDMDALNMS-BSQWINAVSA-N 218.169 -1.203 10 10 BACE O=C(NC1(CO)COC1)c1cc(O)nc(O)c1 2015356741 AJBHPOWBNQXXPA-UHFFFAOYSA-N 240.215 -1.016 10 10 BACE N=c1nnc(OCCN2CCC[C@H](N)C2)n[nH]1 2213785594 OIKAUNWHXPOODQ-ZETCQYMHSA-N 239.283 -1.519 10 10 BACE [N-]=[N+]=NC[C@@H]1C[C@@H](O)[C@H](O)[C@](O)(CO)O1 138099182 AXKZFTWVMHVXCG-VZFHVOOUSA-N 219.197 -1.512 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](CO)O[C@H](O)[C@@H](N)[C@H]1O 307180087 NIHXQCSNUFIILL-YJRYQGEOSA-N 204.186 -1.937 10 10 BACE N[C@H](CO)CNC(=O)c1cc(O)c(O)c(O)c1 2015074481 HHYFUCKXDYLNKR-LURJTMIESA-N 242.231 -1.147 10 10 BACE COC[C@H](N=[N+]=[N-])[C@@H](O)[C@H](O)C(=O)CO 222679565 BZZMQXJBHUQYNC-UBKIQSJTSA-N 219.197 -1.405 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@H]1O 389462037 GPAOKXWKLOWJHO-PZRMXXKTSA-N 219.197 -2.125 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)O[C@@H](C(=O)O)[C@@H]1O 389462620 HGTUBKUXTHAQBD-ZGFJKJOTSA-N 219.153 -1.811 10 10 BACE C[C@H]1CNC[C@@H](CCOc2nnc(=N)[nH]n2)O1 2213780515 GXOHQTQVTHGOSB-NKWVEPMBSA-N 240.267 -1.175 10 10 BACE NC(=O)CNC(=O)c1cc(O)nc(O)c1 700621577 BRXOFLDLXPQHBQ-UHFFFAOYSA-N 211.177 -1.292 10 10 BACE CO[C@@]1(CO)O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 238383127 QTHDYNRZRJTMNP-JWXFUTCRSA-N 219.197 -1.248 10 10 BACE CO[C@H]1[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O 308693218 OHCXFSNECVRBKT-IVZITJRKSA-N 219.197 -1.863 10 10 BACE O=C(NCC[C@@H](O)CO)c1cc(O)nc(O)c1 2011139371 ORIGTESPPSZVGS-SSDOTTSWSA-N 242.231 -1.034 10 10 BACE O=C(NC[C@H](O)CO)c1cc(O)c(O)c(O)c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c1ccc(N)cc1 108261476 ICKCHPRDNYQTER-VIFPVBQESA-N 237.259 -1.226 10 10 BACE O=C1CC(=O)N(C[C@H](O)CS(=O)(=O)O)N1 238680747 DEXLLUSVFXAQOW-BYPYZUCNSA-N 238.221 -2.501 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)O[C@@H](CO)[C@H](O)[C@H]1O 616583619 URARQBMUQIRZQO-RUTHBDMASA-N 205.170 -1.903 10 10 BACE CC1(C)NCCO[C@@H]1COc1nnc(=N)[nH]n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c1nnc(OC[C@H]2CO[C@@H]3CNC[C@@H]32)n[nH]1 2298033472 QEBYVGPYWPJGAO-FSDSQADBSA-N 238.251 -1.708 10 10 BACE CO[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)C(=O)CO 143191513 VCSQQDPDWPCOPQ-QYNIQEEDSA-N 219.197 -1.405 10 10 BACE C[C@H](N=[N+]=[N-])[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O 308679313 KLPYUSGYVVBZFH-PJEQPVAWSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=NCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 1857777799 VGCOVRUENPCVTD-OMKQZNDVSA-N 249.223 -1.887 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]1O 306773501 UMVGRQGCOVIFLI-PQMKYFCFSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253532740 VGCOVRUENPCVTD-YOWKYNACSA-N 249.223 -1.887 10 10 BACE [N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 607695037 VGCOVRUENPCVTD-FMDGEEDCSA-N 249.223 -1.887 10 10 BACE O=C(c1cc(O)nc(O)c1)N(CCO)CCO 40751318 CYNKFMHBIWOCQR-UHFFFAOYSA-N 242.231 -1.080 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)CO[C@H](C(=O)O)[C@H]1O 306461899 GTQKCSBDEZPZLM-MBMOQRBOSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H]1O 306243294 NZYMIGLZTONBKI-AIECOIEWSA-N 205.170 -1.903 10 10 BACE CO[C@]1(CO)O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H]1O 308695206 QTHDYNRZRJTMNP-JRTVQGFMSA-N 219.197 -1.248 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]1O 200950228 UMVGRQGCOVIFLI-FPRJBGLDSA-N 205.170 -1.903 10 10 BACE CC(=O)C(=O)[C@@H](O)C[C@@H]1CNCCO1 1892807955 RIXIQKSNBYTCHJ-SFYZADRCSA-N 201.222 -1.116 10 10 BACE N=c1nnc(OC[C@@]23CNC[C@@H]2CCO3)n[nH]1 2217056650 AOUHBVJOAOCNRM-RCOVLWMOSA-N 238.251 -1.564 10 10 BACE CN1CCN(CCOc2nnc(=N)[nH]n2)CC1 2253319489 MYKYQKZYRKRRSN-UHFFFAOYSA-N 239.283 -1.695 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)[C@@H](N)[C@@H](O)O[C@H]1CO 307180083 NIHXQCSNUFIILL-KGJVWPDLSA-N 204.186 -1.937 10 10 BACE COC(=O)[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 238351035 RUVRDQHMXBWCLJ-ZXXMMSQZSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O 308699066 WBXNOAAHQIBSBE-CXNFULCWSA-N 219.197 -1.656 10 10 BACE C[C@H](O)[C@@H](CO)NC(=O)c1cc(O)nc(O)c1 2005857539 ZAPIMEJMKZAIGL-CAHLUQPWSA-N 242.231 -1.036 10 10 BACE N=c1nnc(OC[C@@H]2CO[C@H](CN)C2)n[n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c2nnc(=N)[nH]n2)CN1 2213787825 PGFPEZZZNZXRSZ-LURJTMIESA-N 240.267 -1.175 10 10 BACE CO[C@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H](O)[C@@H]1O 383699212 ILJSIFPAYLYDDP-VEIUFWFVSA-N 219.197 -1.249 10 10 BACE C[C@H](N=[N+]=[N-])[C@H](O)[C@H](O)[C@H](O)C(=O)CO 308672764 AKYSLGUVFAHRBW-OIADKPKDSA-N 219.197 -1.671 10 10 BACE NC[C@H](O)CNC(=O)c1cc(O)nc(O)c1 382483074 KCSDWUGMHLVJTH-LURJTMIESA-N 227.220 -1.458 10 10 BACE C[C@@H](N=[N+]=[N-])C(=O)N[C@H](CO)C(N)=O 238408945 LNNGPIAFPZCWMO-QWWZWVQMSA-N 201.186 -1.352 10 10 BACE CO[C@]1(COc2nnc(=N)[nH]n2)CCNC1 2210654829 ZYTIWUSGKHRBIM-MRVPVSSYSA-N 226.240 -1.564 10 10 BACE CC(=O)C(=O)[C@H](O)[C@@H]1CNCCOC1 1934040871 UXZAPZFFZXPFDD-VXNVDRBHSA-N 201.222 -1.259 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1OC(=O)[C@H](O)[C@H]1O 306474384 VTZRFVSIKYWZBV-AIHAYLRMSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@](O)(CO)[C@H]1O 307182393 UXYAEOPDPWNGIL-BXKVDMCESA-N 205.170 -1.902 10 10 BACE CO[C@H]1[C@H](O)[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@H]1O 389467492 KSYQAKZKZNBKKV-IVZITJRKSA-N 219.197 -1.863 10 10 BACE CC(=O)C(=O)[C@H](O)C[C@H]1CNCCO1 1892807954 RIXIQKSNBYTCHJ-JGVFFNPUSA-N 201.222 -1.116 10 10 BACE O=C(NCC[C@H](O)CO)c1cc(O)nc(O)c1 2011139372 ORIGTESPPSZVGS-ZETCQYMHSA-N 242.231 -1.034 10 10 BACE [N-]=[N+]=N[C@@H]1CO[C@](O)(CO)[C@@H](O)[C@H]1O 22049439 PKWGGYMHQZGSBV-DPYQTVNSSA-N 205.170 -1.902 10 10 BACE CC(=O)N[C@H]1[C@@H](O)O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 66097452 JBCJECOTKGFRTM-PVFLNQBWSA-N 246.223 -1.760 10 10 BACE CNC(=O)[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1N=[N+]=[N-] 238317375 HZMGQRSHCKOWAA-GGZMTGCPSA-N 202.170 -1.511 10 10 BACE [N-]=[N+]=NCCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253532739 VGCOVRUENPCVTD-RLMOJYMMSA-N 249.223 -1.887 10 10 BACE CN(C)NC=C1C(=O)N(C)C(=O)N(C)C1=O 59922815 YSRVGZJZIYSWFY-UHFFFAOYSA-N 226.236 -1.013 10 10 BACE N[C@H](C(=O)NCCO)c1ccc(O)c(O)c1O 83370070 FDFCQMISQCQNIW-ZETCQYMHSA-N 242.231 -1.088 10 10 BACE [N-]=[N+]=N[C@]12C(=O)O[C@H]([C@H](O)[C@@H]1O)[C@@H]2O 306673167 CGILELFMZVTEIU-BYVYFCENSA-N 201.138 -1.943 10 10 BACE CO[C@]1(CN=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O 308679856 KYIIPVNAQYMKKR-JRTVQGFMSA-N 219.197 -1.248 10 10 BACE CO[C@@H]1O[C@](OC)([C@@H](C)N)C(CO)=C1CO 381272070 VVLVJBUFPXZUTM-BDODKLCJSA-N 233.264 -1.040 10 10 BACE N=c1nnc(OCCO[C@@H]2CCOC2)n[nH]1 2210647783 SHQWEEZBMJLZDG-ZCFIWIBFSA-N 227.224 -1.137 10 10 BACE NC(=O)[C@H](O)CNCc1ccc(O)c(O)c1O 228592010 HQODJHIYEMRZAW-SSDOTTSWSA-N 242.231 -1.261 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O 65734447 BFWPUXLMVHSPRI-VFUOTHLCSA-N 205.170 -1.903 10 10 BACE in-vitro [N-]=[N+]=NC[C@@H](O)[C@H]1O[C@@H](O)[C@H](O)[C@H]1O 307116830 ZOQJQZIAMXOKIM-QZABAPFNSA-N 205.170 -1.903 10 10 BACE CNC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H]1N=[N+]=[N-] 307383877 HZMGQRSHCKOWAA-WQRQPLJSSA-N 202.170 -1.511 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O 307665458 BFWPUXLMVHSPRI-AIECOIEWSA-N 205.170 -1.903 10 10 BACE in-vitro CO[C@H]1O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H](O)[C@H]1O 383699217 ILJSIFPAYLYDDP-ZFYZTMLRSA-N 219.197 -1.249 10 10 BACE CCNCCOCCOc1nnc(=N)[nH]n1 2210651901 OOZQBLDZLWMGOS-UHFFFAOYSA-N 228.256 -1.316 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 139634132 MVNFSXZTTRLMJR-OZRXBMAMSA-N 214.225 -1.164 10 10 BACE C[C@@H](N=[N+]=[N-])[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O 238410315 KLPYUSGYVVBZFH-OVHBTUCOSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=N[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 83301339 KSRDTSABQYNYMP-PHYPRBDBSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC1(CO)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 307029575 MLFGJMWTGWQTDS-TXICZTDVSA-N 205.170 -2.515 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@H](O)CCN12 379701160 MVNFSXZTTRLMJR-UIAUGNHASA-N 214.225 -1.164 10 10 BACE N=c1nnc(OC[C@@H]2CNCCOC2)n[nH]1 2210648567 WYWOGWBUSPGFJU-ZCFIWIBFSA-N 226.240 -1.706 10 10 BACE CC(=O)C(=O)[C@@](C)(O)C1CS(=O)(=O)C1 1929245443 BSTXVTFTZVIUSB-QMMMGPOBSA-N 220.246 -1.060 10 10 BACE [N-]=[N+]=N[C@H]1C(=O)O[C@@H]2[C@@H](O)[C@@H](O)O[C@H]12 143657500 OCQFJJUBASRQJE-JEYAIUFBSA-N 201.138 -1.331 10 10 BACE C[C@@H]1COCCN1CCOc1nnc(=N)[nH]n1 2249139273 IUSLVCHIOTVWBR-SSDOTTSWSA-N 240.267 -1.221 10 10 BACE CN(C(=O)c1cc(O)nc(O)c1)C(CO)CO 383225748 BBDUMEPJPICYQN-UHFFFAOYSA-N 242.231 -1.082 10 10 BACE COC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1O 389479255 SQLPRNAOJMGTRT-RRNSMKEASA-N 219.197 -1.249 10 10 BACE CNC(=O)[C@@H]1O[C@H](O)[C@@H](O)[C@H]1N=[N+]=[N-] 307619991 HZMGQRSHCKOWAA-SWSWBPAJSA-N 202.170 -1.511 10 10 BACE N=c1nnc(OC[C@]2(CN)CCCO2)n[nH]1 2210650291 SSEVAWQDBPGNPM-MRVPVSSYSA-N 226.240 -1.434 10 10 BACE COC(=O)[C@@H](O)[C@H](O)[C@@H](CO)N=[N+]=[N-] 222062100 SDOFPKUQLNGNOB-WDCZJNDASA-N 205.170 -1.448 10 10 BACE N=c1nnc(OC[C@@H]2CO[C@@H]3CNC[C@@H]23)n[nH]1 2213781307 QEBYVGPYWPJGAO-LYFYHCNISA-N 238.251 -1.708 10 10 BACE Nc1nc(/N=[N+](\O)c2n[nH]c(N)n2)n[n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c1cc(O)nc(O)c1)[C@H](O)C(=O)O 1952606519 CHGJWGRIWZNGKC-RQJHMYQMSA-N 214.177 -1.062 10 10 BACE CO[C@]1(COc2nnc(=N)[nH]n2)CCCNC1 2213788411 XBUCYXYHNTZYJD-SECBINFHSA-N 240.267 -1.173 10 10 BACE O[C@H]([C@H](O)C(F)(F)F)[C@@H](O)[C@@H](O)C=S 5112678 HVTYWWCSHGVWID-FCAWWPLPSA-N 234.195 -1.008 10 10 BACE COCCNC(=O)C[C@H]1C(=O)NN(C)C1=O 169995597 ZNEHAINASACPMI-LURJTMIESA-N 229.236 -1.742 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O 197345219 SCEUDJRSQLNFKT-FSIIMWSLSA-N 205.170 -1.902 10 10 BACE N[C@@H](C(=O)O)[C@H](O)c1cc(O)nc(O)c1 1952450358 YXTGMCKDGJRPJZ-RNFRBKRXSA-N 214.177 -1.062 10 10 BACE [N-]=[N+]=N[C@@]12C[C@H](O)[C@@H](OC1=O)[C@H](O)[C@@H]2O 308699889 XKQLPUCGNPRHDX-GHQVIJFQSA-N 215.165 -1.553 10 10 BACE CO[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-] 379701141 ZSUYBRFJZLLZFI-ULQPCXBYSA-N 219.197 -1.249 10 10 BACE NC(=O)C(NCc1ccc(O)cc1O)C(N)=O 695289363 KJTYHNPKGXHWQS-UHFFFAOYSA-N 239.231 -1.473 10 10 BACE CO[C@@H]1[C@H](CO)O[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O 308672556 AEGBXGLNGCPDQR-CJZRUXIPSA-N 219.197 -1.249 10 10 BACE CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1N=[N+]=[N-] 383704543 QYZPIZZUWJKSTF-JAIWFUSLSA-N 219.197 -1.249 10 10 BACE O=C(c1cc(O)nc(O)c1)N1CC(O)(CO)C1 2004525102 CRAKKNPEXXNSPI-UHFFFAOYSA-N 240.215 -1.328 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 26829222 CYKRKWKDNIBUBF-NYMZXIIRSA-N 219.197 -1.861 10 10 BACE [N-]=[N+]=NC[C@]1(O)O[C@H](CO)[C@H](O)[C@H]1O 306388734 PDUIKNNLOXYBHC-MOJAZDJTSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=N[C@@H]1CN(CCO)[C@H](CO)[C@H]1O 308344821 NDLFPZZHBKXCRJ-QYNIQEEDSA-N 202.214 -1.305 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 58622410 CYKRKWKDNIBUBF-MLKOFDEISA-N 219.197 -1.861 10 10 BACE NC(=O)[C@H](O)CNC(=O)c1cccc(O)c1O 228505414 MFRXJOXWQUDMDH-SSDOTTSWSA-N 240.215 -1.326 10 10 BACE COC(=O)[C@H](O)[C@H](O)[C@H](CO)N=[N+]=[N-] 308373518 SDOFPKUQLNGNOB-VPENINKCSA-N 205.170 -1.448 10 10 BACE NC(=O)[C@@H](CO)NC(=O)Cc1ccc(N)cc1 108261477 ICKCHPRDNYQTER-SECBINFHSA-N 237.259 -1.226 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)O[C@@H]2[C@H](O)C(=O)O[C@@H]21 306807056 LLKJNMKVLFMCPN-APMUVNQYSA-N 201.138 -1.331 10 10 BACE N[C@@H]1COC[C@H]1NC(=O)c1cc(O)nc(O)c1 1944904195 CYYWGAOTTCIXKQ-RNFRBKRXSA-N 239.231 -1.051 10 10 BACE CC1(C)CO[C@@H](COc2nnc(=N)[nH]n2)CN1 2213787826 PGFPEZZZNZXRSZ-ZCFIWIBFSA-N 240.267 -1.175 10 10 BACE N=c1nnc(OC[C@@H](N)C[C@H]2CCOC2)n[n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c1cc(O)nc(O)c1 717349011 MXTYIFCVRMNKIZ-CAHLUQPWSA-N 242.231 -1.036 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O 307163621 ZOQJQZIAMXOKIM-GNFDWLABSA-N 205.170 -1.903 10 10 BACE CO[C@@H]1[C@H](CO)O[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O 308672565 AEGBXGLNGCPDQR-ZVPSTABDSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O 379700640 IINBSBYFLLXDKP-IBISWUOJSA-N 219.197 -1.861 10 10 BACE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@@H](O)CO 705073191 AYFUTGQFUVYAPA-FSPLSTOPSA-N 242.231 -1.036 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)[C@H](CCO)[C@@H](O)[C@H]1O 223137106 JREOTAAGPRYVQU-ZVPSTABDSA-N 203.198 -1.240 10 10 BACE COC(=O)[C@H]1O[C@@H](CN=[N+]=[N-])[C@H](O)[C@@H]1O 139839168 RUVRDQHMXBWCLJ-BXKVDMCESA-N 217.181 -1.041 10 10 BACE CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-] 616582599 CCZCDCDASZJFGK-UIAUGNHASA-N 246.223 -1.760 10 10 BACE [N-]=[N+]=N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 306919763 KSRDTSABQYNYMP-QYESYBIKSA-N 205.170 -1.903 10 10 BACE O=C(N[C@@H]1CNC[C@@H]1O)c1cc(O)nc(O)c1 699956965 RIKZKWRHZSGYBM-RQJHMYQMSA-N 239.231 -1.445 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H]([C@H](O)CO)OC(=O)[C@@H]1O 306855712 WFXHDJPHQYUSCY-TXICZTDVSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=N[C@@H]1CN(CCO)[C@H](CO)[C@@H]1O 308344820 NDLFPZZHBKXCRJ-FSDSQADBSA-N 202.214 -1.305 10 10 BACE N=c1nnc(OC[C@@H]2CO[C@H]3CNC[C@@H]23)n[nH]1 2213781306 QEBYVGPYWPJGAO-ACZMJKKPSA-N 238.251 -1.708 10 10 BACE [N-]=[N+]=N[C@@H]1CN2CC[C@H](O)[C@@H]2[C@H](O)[C@@H]1O 389469692 MYDRSEXSWRXBRS-UOLFYFMNSA-N 214.225 -1.164 10 10 BACE CC(=O)N[C@@H](CS(C)(=O)=O)C(=O)C(C)=O 1951494865 CHMNIXOIECGPQE-ZETCQYMHSA-N 235.261 -1.306 10 10 BACE N=c1nnc(OCCN2CCC[C@@H](N)C2)n[nH]1 2213785593 OIKAUNWHXPOODQ-SSDOTTSWSA-N 239.283 -1.519 10 10 BACE COC(=O)[C@@H]1OC[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O 308697684 UFPBWFDVPOXUSQ-UNTFVMJOSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=NCCN1C[C@H]2NC(=O)C(=O)N[C@@H]2C1 1979508029 OYGNQEPBMCVFDT-PHDIDXHHSA-N 224.224 -1.405 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O 17063819 CMLRUUHRGSJVMD-DGPNFKTASA-N 205.170 -1.903 10 10 BACE C[C@H](N=[N+]=[N-])[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O 238459571 KLPYUSGYVVBZFH-XUVCUMPTSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 308675420 CYKRKWKDNIBUBF-CXNFULCWSA-N 219.197 -1.861 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](N)[C@@H]1N=[N+]=[N-] 308674441 CFQQDJFWILAKAH-PFCGLBSHSA-N 218.213 -1.283 10 10 BACE C[C@@H]1CNC[C@@H](CCOc2nnc(=N)[nH]n2)O1 2213780516 GXOHQTQVTHGOSB-RNFRBKRXSA-N 240.267 -1.175 10 10 BACE C[C@@]1(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 34597600 KWOXOLNNYVWGDS-MREPKMFUSA-N 219.197 -2.127 10 10 BACE [N-]=[N+]=NC[C@H]1C[C@@H](O)[C@H](O)[C@@](O)(CO)O1 383695559 AXKZFTWVMHVXCG-MVIOUDGNSA-N 219.197 -1.512 10 10 BACE N[C@H](C(=O)O)[C@H](O)c1cc(O)nc(O)c1 1952450357 YXTGMCKDGJRPJZ-NKWVEPMBSA-N 214.177 -1.062 10 10 BACE [N-]=[N+]=NC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O 307012263 KTRSBMDLCXWFCL-JBFQYEFVSA-N 205.170 -2.517 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O 306835130 SCCUYVKSWGEZPQ-TXICZTDVSA-N 203.154 -1.695 10 10 BACE CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@@H](CO)[C@H](O)[C@@H]1O 200430038 CCZCDCDASZJFGK-BZCSJUTBSA-N 246.223 -1.760 10 10 BACE in-vitro C[C@@H](N=[N+]=[N-])[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 383700681 KLPYUSGYVVBZFH-BNWJMWRWSA-N 219.197 -1.513 10 10 BACE NC(=O)C(NCc1ccccc1O)C(N)=O 695265573 GFBLDXGJUASJOF-UHFFFAOYSA-N 223.232 -1.179 10 10 BACE CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](N)[C@@H]1O 383689150 TUINECOOWWLFTE-UOYQFSTFSA-N 218.213 -1.283 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@]1(O)C(=O)O 394942472 RTWKCBNVYSGJAR-WAXACMCWSA-N 219.153 -2.423 10 10 BACE CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 146461632 WUXIOHNNHKEPKP-BNWJMWRWSA-N 219.197 -1.249 10 10 BACE COC(=O)[C@H](O)[C@H](O)[C@@H](CO)N=[N+]=[N-] 222062049 SDOFPKUQLNGNOB-UOWFLXDJSA-N 205.170 -1.448 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO 238688465 DHCFCMVDOWDQHL-LFRDXLMFSA-N 205.170 -2.059 10 10 BACE in-vitro [N-]=[N+]=NC[C@H](O)[C@@H](O)C[C@H](O)C(=O)O 379340602 NSYVRCOUOUTFHE-YUPRTTJUSA-N 205.170 -1.146 10 10 BACE N=c1nnc(OC[C@@H](N)C[C@H]2CCCO2)n[nH]1 2213780468 GKPTWPFWBVNECT-NKWVEPMBSA-N 240.267 -1.046 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)O[C@@H]1[C@H](O)CO 307097485 FHVLMKULOQAFPX-PHYPRBDBSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NCCNC(=O)CN1C(=O)CNC1=O 701319065 ODDLVWRZLAISOI-UHFFFAOYSA-N 226.196 -1.035 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1O 306449690 BFWPUXLMVHSPRI-URLGYRAOSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1O 13526734 BFWPUXLMVHSPRI-GKFJPSPNSA-N 205.170 -1.903 10 10 BACE CO[C@H]1O[C@H]([C@H](O)CN=[N+]=[N-])[C@@H](O)[C@@H]1O 383702780 NZWMLTAQLPDVCH-PZRMXXKTSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=N[C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O 140793726 YMGPURNHTJGZBK-DBRKOABJSA-N 201.182 -1.320 10 10 BACE CO[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)C(=O)CO 143191905 VCSQQDPDWPCOPQ-FSDSQADBSA-N 219.197 -1.405 10 10 BACE CN1CCN[C@H](CCOc2nnc(=N)[nH]n2)C1 2213787951 QTELDOZUMMBLCD-SSDOTTSWSA-N 239.283 -1.648 10 10 BACE C[C@H](COc1nnc(=N)[nH]n1)N1CCOCC1 2213781215 PACBFHLBFFXXHQ-SSDOTTSWSA-N 240.267 -1.221 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@@]2(O)C(=O)O[C@H]([C@@H]2O)[C@@H]1O 389462764 HHNCMOVCTHOJJW-NRGGUMNKSA-N 215.165 -1.553 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO 308341035 BPWHMSFNUDJDKX-JGWLITMVSA-N 207.186 -2.267 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 5131985 BPWHMSFNUDJDKX-DPYQTVNSSA-N 207.186 -2.267 10 10 BACE N=c1nnc(OC[C@@H]2[C@H]3CCNC[C@H]32)n[nH]1 2210643966 MURQGOUVKHZAKO-RRKCRQDMSA-N 222.252 -1.087 10 10 BACE CC(=O)N[C@H]1[C@@H](N=[N+]=[N-])O[C@@H](CO)[C@H](O)[C@@H]1O 1073362405 CCZCDCDASZJFGK-YMVPXFTJSA-N 246.223 -1.760 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O 306808054 NZYMIGLZTONBKI-SXUWKVJYSA-N 205.170 -1.903 10 10 BACE COC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1N=[N+]=[N-] 238357632 YKXRSKFWXSEPDL-JGWLITMVSA-N 217.181 -1.041 10 10 BACE N=c1nnc(OC[C@@]23CNC[C@@H]2COC3)n[nH]1 2213803943 YXUHGNIBJFSKTB-MUWHJKNJSA-N 238.251 -1.706 10 10 BACE N=c1nnc(OC[C@@]23CNC[C@H]2CCO3)n[nH]1 2217056649 AOUHBVJOAOCNRM-MUWHJKNJSA-N 238.251 -1.564 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O 202663475 SCEUDJRSQLNFKT-KCDKBNATSA-N 205.170 -1.902 10 10 BACE C[C@H](N=[N+]=[N-])[C@H](O)[C@H](O)[C@@H](O)C(=O)CO 308672770 AKYSLGUVFAHRBW-RRNYIBRJSA-N 219.197 -1.671 10 10 BACE CO[C@@H]1O[C@@](OC)([C@@H](C)N)C(CO)=C1CO 381272071 VVLVJBUFPXZUTM-DRTBCBBWSA-N 233.264 -1.040 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@@](O)(CO)[C@@H]1O 238692088 UXYAEOPDPWNGIL-BGPJRJDNSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)O[C@@H](CO)[C@H](O)[C@H]1O 220579417 URARQBMUQIRZQO-GNFDWLABSA-N 205.170 -1.903 10 10 BACE NCC(CN)NC(=O)c1cc(O)c(O)c(O)c1 2015122193 IZPMTHPXOARMOJ-UHFFFAOYSA-N 241.247 -1.181 10 10 BACE C[C@]1(N=[N+]=[N-])[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1O 383682312 DVUZEDHLYOMNHJ-ZFYZTMLRSA-N 219.197 -1.513 10 10 BACE CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1N=[N+]=[N-] 1848432770 CCZCDCDASZJFGK-GWVFRZDISA-N 246.223 -1.760 10 10 BACE N=c1nnc(OCCCOC2CNC2)n[nH]1 2210646959 OOKWOUFQQXSQNX-UHFFFAOYSA-N 226.240 -1.564 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1O 200120638 QBFXJUQJKLBFTK-VFUOTHLCSA-N 204.186 -1.937 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@H](O)[C@@](O)(CO)[C@@H]1O 238692115 UXYAEOPDPWNGIL-ARQDHWQXSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@](O)(CO)[C@@H]1O 307182394 UXYAEOPDPWNGIL-FSIIMWSLSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=NC[C@H]1NC[C@@H]2O[C@@]1(O)[C@@H](O)[C@@H]2O 238721887 VSVONVFNMQUSBR-CXNFULCWSA-N 216.197 -1.922 10 10 BACE CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O 383684972 KSYQAKZKZNBKKV-NLZQRBTFSA-N 219.197 -1.863 10 10 BACE CC(C)(CN)OCCOc1nnc(=N)[nH]n1 2210649514 IZGKIHOKGGKPEG-UHFFFAOYSA-N 228.256 -1.188 10 10 BACE N[C@@H](C(=O)NCCO)c1ccc(O)c(O)c1O 83370071 FDFCQMISQCQNIW-SSDOTTSWSA-N 242.231 -1.088 10 10 BACE [N-]=[N+]=NC1(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O 307344078 MLFGJMWTGWQTDS-FCAWWPLPSA-N 205.170 -2.515 10 10 BACE CC(=O)C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO 102236176 AIWBNMWVDUSXLC-IXROVEORSA-N 221.209 -3.453 10 10 BACE [N-]=[N+]=N[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)CO 379340564 KFBQAFVPWSZEHI-KAZBKCHUSA-N 207.186 -2.267 10 10 BACE O=c1c2c(ccn1C[C@H](O)CO)CCNC2 1937993137 FUSRXZLJBFOBSL-VIFPVBQESA-N 224.260 -1.153 10 10 BACE NC[C@H](CO)NC(=O)c1cc(O)nc(O)c1 1985771122 CRTHSVFSQPKCLY-ZCFIWIBFSA-N 227.220 -1.458 10 10 BACE CO[C@@H]1[C@@H](CO)O[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O 383680674 AEGBXGLNGCPDQR-XUUWZHRGSA-N 219.197 -1.249 10 10 BACE C[C@@H](N=[N+]=[N-])[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 139038455 ASADBDJHGNAQHL-AMRQHQFISA-N 219.197 -1.515 10 10 BACE C[C@@H]1N[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O 306882898 JPCAXARYYRNWSU-CQOGJGKDSA-N 202.214 -1.260 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 306937203 KSRDTSABQYNYMP-QZABAPFNSA-N 205.170 -1.903 10 10 BACE N=c1nnc(OC[C@@H]2C[C@@H]3COC[C@@H]3N2)n[nH]1 2213780968 MKUCVSGCAXDOCS-VQVTYTSYSA-N 238.251 -1.565 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H]([C@H](O)CO)O[C@@H](O)[C@H]1O 307225991 FHVLMKULOQAFPX-VFUOTHLCSA-N 205.170 -1.903 10 10 BACE C[C@H](N=[N+]=[N-])C(=O)N[C@H](CO)C(N)=O 238458559 LNNGPIAFPZCWMO-IUYQGCFVSA-N 201.186 -1.352 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@H]1O[C@H](O)[C@H](O)[C@@H]1O 307665459 BFWPUXLMVHSPRI-RXRWUWDJSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O 77271996 LHNGMVUPXLPGAZ-ORRMXUGYSA-N 219.153 -1.811 10 10 BACE in-vitro [N-]=[N+]=NCCNC1(C(N)=O)CS(=O)(=O)C1 1912185622 SJQMNBYAXPUWNS-UHFFFAOYSA-N 233.253 -1.461 10 10 BACE Cn1ccc([C@@]2(CN)COC[C@@H]2O)cc1=O 1987383479 ZJEQHTJMQBRPMW-GXSJLCMTSA-N 224.260 -1.027 10 10 BACE N=c1nnc(OCCO[C@H]2CCNC2)n[nH]1 2210651170 DWUQTWBGHNWDJO-LURJTMIESA-N 226.240 -1.564 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@H]1OC(=O)[C@@H](O)[C@H]1O 306837306 VTZRFVSIKYWZBV-SKNVOMKLSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)O[C@@H](CO)[C@H](O)[C@@H]1O 200334605 URARQBMUQIRZQO-DSOBHZJASA-N 205.170 -1.903 10 10 BACE in-vitro CC[C@]1(COc2nnc(=N)[nH]n2)COCCN1 2213789569 JRRAXYMBBAPBNC-SECBINFHSA-N 240.267 -1.173 10 10 BACE O=c1c2c(ccn1C[C@@H](O)CO)CCNC2 1937993136 FUSRXZLJBFOBSL-SECBINFHSA-N 224.260 -1.153 10 10 BACE OCC(CO)(CO)NCc1cccc(O)c1O 236497332 AVVQIIUYZIXJGH-UHFFFAOYSA-N 243.259 -1.097 10 10 BACE [N-]=[N+]=N[C@@]12C[C@H](O)[C@@H](OC1=O)[C@@H](O)[C@H]2O 308699888 XKQLPUCGNPRHDX-CTRAUPHBSA-N 215.165 -1.553 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)C[C@](O)(CO)[C@@H]1O 379700088 IERPJTIHGXJFPZ-GKHCUFPYSA-N 219.197 -2.125 10 10 BACE COC(=O)[C@@H]1OC[C@@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 383689543 UFPBWFDVPOXUSQ-KVTDHHQDSA-N 217.181 -1.041 10 10 BACE N=c1nnc(OCC2(N)CCOCC2)n[nH]1 2210650036 PMYFXXGKKYMVQN-UHFFFAOYSA-N 226.240 -1.434 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](CO)O[C@H](O)[C@H](N)[C@H]1O 307180081 NIHXQCSNUFIILL-BSQWINAVSA-N 204.186 -1.937 10 10 BACE N=c1nnc(OC[C@H]2CC[C@@H](CN)OC2)n[nH]1 2246531980 JWPWDLNLKCVOLI-BQBZGAKWSA-N 240.267 -1.188 10 10 BACE NC[C@@H](O)CNC(=O)c1cc(O)nc(O)c1 382483075 KCSDWUGMHLVJTH-ZCFIWIBFSA-N 227.220 -1.458 10 10 BACE C[C@@]1(O)[C@@H](O)[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@H]1O 308690701 KWOXOLNNYVWGDS-NLZQRBTFSA-N 219.197 -2.127 10 10 BACE O=C(NCC[C@@H](O)CO)c1cc(O)nc(O)c1 2011155791 ORIGTESPPSZVGS-SSDOTTSWSA-N 242.231 -1.034 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@@H]1O[C@H](O)[C@H](O)[C@H]1O 105428950 BFWPUXLMVHSPRI-KGJVWPDLSA-N 205.170 -1.903 10 10 BACE in-vitro COC(=O)[C@]1(O)CO[C@H](CN=[N+]=[N-])[C@@H]1O 238800872 AHEJLOODLMPSGZ-ZDLURKLDSA-N 217.181 -1.040 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@@]2(O)C(=O)O[C@@H]([C@@H]1O)[C@H]2O 389462743 HHNCMOVCTHOJJW-IQKRMLQVSA-N 215.165 -1.553 10 10 BACE N=c1nnc(OC[C@@H]2C[C@H]3CNC[C@@H]32)n[nH]1 2210645182 GDTILRBQTGZBRA-ACZMJKKPSA-N 222.252 -1.087 10 10 BACE N=c1nnc(OC[C@@H]2C[C@@H]3COC[C@H]3N2)n[nH]1 2213780966 MKUCVSGCAXDOCS-DSYKOEDSSA-N 238.251 -1.565 10 10 BACE [N-]=[N+]=N[C@@H]1CO[C@](O)(CO)[C@@H](O)[C@@H]1O 38221098 PKWGGYMHQZGSBV-ARQDHWQXSA-N 205.170 -1.902 10 10 BACE in-vitro [N-]=[N+]=NC[C@H](F)[C@H](O)[C@H](O)C(=O)CO 210344171 QEYIQRLJXHBAIG-ZXEDONINSA-N 207.161 -1.082 10 10 BACE C[C@]1(O)O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1O 308698325 UTTKAEFEQGCIPY-PZRMXXKTSA-N 219.197 -1.513 10 10 BACE CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 383688203 QYZPIZZUWJKSTF-ZFYZTMLRSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NC[C@]1(O)[C@@H](CO)O[C@H](O)[C@@H]1O 238662489 VAKYYWVYLBFCKH-VANKVMQKSA-N 205.170 -1.902 10 10 BACE N=c1nnc(OC[C@@H]2CC[C@@H](CN)OC2)n[nH]1 2246531983 JWPWDLNLKCVOLI-RQJHMYQMSA-N 240.267 -1.188 10 10 BACE O=C(N[C@H](CO)C(=O)O)c1cc(O)nc(O)c1 19514499 SLRZIAXBZZDRIM-RXMQYKEDSA-N 242.187 -1.332 10 10 BACE COC[C@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)C(=O)CO 238367846 BZZMQXJBHUQYNC-JHYUDYDFSA-N 219.197 -1.405 10 10 BACE [N-]=[N+]=NCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 306254083 TXKZALZUBRWHRY-AXMZGBSTSA-N 201.182 -1.320 10 10 BACE CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 139479467 JBCJECOTKGFRTM-TXXZRHAASA-N 246.223 -1.760 10 10 BACE CN1CCNC[C@@H]1COc1nnc(=N)[nH]n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c1cc(O)nc(O)c1)N1C[C@@H](O)[C@H](O)C1 236522966 AUFSHMJTCHVBNS-RNFRBKRXSA-N 240.215 -1.330 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)CO[C@@H](C(=O)O)[C@H]1O 306461900 GTQKCSBDEZPZLM-SQOUGZDYSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O 306449688 BFWPUXLMVHSPRI-PQMKYFCFSA-N 205.170 -1.903 10 10 BACE COC(=O)[C@]1(O)CO[C@@H](CN=[N+]=[N-])[C@H]1O 385921071 AHEJLOODLMPSGZ-BFHQHQDPSA-N 217.181 -1.040 10 10 BACE C[C@@H](O)[C@H](O)CNC(=O)c1cc(O)nc(O)c1 717349013 MXTYIFCVRMNKIZ-IYSWYEEDSA-N 242.231 -1.036 10 10 BACE [N-]=[N+]=N[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@@H]1O 140793188 YMGPURNHTJGZBK-UCROKIRRSA-N 201.182 -1.320 10 10 BACE CC(=O)C(=O)COC(=O)CN1CCOCC1=O 808545554 FHYNRXGVUXEGEJ-UHFFFAOYSA-N 243.215 -1.454 10 10 BACE CC1(C)CNC[C@@H](COc2nnc(=N)[nH]n2)O1 2213780168 BRNCQQYSMZZWAD-LURJTMIESA-N 240.267 -1.175 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1O 605692357 BFWPUXLMVHSPRI-RUTHBDMASA-N 205.170 -1.903 10 10 BACE N=c1nnc(OCc2ncoc2CN)n[nH]1 2210647040 PDUMIRAAVYFBTM-UHFFFAOYSA-N 223.196 -1.295 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O 307413723 SCCUYVKSWGEZPQ-NRXMZTRTSA-N 203.154 -1.695 10 10 BACE C[C@@]1(COc2nnc(=N)[nH]n2)COCCO1 2211981591 ZYNSWLIBSGCHQT-QMMMGPOBSA-N 227.224 -1.137 10 10 BACE C[C@@]1(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 214469790 KWOXOLNNYVWGDS-OUWUUWRDSA-N 219.197 -2.127 10 10 BACE CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H](N)[C@H]1O 308697590 TUINECOOWWLFTE-XUUWZHRGSA-N 218.213 -1.283 10 10 BACE N=c1nnc(OC[C@]23CNC[C@@H]2CCO3)n[nH]1 2217056648 AOUHBVJOAOCNRM-IMTBSYHQSA-N 238.251 -1.564 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O 307468835 SCCUYVKSWGEZPQ-KLVWXMOXSA-N 203.154 -1.695 10 10 BACE C[C@@]1(N=[N+]=[N-])[C@H](O)[C@H](CO)O[C@@H](O)[C@H]1O 379700354 DVUZEDHLYOMNHJ-CQOGJGKDSA-N 219.197 -1.513 10 10 BACE N=c1nnc(OCC[C@H]2COCCN2)n[nH]1 2210654608 WWACYONRJBGYBQ-LURJTMIESA-N 226.240 -1.564 10 10 BACE OCC(CO)(CO)NCc1ccc(O)c(O)c1 236496997 BWPNVMNITMQITO-UHFFFAOYSA-N 243.259 -1.097 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N 307634239 PHBNJBXFQMNJNC-QZABAPFNSA-N 204.186 -1.937 10 10 BACE CO[C@H]1CN[C@@H](COc2nnc(=N)[nH]n2)C1 2210651469 JASWPVMSWPKUOY-PHDIDXHHSA-N 226.240 -1.565 10 10 BACE N=c1nnc(OCC2COCCOC2)n[nH]1 2210642994 FJLZNDKRYXAKQR-UHFFFAOYSA-N 227.224 -1.279 10 10 BACE N=c1nnc(OCC[C@@H]2CNCCO2)n[nH]1 2210646296 YTWWBFWDPXKWOZ-ZCFIWIBFSA-N 226.240 -1.564 10 10 BACE N=c1nnc(OCc2nnc(CN)s2)n[nH]1 2210649861 NDKVFRLAQUEGIQ-UHFFFAOYSA-N 240.252 -1.432 10 10 BACE NC(=O)C(NCc1ccc(O)c(O)c1)C(N)=O 695290264 UZNJDWVSTUMECZ-UHFFFAOYSA-N 239.231 -1.473 10 10 BACE NC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)COC1 1961870808 NIWUSXKGVZTBFT-LJGSYFOKSA-N 212.249 -1.020 10 10 BACE C[C@H]1CNC[C@H](COc2nnc(=N)[nH]n2)O1 2210651368 HRTDEBNBJIJVFO-NTSWFWBYSA-N 226.240 -1.565 10 10 BACE N=c1nnc(OC[C@@H]2CC[C@H](CN)OC2)n[nH]1 2246531982 JWPWDLNLKCVOLI-RNFRBKRXSA-N 240.267 -1.188 10 10 BACE NC(CO)(CO)C(=O)NCc1ccccc1O 2303914137 KRMOKUDBODJRBL-UHFFFAOYSA-N 240.259 -1.310 10 10 BACE CO[C@]1(CO)O[C@H](CN=[N+]=[N-])[C@H](O)[C@H]1O 308695208 QTHDYNRZRJTMNP-XZBKPIIZSA-N 219.197 -1.248 10 10 BACE N=c1nnc(OC[C@H]2CO[C@H](CN)C2)n[nH]1 2210647338 PFSSOQYCWXAHKL-RITPCOANSA-N 226.240 -1.578 10 10 BACE [N-]=[N+]=N[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO 379340565 KFBQAFVPWSZEHI-KVTDHHQDSA-N 207.186 -2.267 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H]2C[C@@H](NC(=O)N2)[C@H]1O 383700530 JZNKWADLCYSHIO-FPRJBGLDSA-N 213.197 -1.159 10 10 BACE C[C@H](N=[N+]=[N-])[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 383684403 KLPYUSGYVVBZFH-CXNFULCWSA-N 219.197 -1.513 10 10 BACE N=c1nnc(OCC23COC(CN)(C2)C3)n[nH]1 2213784570 CUAFVHRYGFXQPI-UHFFFAOYSA-N 238.251 -1.434 10 10 BACE NC(=O)[C@@H](O)CNC(=O)Cc1ccc(N)cc1 228476986 JDTPRKJGWLUYIP-VIFPVBQESA-N 237.259 -1.226 10 10 BACE CN1C[C@](NCCN=[N+]=[N-])(C(N)=O)CC1=O 1987943659 LHNWGRUIRYXIIY-QMMMGPOBSA-N 226.240 -1.028 10 10 BACE N=c1nnc(OCCCO[C@H]2CCNC2)n[nH]1 2213780922 LONKTLOPTGSHRD-ZETCQYMHSA-N 240.267 -1.173 10 10 BACE [N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 242688115 VGCOVRUENPCVTD-OZRXBMAMSA-N 249.223 -1.887 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)CO[C@H](C(=O)O)[C@@H]1O 306461897 GTQKCSBDEZPZLM-AIHAYLRMSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@]2([C@@H](O)CO)C[C@@H]12 308691551 MAUVSWRVYZQANO-KVHXAGQOSA-N 215.209 -1.240 10 10 BACE [N-]=[N+]=NCCNS(=O)(=O)N1CC(O)C1 1912207248 WGVLOVVELDJRRH-UHFFFAOYSA-N 221.242 -1.192 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1OC(=O)[C@@H](O)[C@H]1O 306474386 VTZRFVSIKYWZBV-MBMOQRBOSA-N 203.154 -1.695 10 10 BACE N=c1nnc(OCCCN2CCOCC2)n[nH]1 2213784364 ARYIWIXFPFRERS-UHFFFAOYSA-N 240.267 -1.220 10 10 BACE O=C1CC(=O)N(CCCS(=O)(=O)O)N1 238714507 JOANAEBUCARPNM-UHFFFAOYSA-N 222.222 -1.472 10 10 BACE CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-] 379701139 ZSUYBRFJZLLZFI-PFCGLBSHSA-N 219.197 -1.249 10 10 BACE CO[C@@H]1CNC[C@@](O)(C(=O)C(C)=O)C1 1892749539 XLRROGWMNIKJCW-IONNQARKSA-N 201.222 -1.116 10 10 BACE O=C(N[C@@H]1COC[C@@H]1O)c1cc(O)nc(O)c1 323613371 UBZNFLSIQWNPHN-RQJHMYQMSA-N 240.215 -1.018 10 10 BACE N=c1nnc(OC[C@@]23CC[C@@](N)(CO2)C3)n[nH]1 2213782272 CAZFHJMCKUQBHH-IUCAKERBSA-N 238.251 -1.292 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)O[C@H](CO)[C@@H]1O 39284015 KFJSKWBEWBTBDI-QBFJYBIGSA-N 205.170 -1.903 10 10 BACE COC1CC(N)(COc2nnc(=N)[nH]n2)C1 2210652663 YSQHNFHYADSFTP-UHFFFAOYSA-N 226.240 -1.436 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1N 167121239 PHBNJBXFQMNJNC-FPRJBGLDSA-N 204.186 -1.937 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@]1(O)CO 306346870 CMTQRSIPJSBCGS-FDROIEKHSA-N 205.170 -2.515 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 5372101 CMLRUUHRGSJVMD-BYIBVSMXSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)C(=O)O[C@H]1[C@H](O)CO 306855711 WFXHDJPHQYUSCY-LECHCGJUSA-N 203.154 -1.695 10 10 BACE N[C@H]1COC[C@H]1NC(=O)c1cc(O)nc(O)c1 1944904194 CYYWGAOTTCIXKQ-NKWVEPMBSA-N 239.231 -1.051 10 10 BACE [N-]=[N+]=N[C@@H]1CN(CCO)[C@@H](CO)[C@@H]1O 238697669 NDLFPZZHBKXCRJ-DSYKOEDSSA-N 202.214 -1.305 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@@H](O)[C@@H](O)C(=O)CO 238704555 WQFVGJJQAVTZMQ-LFRDXLMFSA-N 205.170 -2.059 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O 389443925 LHNGMVUPXLPGAZ-SYJWYVCOSA-N 219.153 -1.811 10 10 BACE CN1NC(=O)[C@H](CC(=O)NC2CC2)C1=O 169995550 NNHJZULHZQMQPI-LURJTMIESA-N 211.221 -1.226 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O 307005499 KFJSKWBEWBTBDI-UKFBFLRUSA-N 205.170 -1.903 10 10 BACE N=c1nnc(OCC[C@H]2CNCCO2)n[nH]1 2210646295 YTWWBFWDPXKWOZ-LURJTMIESA-N 226.240 -1.564 10 10 BACE N=c1nnc(OCCCO[C@@H]2CCNC2)n[nH]1 2213780921 LONKTLOPTGSHRD-SSDOTTSWSA-N 240.267 -1.173 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O 306645323 NZYMIGLZTONBKI-DGPNFKTASA-N 205.170 -1.903 10 10 BACE NC(=O)C1(N)CN(C(=O)Cc2ccc(N)cc2)C1 2071672796 ITVWENBSWHXPKZ-UHFFFAOYSA-N 248.286 -1.164 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)[C@H](C(=O)O)O[C@H]1O 1848432794 LHNGMVUPXLPGAZ-PTPXTALPSA-N 219.153 -1.811 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O 5131888 CMLRUUHRGSJVMD-UKFBFLRUSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NCCN1C[C@H](O)[C@H](O)[C@@H]1CO 1877846636 VVYISVFQEIOJKG-LYFYHCNISA-N 202.214 -1.305 10 10 BACE NC[C@@H](CO)NC(=O)c1cc(O)nc(O)c1 1985771121 CRTHSVFSQPKCLY-LURJTMIESA-N 227.220 -1.458 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O 308689181 ILJSIFPAYLYDDP-IBISWUOJSA-N 219.197 -1.249 10 10 BACE CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 196240815 WUXIOHNNHKEPKP-GKHCUFPYSA-N 219.197 -1.249 10 10 BACE CC(=O)C(=O)[C@@H](O)[C@H]1CNCCOC1 1934040869 UXZAPZFFZXPFDD-CBAPKCEASA-N 201.222 -1.259 10 10 BACE CO[C@H](CN)COc1nnc(=N)[nH]n1 2242450264 CAXQANAIGWUMCM-SCSAIBSYSA-N 200.202 -1.968 10 10 BACE N=c1nnc(OC[C@@]23CCO[C@@H]2CNC3)n[nH]1 2253347819 MOSVFFKWPLEMNZ-MUWHJKNJSA-N 238.251 -1.564 10 10 BACE [N-]=[N+]=N[C@H](CCO)[C@@H]1O[C@H](O)[C@H](O)[C@H]1O 389442134 JIVCPCOUEUHYBE-OVHBTUCOSA-N 219.197 -1.513 10 10 BACE NC[C@H](O)C(=O)NCc1ccc(O)c(O)c1O 83370069 IHHFBUKFQBJHPB-ZETCQYMHSA-N 242.231 -1.261 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O 238701315 VTZRFVSIKYWZBV-STGXQOJASA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@H]([N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O 687760219 KXHPYQDMDALNMS-RDQKPOQOSA-N 218.169 -1.203 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)O[C@@H](CO)[C@H](O)[C@@H]1O 306904624 URARQBMUQIRZQO-XKTQNOIPSA-N 205.170 -1.903 10 10 BACE N=c1nnc(OCCO[C@@H]2CCNC2)n[n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c1cc(O)nc(O)c1 2010536811 IUKHVEDPXIIGSM-SNVBAGLBSA-N 241.247 -1.068 10 10 BACE CN1C(=O)NC(=O)C(=CNNCCO)C1=O 2296004748 SHTABTZIDWMDGN-UHFFFAOYSA-N 228.208 -2.335 10 10 BACE [N-]=[N+]=NCCN1C[C@H](O)[C@H](O)[C@H]1CO 1877846635 VVYISVFQEIOJKG-DSYKOEDSSA-N 202.214 -1.305 10 10 BACE C[C@]1(N=[N+]=[N-])[C@H](O)[C@H](O)O[C@H](CO)[C@H]1O 379700356 DVUZEDHLYOMNHJ-NYMZXIIRSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=NC[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O 308699068 WBXNOAAHQIBSBE-PJEQPVAWSA-N 219.197 -1.656 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@H]1O[C@H](O)[C@H](O)[C@H]1O 136296499 BFWPUXLMVHSPRI-UKFBFLRUSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O 5131887 CMLRUUHRGSJVMD-TVIMKVIFSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H]2C[C@@](O)(C(=O)O2)[C@H]1O 389496057 YLSGIYCTBWRKPB-PUKYJHRVSA-N 215.165 -1.553 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@H](CO)O[C@@H](O)[C@H]1O 39284017 KFJSKWBEWBTBDI-MDMQIMBFSA-N 205.170 -1.903 10 10 BACE CC(=O)C(=O)[C@H](N)[C@H](O)[C@@H](O)[C@H](O)CO 308813300 AIWBNMWVDUSXLC-ZILMGAKASA-N 221.209 -3.453 10 10 BACE CO[C@]1(CN=[N+]=[N-])O[C@H](CO)[C@@H](O)[C@@H]1O 238417323 KYIIPVNAQYMKKR-MVIOUDGNSA-N 219.197 -1.248 10 10 BACE NC(=O)[C@@H]1C(=O)NCCN1c1ccc(CO)cc1 2064211729 OBRCHVQQXZYALC-SNVBAGLBSA-N 249.270 -1.031 10 10 BACE N=c1nnc(OC[C@@H]2[C@@H]3CCNC[C@H]32)n[nH]1 2210643963 MURQGOUVKHZAKO-FSDSQADBSA-N 222.252 -1.087 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)O[C@H](CO)[C@H]1O 38523996 KFJSKWBEWBTBDI-FDROIEKHSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](N)[C@@H](CCO)[C@@H](O)[C@@H]1O 139432206 OTNAWLIPVYLCBF-XUUWZHRGSA-N 202.214 -1.273 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O 197144324 SCCUYVKSWGEZPQ-SQOUGZDYSA-N 203.154 -1.695 10 10 BACE N=c1nnc(OCc2nnn3c2CCC3)n[nH]1 2301143358 TVKZUCRXJDRYGC-UHFFFAOYSA-N 234.223 -1.204 10 10 BACE CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](N=[N+]=[N-])[C@H]1O 383690560 WUXIOHNNHKEPKP-IECVIRLLSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@]1(O)C(=O)O 389490729 RTWKCBNVYSGJAR-TVSWGBMESA-N 219.153 -2.423 10 10 BACE N=c1nnc(OC[C@H]2CNC3(CC3)CO2)n[nH]1 2213781460 SKTDRSHUNKVVHD-ZCFIWIBFSA-N 238.251 -1.421 10 10 BACE CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1N=[N+]=[N-] 394934764 QYZPIZZUWJKSTF-OVHBTUCOSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 238721368 ZSXNUSZQWIFMSA-NYMZXIIRSA-N 203.198 -1.240 10 10 BACE NC1(CNC(=O)c2cc(O)nc(O)c2)COC1 1946137039 RVATWUKLBHFUDP-UHFFFAOYSA-N 239.231 -1.050 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 205721959 CMLRUUHRGSJVMD-DSOBHZJASA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC[C@@H]1OC(=O)[C@](O)(CO)[C@H]1O 307637286 WOYHQZCJLAQMAD-FKZODXBYSA-N 203.154 -1.694 10 10 BACE [N-]=[N+]=N[C@@]12C(=O)O[C@@H]([C@H]1O)[C@H](O)[C@@H]2O 306624531 CGILELFMZVTEIU-ZGFJKJOTSA-N 201.138 -1.943 10 10 BACE Cn1nnc([C@H](NCCN=[N+]=[N-])C(N)=O)n1 700291524 JMMQWVMBBMHQBU-SCSAIBSYSA-N 225.216 -1.364 10 10 BACE [N-]=[N+]=NC1CN(S(=O)(=O)N2CC(O)C2)C1 1912193796 QNLVEWBXWYQWTA-UHFFFAOYSA-N 233.253 -1.098 10 10 BACE [N-]=[N+]=NCCO[C@]1(CO)OC[C@@H](O)[C@H](O)[C@@H]1O 616583543 TXIWDMGGRBUWOQ-VGRMVHKJSA-N 249.223 -1.885 10 10 BACE CC(=O)C(=O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 13513777 WBJZXBUVECZHCE-BYPYZUCNSA-N 237.219 -1.284 10 10 BACE endogenous,in-man CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H]1O 255969249 DITZTAYZVSZBCC-IECVIRLLSA-N 219.197 -1.249 10 10 BACE NC(=O)C(NCc1ccc(F)cc1O)C(N)=O 2024893095 RQAKCNBAUQNTFX-UHFFFAOYSA-N 241.222 -1.040 10 10 BACE CO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](O)[C@@H]1O 383696962 DITZTAYZVSZBCC-JAIWFUSLSA-N 219.197 -1.249 10 10 BACE NC(=O)CONC(=O)c1cc(O)c(O)c(O)c1 2015119103 HAZVRQGOQLLBMG-UHFFFAOYSA-N 242.187 -1.050 10 10 BACE [N-]=[N+]=NC[C@@H]1OC(=O)[C@H](O)[C@@H](O)[C@H]1O 306168714 CNIBMDJYYWDSJO-NEEWWZBLSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 307173149 CMLRUUHRGSJVMD-QYESYBIKSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O)[C@@H]1O 383683135 HGTUBKUXTHAQBD-QIUUJYRFSA-N 219.153 -1.811 10 10 BACE CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CN=[N+]=[N-])O[C@H]1O 616582536 JBCJECOTKGFRTM-DMHSOCPYSA-N 246.223 -1.760 10 10 BACE N=c1nnc(OC[C@@H]2C[C@H]3COC[C@H]3N2)n[nH]1 2213780967 MKUCVSGCAXDOCS-LYFYHCNISA-N 238.251 -1.565 10 10 BACE COC[C@@](C)(CN)COc1nnc(=N)[nH]n1 2210647016 OXAXTFIXIQYLDQ-MRVPVSSYSA-N 228.256 -1.331 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]1O 307005503 KFJSKWBEWBTBDI-VFUOTHLCSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1O[C@H](O)[C@H](O)[C@H]1O 77271965 BFWPUXLMVHSPRI-TVIMKVIFSA-N 205.170 -1.903 10 10 BACE in-vitro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c1nnc(=N)[nH]n1 2210654122 QPQMZDZMLUXDJC-LURJTMIESA-N 225.256 -2.038 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H]2C[C@@H](NC(=O)N2)[C@H]1O 379700194 JZNKWADLCYSHIO-DGPNFKTASA-N 213.197 -1.159 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO 299888858 BPWHMSFNUDJDKX-FSIIMWSLSA-N 207.186 -2.267 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](N)[C@H](CCO)[C@H](O)[C@@H]1O 307337105 OTNAWLIPVYLCBF-CXNFULCWSA-N 202.214 -1.273 10 10 BACE C[C@@]1(COc2nnc(=N)[nH]n2)CNCCOC1 2213788162 UFPNKECMHIQNBZ-SECBINFHSA-N 240.267 -1.316 10 10 BACE O=C(N[C@H]1CNC[C@H]1O)c1cc(O)nc(O)c1 699956962 RIKZKWRHZSGYBM-NKWVEPMBSA-N 239.231 -1.445 10 10 BACE O=C(N[C@@H]1CNC[C@H]1O)c1cc(O)nc(O)c1 699900248 RIKZKWRHZSGYBM-RNFRBKRXSA-N 239.231 -1.445 10 10 BACE OCC(O)(CO)CNCc1cccc(O)c1O 1913786388 LDTVSZBTDJARDI-UHFFFAOYSA-N 243.259 -1.097 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O 17063815 CMLRUUHRGSJVMD-SXUWKVJYSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](N)[C@H](CCO)[C@@H](O)[C@@H]1O 307337103 OTNAWLIPVYLCBF-CQOGJGKDSA-N 202.214 -1.273 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O 238681538 SCCUYVKSWGEZPQ-FCAWWPLPSA-N 203.154 -1.695 10 10 BACE N=c1nnc(OCCO[C@H]2CCCNC2)n[nH]1 2213787299 JCLBUFTVIGKRMQ-ZETCQYMHSA-N 240.267 -1.173 10 10 BACE CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 38284030 QYZPIZZUWJKSTF-GKHCUFPYSA-N 219.197 -1.249 10 10 BACE COC[C@@H](N=[N+]=[N-])[C@H]1O[C@@H](O)[C@H](O)[C@H]1O 383689066 SQLPRNAOJMGTRT-NYMZXIIRSA-N 219.197 -1.249 10 10 BACE COC(=O)[C@@]1(O)CO[C@H](CN=[N+]=[N-])[C@H]1O 383695450 AHEJLOODLMPSGZ-WYDQCIBASA-N 217.181 -1.040 10 10 BACE N=c1nnc(OC[C@]23CNC[C@H]2COC3)n[nH]1 2213803942 YXUHGNIBJFSKTB-IMTBSYHQSA-N 238.251 -1.706 10 10 BACE [N-]=[N+]=N[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO 379340563 KFBQAFVPWSZEHI-JGWLITMVSA-N 207.186 -2.267 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 308675421 CYKRKWKDNIBUBF-REQIZBSHSA-N 219.197 -1.861 10 10 BACE COC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@@H]1N=[N+]=[N-] 383710031 YKXRSKFWXSEPDL-VANKVMQKSA-N 217.181 -1.041 10 10 BACE CC(=O)N[C@H](CS(C)(=O)=O)C(=O)C(C)=O 1951494864 CHMNIXOIECGPQE-SSDOTTSWSA-N 235.261 -1.306 10 10 BACE NCC1(NC(=O)c2cc(O)nc(O)c2)COC1 705597484 VMTMGAJEYGFTGP-UHFFFAOYSA-N 239.231 -1.050 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 306776751 ZSXNUSZQWIFMSA-PJEQPVAWSA-N 203.198 -1.240 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O 77271993 LHNGMVUPXLPGAZ-SZXBDDMQSA-N 219.153 -1.811 10 10 BACE in-vitro CO[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O 255969248 DITZTAYZVSZBCC-IBISWUOJSA-N 219.197 -1.249 10 10 BACE C[C@H](N=[N+]=[N-])[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O 308672958 ASADBDJHGNAQHL-DRYVTRLFSA-N 219.197 -1.515 10 10 BACE CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CN=[N+]=[N-])O[C@H]1O 616582547 JBCJECOTKGFRTM-QQGCVABSSA-N 246.223 -1.760 10 10 BACE [N-]=[N+]=NC[C@@H]1C[C@H](O)[C@@H](O)[C@@](O)(CO)O1 238694169 AXKZFTWVMHVXCG-VWDOSNQTSA-N 219.197 -1.512 10 10 BACE O=C(N[C@H]1CONC1=O)c1cc(O)nc(O)c1 1944108198 UZUVSHRAUFQEQC-YFKPBYRVSA-N 239.187 -1.347 10 10 BACE [N-]=[N+]=N[C@H](CF)[C@H](O)[C@@H](O)C(=O)CO 238688158 RDEIBAYIZLQAEW-PYWDMBMJSA-N 207.161 -1.082 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 307012265 KTRSBMDLCXWFCL-WPRNADSXSA-N 205.170 -2.517 10 10 BACE CC(=O)C(=O)[C@H](O)[C@@]1(C)COCCN1 1900512292 SPGAFYHNSKMYAY-DTWKUNHWSA-N 201.222 -1.116 10 10 BACE [N-]=[N+]=NC[C@@H]1C[C@H](O)[C@@H](O)[C@](O)(CO)O1 393701238 AXKZFTWVMHVXCG-YTLHQDLWSA-N 219.197 -1.512 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 379701159 MVNFSXZTTRLMJR-RZUNNTJFSA-N 214.225 -1.164 10 10 BACE C[C@H](O)[C@@H](CO)NC(=O)c1cc(O)nc(O)c1 2005855675 ZAPIMEJMKZAIGL-CAHLUQPWSA-N 242.231 -1.036 10 10 BACE CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CN=[N+]=[N-])O[C@H]1O 616582542 JBCJECOTKGFRTM-IMFYSGRJSA-N 246.223 -1.760 10 10 BACE [N-]=[N+]=N[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 307403655 KSRDTSABQYNYMP-RDQKPOQOSA-N 205.170 -1.903 10 10 BACE N=c1nnc(OCCOC2CCNCC2)n[nH]1 2213789257 GLSXBQTVEFIRCY-UHFFFAOYSA-N 240.267 -1.173 10 10 BACE [N-]=[N+]=N[C@@]12C[C@H](O)[C@@H](OC1=O)[C@H](O)[C@H]2O 308699890 XKQLPUCGNPRHDX-QVVHOTIMSA-N 215.165 -1.553 10 10 BACE COC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O 389479249 SQLPRNAOJMGTRT-REQIZBSHSA-N 219.197 -1.249 10 10 BACE O=C(NC[C@@H](O)CO)c1cc(O)c(O)c(O)c1 2015075914 XRVJCDKPKMKZKZ-ZCFIWIBFSA-N 243.215 -1.114 10 10 BACE CO[C@H]1[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O 308693216 OHCXFSNECVRBKT-GVUNPQSCSA-N 219.197 -1.863 10 10 BACE N=c1nnc(OCCCN2CCNCC2)n[nH]1 2213787207 IADPGQKXZDPZTF-UHFFFAOYSA-N 239.283 -1.647 10 10 BACE CCCS(=O)(=O)N(C)Nc1nnc(=N)[nH]n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c1nnc(OCC2(CN)CCOCC2)n[nH]1 2213784559 CSVRCFZYARPEGU-UHFFFAOYSA-N 240.267 -1.187 10 10 BACE CO[C@@H]1O[C@H]([C@H](O)CO)[C@H](N=[N+]=[N-])[C@H]1O 308688376 GYDJDEMUCPLUNM-NYMZXIIRSA-N 219.197 -1.249 10 10 BACE N=c1nnc(OCCNC2CCOCC2)n[nH]1 2307952795 SBUZKMRBRUQGCU-UHFFFAOYSA-N 240.267 -1.173 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O 307012262 KTRSBMDLCXWFCL-DZOCOKBZSA-N 205.170 -2.517 10 10 BACE CO[C@]1(CN=[N+]=[N-])O[C@H](CO)[C@H](O)[C@H]1O 308679858 KYIIPVNAQYMKKR-XZBKPIIZSA-N 219.197 -1.248 10 10 BACE CN(Nc1nnc(=N)[nH]n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c1cc(O)nc(O)c1 717349012 MXTYIFCVRMNKIZ-FSPLSTOPSA-N 242.231 -1.036 10 10 BACE N[C@@H]1COC[C@@H]1NC(=O)c1cc(O)nc(O)c1 1944904196 CYYWGAOTTCIXKQ-RQJHMYQMSA-N 239.231 -1.051 10 10 BACE CN1NC(=O)[C@H](CC(=O)Nc2ncccn2)C1=O 169996231 HNZHRXOJRALEIZ-LURJTMIESA-N 249.230 -1.075 10 10 BACE C[C@@]1(O)[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O 308674353 BXWDGTFLYKHREV-ZGGPPPIHSA-N 219.197 -2.127 10 10 BACE [N-]=[N+]=N[C@@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@H]1O 389469691 MYDRSEXSWRXBRS-RZUNNTJFSA-N 214.225 -1.164 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO 238688239 DHCFCMVDOWDQHL-FUTKDDECSA-N 205.170 -2.059 10 10 BACE in-vitro CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N=[N+]=[N-] 383710194 ZSUYBRFJZLLZFI-XUUWZHRGSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O 389462039 GPAOKXWKLOWJHO-ZFYZTMLRSA-N 219.197 -2.125 10 10 BACE Cn1ccc([C@]2(CN)COC[C@@H]2O)cc1=O 1987383482 ZJEQHTJMQBRPMW-ONGXEEELSA-N 224.260 -1.027 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@]1(O)CO 306346872 CMTQRSIPJSBCGS-RXRWUWDJSA-N 205.170 -2.515 10 10 BACE N=c1nnc(OCc2nnc3n2CCNC3)n[nH]1 2219012082 BXGAYDKMOOIITP-UHFFFAOYSA-N 249.238 -2.047 10 10 BACE CC(=O)C(=O)[C@]1(O)CS(=O)(=O)N(C)C1(C)C 1919349068 LKIUDRAQHGRZAX-SECBINFHSA-N 249.288 -1.071 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@](O)(CO)C[C@@H](O)[C@@H]1O 136744440 IERPJTIHGXJFPZ-VEIUFWFVSA-N 219.197 -2.125 10 10 BACE [N-]=[N+]=NCCO[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 214928311 QNXLFMLUXNXCPJ-BNHYGAARSA-N 219.197 -1.248 10 10 BACE Nc1ccc(-n2nnc(C(=O)NCCO)n2)cc1 1857878702 JONLADPSNVUAMN-UHFFFAOYSA-N 248.246 -1.033 10 10 BACE N=c1nnc(OC[C@@H]2CCC3(CNC3)O2)n[nH]1 2299822527 OGURYILJWJWPTC-LURJTMIESA-N 238.251 -1.421 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO 111470969 BPWHMSFNUDJDKX-BGPJRJDNSA-N 207.186 -2.267 10 10 BACE COC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1N=[N+]=[N-] 238351192 YKXRSKFWXSEPDL-MOJAZDJTSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O 90366756 URARQBMUQIRZQO-RWOPYEJCSA-N 205.170 -1.903 10 10 BACE in-vitro [N-]=[N+]=N[C@@H](CO)[C@H]1O[C@H](O)[C@H](O)[C@H]1O 306999387 BFWPUXLMVHSPRI-BSQWINAVSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O 389443922 LHNGMVUPXLPGAZ-BYVYFCENSA-N 219.153 -1.811 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@@]2(O)C(=O)O[C@@H]([C@H]1O)[C@H]2O 389462767 HHNCMOVCTHOJJW-WKYFMQCPSA-N 215.165 -1.553 10 10 BACE CN(C)CCNC=C1C(=O)NC(=O)N(C)C1=O 2296400346 VBZMQKLMIDERDO-UHFFFAOYSA-N 240.263 -1.270 10 10 BACE [N-]=[N+]=NCCO[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 214928208 QNXLFMLUXNXCPJ-ZTYPAOSTSA-N 219.197 -1.248 10 10 BACE C[C@@]12O[C@H](N=[N+]=[N-])[C@@H](O1)[C@H](O)[C@@H](O)[C@H]2O 308673470 BAVQZCSCFAPWJE-XZAJRHLXSA-N 217.181 -1.149 10 10 BACE CO[C@H]1CNC[C@@](O)(C(=O)C(C)=O)C1 1892749540 XLRROGWMNIKJCW-VXNVDRBHSA-N 201.222 -1.116 10 10 BACE C[C@]1(O)O[C@H]([C@H](CO)N=[N+]=[N-])[C@H](O)[C@@H]1O 379702430 YZGMKHZGURMAEJ-ZYNSJIGGSA-N 219.197 -1.513 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1O 13526737 BFWPUXLMVHSPRI-FPRJBGLDSA-N 205.170 -1.903 10 10 BACE in-vitro [N-]=[N+]=NC[C@@H]1OC(=O)[C@](O)(CO)[C@@H]1O 238692309 WOYHQZCJLAQMAD-RPDRRWSUSA-N 203.154 -1.694 10 10 BACE C[C@H](N=[N+]=[N-])C(=O)N[C@@H](CO)C(N)=O 238458540 LNNGPIAFPZCWMO-IMJSIDKUSA-N 201.186 -1.352 10 10 BACE NCc1ccc(N2CCNC(=O)[C@@H]2C(N)=O)cc1 2064211778 ONQGCBUDNUVZBS-JTQLQIEISA-N 248.286 -1.065 10 10 BACE C[C@H]1CO[C@@H](COc2nnc(=N)[nH]n2)CN1 2210652053 QNQWJEBQHUBEML-NTSWFWBYSA-N 226.240 -1.565 10 10 BACE C[C@H](COc1nnc(=N)[nH]n1)N1CCNCC1 2213787285 JAIWFKBPSQHMPJ-SSDOTTSWSA-N 239.283 -1.648 10 10 BACE N=c1nnc(OC[C@]23CCO[C@H]2CNC3)n[nH]1 2253347818 MOSVFFKWPLEMNZ-IMTBSYHQSA-N 238.251 -1.564 10 10 BACE CN1NC(=O)[C@H](N2CCC(C(=O)O)CC2)C1=O 106156188 FFAKQDVLZQNXHB-ZETCQYMHSA-N 241.247 -1.345 10 10 BACE CC(=O)C(=O)Cn1nnn(C2CC2)c1=O 809976043 DSYDZWORIJDKNT-UHFFFAOYSA-N 210.193 -1.067 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O 202663454 SCEUDJRSQLNFKT-AZGQCCRYSA-N 205.170 -1.902 10 10 BACE CC(CO)(CO)NC(=O)c1cc(O)nc(O)c1 126212693 ZJRVBOAIICFHPZ-UHFFFAOYSA-N 242.231 -1.034 10 10 BACE COC(=O)[C@@H]1OC[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 238356556 UFPBWFDVPOXUSQ-BGPJRJDNSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H]1O 238720624 AMNDYSWBYRKPEE-MBMOQRBOSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=NC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O 238663592 PDUIKNNLOXYBHC-ARQDHWQXSA-N 205.170 -1.902 10 10 BACE CC(=O)C(=O)[C@@H](O)COP(=O)(O)O 59065782 DTZHMTDUIGHESZ-BYPYZUCNSA-N 212.094 -1.385 10 10 BACE in-vitro COC(=O)[C@H](O)[C@@H](O)[C@H](CO)N=[N+]=[N-] 308373517 SDOFPKUQLNGNOB-VAYJURFESA-N 205.170 -1.448 10 10 BACE N=c1nnc(OCCN2CCCNCC2)n[n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c1cccc(F)c1O)C(N)=O 695300885 PCMIDBPAWHLIDK-UHFFFAOYSA-N 241.222 -1.040 10 10 BACE C[C@@H](N=[N+]=[N-])C(=O)N[C@@H](CO)C(N)=O 238408933 LNNGPIAFPZCWMO-DMTCNVIQSA-N 201.186 -1.352 10 10 BACE C[C@@]1(O)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@H]1O 308690700 KWOXOLNNYVWGDS-JDTVTDELSA-N 219.197 -2.127 10 10 BACE CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@H](CO)[C@H](O)[C@@H]1O 200430097 CCZCDCDASZJFGK-JAJWTYFOSA-N 246.223 -1.760 10 10 BACE in-vitro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c1nnc(=N)[nH]n1 2209556449 SQKVKNWMMUIJBY-UHFFFAOYSA-N 219.226 -1.897 10 10 BACE CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1N=[N+]=[N-] 34519269 QYZPIZZUWJKSTF-BIVRFLNRSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H]1O 238720634 AMNDYSWBYRKPEE-QTBDOELSSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H]1O 307262946 AMNDYSWBYRKPEE-RSJOWCBRSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@H]1O[C@@H](O)[C@H](O)[C@H]1O 136296454 BFWPUXLMVHSPRI-QZABAPFNSA-N 205.170 -1.903 10 10 BACE in-vitro O=C(N[C@H]1CNC[C@@H]1O)c1cc(O)nc(O)c1 699956959 RIKZKWRHZSGYBM-BQBZGAKWSA-N 239.231 -1.445 10 10 BACE CN(C[C@@H](O)CN)C(=O)c1cc(O)nc(O)c1 310327573 KYAZGITVKFGFBA-ZETCQYMHSA-N 241.247 -1.116 10 10 BACE C[C@@H](COc1nnc(=N)[nH]n1)N1CCOCC1 2213781216 PACBFHLBFFXXHQ-ZETCQYMHSA-N 240.267 -1.221 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H]1O 238721272 AMNDYSWBYRKPEE-SQOUGZDYSA-N 203.154 -1.130 10 10 BACE COC(=O)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O 145275488 RUVRDQHMXBWCLJ-KVTDHHQDSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O 616583617 URARQBMUQIRZQO-QYESYBIKSA-N 205.170 -1.903 10 10 BACE Cn1ccc([C@]2(CN)COC[C@H]2O)cc1=O 1987383480 ZJEQHTJMQBRPMW-KOLCDFICSA-N 224.260 -1.027 10 10 BACE O=C1NC(=S)NC(=O)C1=CN1CCNCC1 27232429 AJUNWNPCZYMWHG-UHFFFAOYSA-N 240.288 -1.694 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)C[C@H](O)C(=O)O 379340601 NSYVRCOUOUTFHE-WISUUJSJSA-N 205.170 -1.146 10 10 BACE [N-]=[N+]=N[C@H](CCO)[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O 389442136 JIVCPCOUEUHYBE-UOYQFSTFSA-N 219.197 -1.513 10 10 BACE N=c1nnc(OCC[C@@H]2COCCN2)n[nH]1 2210654609 WWACYONRJBGYBQ-ZCFIWIBFSA-N 226.240 -1.564 10 10 BACE CN[C@](C)(COC)COc1nnc(=N)[nH]n1 2210652873 BDVIWMAGHXCARW-MRVPVSSYSA-N 228.256 -1.318 10 10 BACE [N-]=[N+]=NC[C@]1(O)[C@H](CO)O[C@H](O)[C@@H]1O 307552565 VAKYYWVYLBFCKH-BXKVDMCESA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 238712832 BPWHMSFNUDJDKX-BXKVDMCESA-N 207.186 -2.267 10 10 BACE C[C@@]1(O)[C@@H](O)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@H]1O 308690698 KWOXOLNNYVWGDS-HYBKHIPXSA-N 219.197 -2.127 10 10 BACE C[C@H](O)C(=[N+]=N)C(=O)OC[C@@H](N)C(=O)O 725391287 LPIWVQJPNOGGCL-IUYQGCFVSA-O 218.189 -1.998 10 10 BACE CCOC(=O)CC(=O)N1NC(=O)CC1=O 238255056 ZFWJOSUKVRHFAC-UHFFFAOYSA-N 214.177 -1.270 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO 238688545 DHCFCMVDOWDQHL-PUFIMZNGSA-N 205.170 -2.059 10 10 BACE NC(=O)Cn1ccc2c(c1=O)CNCC2 1930894029 ILXYGMGTDJPFSZ-UHFFFAOYSA-N 207.233 -1.021 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 394939078 WBXNOAAHQIBSBE-CJZRUXIPSA-N 219.197 -1.656 10 10 BACE Nc1ccc(C[C@H](O)[C@@H](O)[C@@H](O)CO)cc1 167841818 MRNNKNGLQUJDHI-GARJFASQSA-N 227.260 -1.114 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](C(N)=O)[C@H](O)[C@@H](O)[C@@H]1O 308677156 GSJJWMBAXYXOIM-LVBGKUAWSA-N 218.169 -2.410 10 10 BACE CC(=O)C(=O)[C@@](C)(O)[C@@H]1CNCCO1 1929231733 SWXXMZNHCMRZOK-CBAPKCEASA-N 201.222 -1.116 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)O[C@@H]2[C@H](O)C(=O)O[C@H]12 306807057 LLKJNMKVLFMCPN-YHXGILANSA-N 201.138 -1.331 10 10 BACE C[C@@H](O)C(=[N+]=[N-])C(=O)OC[C@@H](N)C(=O)O 5809698 WAKGSHQRLIGGLB-QWWZWVQMSA-N 217.181 -2.007 10 10 BACE COC[C@@]1(COc2nnc(=N)[nH]n2)C=CCN1 2306888984 WBTXZWIRAMGSLA-SECBINFHSA-N 238.251 -1.397 10 10 BACE C[C@H](O)C(=[N+]=[N-])C(=O)OC[C@@H](N)C(=O)O 5809696 WAKGSHQRLIGGLB-IUYQGCFVSA-N 217.181 -2.007 10 10 BACE CC(=O)C(=O)[C@@]1(O)CCS(=O)(=O)C1 1929131881 UTQBJGDPNLWBEJ-SSDOTTSWSA-N 206.219 -1.306 10 10 BACE COC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](O)[C@H](O)[C@H]1O 389479256 SQLPRNAOJMGTRT-XUVCUMPTSA-N 219.197 -1.249 10 10 BACE N=c1nnc(OC[C@H](N)C[C@H]2CCOC2)n[nH]1 2213788848 BPMQYRMZBMHECZ-RNFRBKRXSA-N 240.267 -1.188 10 10 BACE [N-]=[N+]=N[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 307628879 KTRSBMDLCXWFCL-WZWPATEWSA-N 205.170 -2.517 10 10 BACE [N-]=[N+]=NC[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O 308699067 WBXNOAAHQIBSBE-MLKOFDEISA-N 219.197 -1.656 10 10 BACE [N-]=[N+]=NC[C@H]1[C@@H]([C@H](O)CO)O[C@@H](O)[C@H]1O 211225303 VTPFXINJJZEFIO-ULQPCXBYSA-N 219.197 -1.656 10 10 BACE O=C(c1cc(O)nc(O)c1)N1C[C@H](O)[C@@H](O)C1 236572370 AUFSHMJTCHVBNS-BQBZGAKWSA-N 240.215 -1.330 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1O 383691183 YFOCLVFGJOTUSJ-XUUWZHRGSA-N 219.197 -1.656 10 10 BACE N[C@H](C(=O)O)[C@@H](O)c1cc(O)nc(O)c1 1952450356 YXTGMCKDGJRPJZ-BQBZGAKWSA-N 214.177 -1.062 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)C(=O)O[C@H]1[C@@H](O)CO 306760124 WFXHDJPHQYUSCY-QTBDOELSSA-N 203.154 -1.695 10 10 BACE N[C@H](C(=O)NC[C@H](O)CO)c1ccccc1O 83367882 LAVNFWOQVLHEAX-XVKPBYJWSA-N 240.259 -1.139 10 10 BACE CO[C@H]1[C@@H](O)[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@H]1O 389467493 KSYQAKZKZNBKKV-OGLUGUSVSA-N 219.197 -1.863 10 10 BACE N=c1nnc(OCCN2CCNCC2)n[nH]1 2210653517 KAPIJVXPJAAIJH-UHFFFAOYSA-N 225.256 -2.037 10 10 BACE C[C@]1(COc2nnc(=N)[nH]n2)COCCN1 2210652639 YMZHPZLICTZXQP-MRVPVSSYSA-N 226.240 -1.564 10 10 BACE N=c1nnc(OC[C@]23CNC[C@@H]2COC3)n[n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c1ccc(N(CC(N)=O)CC(N)=O)cc1 61804210 ANLHVPFZIOEKCQ-UHFFFAOYSA-N 236.275 -1.078 10 10 BACE N=c1nnc(OCC2CC(N)(C(=O)O)C2)n[nH]1 2213779462 UKJPOBLNPAILSR-UHFFFAOYSA-N 240.223 -1.750 10 10 BACE [N-]=[N+]=NCCCNC1(C(N)=O)CS(=O)(=O)C1 1912182028 WNFZTOHGGIYNAF-UHFFFAOYSA-N 247.280 -1.071 10 10 BACE NC(=O)[C@H](O)CNC(=O)Cc1ccc(N)cc1 228476994 JDTPRKJGWLUYIP-SECBINFHSA-N 237.259 -1.226 10 10 BACE C[C@H](NC(=O)c1cc(O)nc(O)c1)[C@H](O)CO 705073190 AYFUTGQFUVYAPA-CAHLUQPWSA-N 242.231 -1.036 10 10 BACE N=c1nnc(OC[C@@H]2C[C@H]3OCC[C@@H]3N2)n[nH]1 2213786987 FLIPJWCWHOCONW-LYFYHCNISA-N 238.251 -1.423 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 306340852 ZSXNUSZQWIFMSA-ZFYZTMLRSA-N 203.198 -1.240 10 10 BACE CC(=O)C(=O)[C@@H](O)[C@]1(C)COCCN1 1900512289 SPGAFYHNSKMYAY-BDAKNGLRSA-N 201.222 -1.116 10 10 BACE CC1(C)OCCN[C@@H]1COc1nnc(=N)[nH]n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n1cc[n+](S(=O)(=O)CCCO)c1 388311238 RQBPRRVGQHUCPP-UHFFFAOYSA-N 205.259 -1.127 10 10 BACE C[C@]1(O)[C@H](O)[C@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 308690703 KWOXOLNNYVWGDS-ZGGPPPIHSA-N 219.197 -2.127 10 10 BACE CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1N=[N+]=[N-] 616582596 CCZCDCDASZJFGK-FMGWEMOISA-N 246.223 -1.760 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O 379701835 HFKUSYWEILNCQU-BJHXXSGBSA-N 219.153 -1.811 10 10 BACE CNC(=O)CNC(=O)c1cc(O)nc(O)c1 1984466501 KSJPKUNLXSRZRA-UHFFFAOYSA-N 225.204 -1.031 10 10 BACE [N-]=[N+]=N[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O 202000823 YMGPURNHTJGZBK-BWBBJGPYSA-N 201.182 -1.320 10 10 BACE [N-]=[N+]=NC[C@@H]1NC[C@H]2O[C@@]1(O)[C@@H](O)[C@@H]2O 238721884 VSVONVFNMQUSBR-IBISWUOJSA-N 216.197 -1.922 10 10 BACE CO[C@@H]1O[C@H]([C@@H](O)CN=[N+]=[N-])[C@H](O)[C@H]1O 383702779 NZWMLTAQLPDVCH-CQOGJGKDSA-N 219.197 -1.249 10 10 BACE N=c1nnc(OC[C@@]23CO[C@@H](CN2)C3)n[nH]1 2210643180 HTCWOWSHFHSWNU-SVGQVSJJSA-N 224.224 -1.811 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H]1OC(=O)[C@@H](O)[C@H]1O 197144340 SCCUYVKSWGEZPQ-QTBDOELSSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)O[C@H]1[C@@H](O)CO 308699002 VTPFXINJJZEFIO-VOQCIKJUSA-N 219.197 -1.656 10 10 BACE NC(=O)[C@@H](O)CNCc1ccc(O)c(O)c1O 228592003 HQODJHIYEMRZAW-ZETCQYMHSA-N 242.231 -1.261 10 10 BACE CC(=O)C(=O)[C@](C)(O)CS(C)(=O)=O 1953994762 JQKAWBXTIGZBND-SSDOTTSWSA-N 208.235 -1.060 10 10 BACE C[C@@H](O)[C@H](CO)NC(=O)c1cc(O)nc(O)c1 2005855677 ZAPIMEJMKZAIGL-VDTYLAMSSA-N 242.231 -1.036 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 149240322 CYKRKWKDNIBUBF-ULQPCXBYSA-N 219.197 -1.861 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](CO)O[C@H](O)[C@H](O)[C@@H]1O 306198062 UMVGRQGCOVIFLI-BSQWINAVSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@H](O)O[C@H]1[C@H](O)CO 308699004 VTPFXINJJZEFIO-XUUWZHRGSA-N 219.197 -1.656 10 10 BACE CC1(C)CNC[C@@H](COc2nnc(=N)[nH]n2)O1 2213788859 BRNCQQYSMZZWAD-LURJTMIESA-N 240.267 -1.175 10 10 BACE CN(C)CCCNC(=O)CC1C(=O)NNC1=O 74745930 DZWKTJYTQQCSRV-UHFFFAOYSA-N 242.279 -1.778 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 307110336 KTRSBMDLCXWFCL-KXXVROSKSA-N 205.170 -2.517 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)O[C@H]1[C@@H](O)CO 307225988 FHVLMKULOQAFPX-BYIBVSMXSA-N 205.170 -1.903 10 10 BACE CO[C@@H](CN)COc1nnc(=N)[nH]n1 2242450261 CAXQANAIGWUMCM-BYPYZUCNSA-N 200.202 -1.968 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O 389462036 GPAOKXWKLOWJHO-GKHCUFPYSA-N 219.197 -2.125 10 10 BACE CO[C@@H]1O[C@H]([C@H](O)CO)[C@H](N=[N+]=[N-])[C@@H]1O 308688394 GYDJDEMUCPLUNM-XUUWZHRGSA-N 219.197 -1.249 10 10 BACE CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O 379700471 OHFDTEVWNASWPJ-MLKOFDEISA-N 216.197 -1.734 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1O 306806595 KFJSKWBEWBTBDI-QZABAPFNSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC[C@H](F)[C@@H](O)[C@H](O)C(=O)CO 210344217 QEYIQRLJXHBAIG-OTWZMJIISA-N 207.161 -1.082 10 10 BACE NCc1ccc(N2CCNC(=O)[C@H]2C(N)=O)cc1 2064211779 ONQGCBUDNUVZBS-SNVBAGLBSA-N 248.286 -1.065 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O 38523997 KFJSKWBEWBTBDI-RDQKPOQOSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@@H]2C[C@@](O)(C(=O)O2)[C@H]1O 383691221 YLSGIYCTBWRKPB-FPYZNPETSA-N 215.165 -1.553 10 10 BACE CO[C@@H]1O[C@H]([C@H](O)CO)[C@@H](N=[N+]=[N-])[C@H]1O 308688367 GYDJDEMUCPLUNM-IECVIRLLSA-N 219.197 -1.249 10 10 BACE C[C@H]1CNC[C@@H](COc2nnc(=N)[nH]n2)O1 2210651371 HRTDEBNBJIJVFO-WDSKDSINSA-N 226.240 -1.565 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@@H](O)[C@@](O)(CO)[C@@H]1O 238692259 UXYAEOPDPWNGIL-KVTDHHQDSA-N 205.170 -1.902 10 10 BACE N[C@@H](CO)CNC(=O)c1cc(O)nc(O)c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c1cc(O)nc(O)c1 1946773189 WSQKCQIGPXZPLP-UHFFFAOYSA-N 240.263 -1.148 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)C(=O)O[C@@H]1[C@H](O)CO 306760125 WFXHDJPHQYUSCY-SQOUGZDYSA-N 203.154 -1.695 10 10 BACE COC(=O)[C@@H]1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O 238357429 RUVRDQHMXBWCLJ-ARQDHWQXSA-N 217.181 -1.041 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]1O 306829641 KFJSKWBEWBTBDI-PHYPRBDBSA-N 205.170 -1.903 10 10 BACE N[C@H](CNC(=O)c1cc(O)nc(O)c1)C(=O)O 323652681 AEVABSHEMMZLOK-RXMQYKEDSA-N 241.203 -1.366 10 10 BACE COC[C@H](N=[N+]=[N-])[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O 389479257 SQLPRNAOJMGTRT-ZYNSJIGGSA-N 219.197 -1.249 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O 389482187 WUXIOHNNHKEPKP-VOQCIKJUSA-N 219.197 -1.249 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 389482188 WUXIOHNNHKEPKP-XUUWZHRGSA-N 219.197 -1.249 10 10 BACE N=c1nnc(OCCS(=O)(=O)CCN)n[nH]1 1899699256 BDRIJHOKSAAKDB-UHFFFAOYSA-N 248.268 -2.569 10 10 BACE [N-]=[N+]=NCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 238720891 TXKZALZUBRWHRY-VZFHVOOUSA-N 201.182 -1.320 10 10 BACE N=c1nnc(OC[C@@H]2COCC[C@H]2N)n[n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c1nnc(OC[C@@H](N)C[C@@H]2CCCO2)n[nH]1 2213780467 GKPTWPFWBVNECT-BQBZGAKWSA-N 240.267 -1.046 10 10 BACE [N-]=[N+]=NC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@H]1O 197345196 SCEUDJRSQLNFKT-VANKVMQKSA-N 205.170 -1.902 10 10 BACE COC[C@@](C)(N)CCOc1nnc(=N)[nH]n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c1nnc(OC[C@H]2CCS(=O)(=O)N2)n[nH]1 2210651479 JCWUJMSZJZZTBW-SCSAIBSYSA-N 246.252 -2.250 10 10 BACE N=c1nnc(OC[C@@H]2C[C@H]3COC[C@@H]3N2)n[nH]1 2213780965 MKUCVSGCAXDOCS-ACZMJKKPSA-N 238.251 -1.565 10 10 BACE CC1(C)NCCO[C@H]1COc1nnc(=N)[nH]n1 2213785041 IGIFVVUJFGGEJX-LURJTMIESA-N 240.267 -1.175 10 10 BACE CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 146461829 WUXIOHNNHKEPKP-OVHBTUCOSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NCCCN1C[C@@H]2NC(=O)C(=O)N[C@H]2C1 2001857071 OJGKECDURCUIQG-BQBZGAKWSA-N 238.251 -1.014 10 10 BACE [N-]=[N+]=NC[C@]1(O)O[C@H](CO)[C@H](O)[C@@H]1O 306388735 PDUIKNNLOXYBHC-VANKVMQKSA-N 205.170 -1.902 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@@H]1N=[N+]=[N-] 308674442 CFQQDJFWILAKAH-ULQPCXBYSA-N 218.213 -1.283 10 10 BACE N=c1nnc(OC[C@H]2CC[C@H](CN)OC2)n[nH]1 2246531981 JWPWDLNLKCVOLI-NKWVEPMBSA-N 240.267 -1.188 10 10 BACE CN[C@@](C)(COC)COc1nnc(=N)[nH]n1 2210652874 BDVIWMAGHXCARW-QMMMGPOBSA-N 228.256 -1.318 10 10 BACE COC1(COc2nnc(=N)[nH]n2)CCNCC1 2213785822 RDSKSGICAFBQDR-UHFFFAOYSA-N 240.267 -1.173 10 10 BACE CNC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1N=[N+]=[N-] 307383876 HZMGQRSHCKOWAA-BGYOELTMSA-N 202.170 -1.511 10 10 BACE CO[C@H]1O[C@H](CN=[N+]=N)[C@@H](O)[C@H](O)[C@H]1O 1848436327 JWBPIBKVSKPQRI-ZFYZTMLRSA-N 220.205 -2.009 10 10 BACE CO[C@H]1CNCC[C@]1(O)C(=O)C(C)=O 1929194509 YCPUQAGXHKRBOO-IONNQARKSA-N 201.222 -1.116 10 10 BACE CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O 379700472 OHFDTEVWNASWPJ-NEVCITSRSA-N 216.197 -1.734 10 10 BACE COC(=O)[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@@H]1O 308696287 RUVRDQHMXBWCLJ-DPYQTVNSSA-N 217.181 -1.041 10 10 BACE O=C(N[C@H]1COC[C@@H]1O)c1cc(O)nc(O)c1 323613369 UBZNFLSIQWNPHN-BQBZGAKWSA-N 240.215 -1.018 10 10 BACE O=C(/N=N\C(=O)NCCO)NCCO 102297106 HHPYLMLNMNDPAL-KTKRTIGZSA-N 204.186 -1.158 10 10 BACE [N-]=[N+]=N[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 238720787 HFKUSYWEILNCQU-SEEKMWBPSA-N 219.153 -1.811 10 10 BACE C[C@@]1(O)O[C@H]([C@H](CO)N=[N+]=[N-])[C@H](O)[C@@H]1O 383691667 YZGMKHZGURMAEJ-NEVCITSRSA-N 219.197 -1.513 10 10 BACE CN(C)CCNCCOc1nnc(=N)[nH]n1 2210651967 PNFSGDPPMHSPJH-UHFFFAOYSA-N 227.272 -1.791 10 10 BACE C[C@H](N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)C(=O)CO 308672758 AKYSLGUVFAHRBW-DOAVWBMOSA-N 219.197 -1.671 10 10 BACE [N-]=[N+]=NCC1=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 238708228 TXKZALZUBRWHRY-GBNDHIKLSA-N 201.182 -1.320 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 306340850 ZSXNUSZQWIFMSA-VEIUFWFVSA-N 203.198 -1.240 10 10 BACE CO[C@@H]1O[C@@](OC)([C@H](C)N)C(CO)=C1CO 381272078 VVLVJBUFPXZUTM-QUNWWBBNSA-N 233.264 -1.040 10 10 BACE C[C@@H]1CO[C@H](COc2nnc(=N)[nH]n2)CN1 2210652055 QNQWJEBQHUBEML-RITPCOANSA-N 226.240 -1.565 10 10 BACE [N-]=[N+]=NC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O 238720675 CNIBMDJYYWDSJO-SQOUGZDYSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O 306243299 NZYMIGLZTONBKI-QZABAPFNSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@]1(CO)[C@H](O)[C@H](O)[C@H](O)[C@H]1O 307029573 MLFGJMWTGWQTDS-RXRWUWDJSA-N 205.170 -2.515 10 10 BACE NC[C@H](CO)NC(=O)c1cc(O)c(O)c(O)c1 2015075021 NHBQXHODMDJUSZ-ZCFIWIBFSA-N 242.231 -1.147 10 10 BACE [N-]=[N+]=NCC1=C[C@H](O)[C@H](O)[C@H](O)[C@H]1O 306254085 TXKZALZUBRWHRY-ZTYPAOSTSA-N 201.182 -1.320 10 10 BACE Nc1ccc(C[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1 33903571 MRNNKNGLQUJDHI-OUAUKWLOSA-N 227.260 -1.114 10 10 BACE N=c1nnc(OC[C@H]2CNCCOC2)n[nH]1 2210648566 WYWOGWBUSPGFJU-LURJTMIESA-N 226.240 -1.706 10 10 BACE [N-]=[N+]=N[C@@H]1C(=O)O[C@H]([C@H](O)CO)[C@@H]1O 307118411 WPTGEMUDGDGUKP-KKQCNMDGSA-N 203.154 -1.695 10 10 BACE [N-]=[N+]=N[C@@H](CO)[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O 205089119 BFWPUXLMVHSPRI-SXUWKVJYSA-N 205.170 -1.903 10 10 BACE in-vitro [N-]=[N+]=N[C@@H]1[C@@H](O)C(=O)O[C@H]1[C@H](O)CO 306855709 WFXHDJPHQYUSCY-AIHAYLRMSA-N 203.154 -1.695 10 10 BACE O=C1NC(=O)[C@H]2C1=CC=CC2=S(=O)=O 100377761 DISOQBOCQAEMAE-LURJTMIESA-N 211.198 -1.193 10 10 BACE Cn1ccc([C@@]2(CN)COC[C@H]2O)cc1=O 1987383481 ZJEQHTJMQBRPMW-MWLCHTKSSA-N 224.260 -1.027 10 10 BACE O=C1NC(=O)C(=CNNCCO)C(=O)N1 5638406 LHLTXCMIWJNATQ-UHFFFAOYSA-N 214.181 -2.677 10 10 BACE [N-]=[N+]=NCCCN(CC(N)=O)CC(N)=O 61808405 USZDGRZITZQFLA-UHFFFAOYSA-N 214.229 -1.041 10 10 BACE Nc1ccc(C[C@H](O)[C@H](O)[C@@H](O)CO)cc1 167842033 MRNNKNGLQUJDHI-DCAQKATOSA-N 227.260 -1.114 10 10 BACE N[C@H](CO)C(=O)NCc1ccc(O)c(O)c1O 83370068 HNZVMQMXPLIKII-ZCFIWIBFSA-N 242.231 -1.261 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1O 137061738 SCCUYVKSWGEZPQ-AIHAYLRMSA-N 203.154 -1.695 10 10 BACE O=C(N[C@@H]1COC[C@H]1O)c1cc(O)nc(O)c1 323198190 UBZNFLSIQWNPHN-RNFRBKRXSA-N 240.215 -1.018 10 10 BACE CO[C@H]1CN[C@H](COc2nnc(=N)[nH]n2)C1 2210651468 JASWPVMSWPKUOY-NTSWFWBYSA-N 226.240 -1.565 10 10 BACE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCS(=O)(=O)C1 85224431 YKAALODNOVGRBY-SSDOTTSWSA-N 247.280 -1.071 10 10 BACE [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N 307467283 PHBNJBXFQMNJNC-VFUOTHLCSA-N 204.186 -1.937 10 10 BACE COC(=O)[C@@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H]1O 308696288 RUVRDQHMXBWCLJ-JGWLITMVSA-N 217.181 -1.041 10 10 BACE CC(=O)C(=O)[C@@](C)(O)CS(C)(=O)=O 1953994763 JQKAWBXTIGZBND-ZETCQYMHSA-N 208.235 -1.060 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H]1O 307262944 AMNDYSWBYRKPEE-KLVWXMOXSA-N 203.154 -1.130 10 10 BACE [N-]=[N+]=NC[C@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O 238660725 PDUIKNNLOXYBHC-ZXXMMSQZSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)O[C@H](C(=O)O)[C@@H]1O 389462615 HGTUBKUXTHAQBD-BYVYFCENSA-N 219.153 -1.811 10 10 BACE [N-]=[N+]=N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 307483000 ZSXNUSZQWIFMSA-UOYQFSTFSA-N 203.198 -1.240 10 10 BACE CN1CCN[C@@H](CCOc2nnc(=N)[nH]n2)C1 2213787952 QTELDOZUMMBLCD-ZETCQYMHSA-N 239.283 -1.648 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@H]1CO 306198065 UMVGRQGCOVIFLI-ZSNZIGRDSA-N 205.170 -1.903 10 10 BACE OCC(O)(CO)CNCc1ccc(O)cc1O 1913786787 QOMGPCIVCNMHNM-UHFFFAOYSA-N 243.259 -1.097 10 10 BACE [N-]=[N+]=NCC1=C[C@H](O)[C@H](O)[C@H](O)[C@@H]1O 306254084 TXKZALZUBRWHRY-BNHYGAARSA-N 201.182 -1.320 10 10 BACE CO[C@@H]1O[C@H]([C@@H](O)CO)[C@@H](N=[N+]=[N-])[C@H]1O 383683114 GYDJDEMUCPLUNM-PAMBMQIZSA-N 219.197 -1.249 10 10 BACE CC(=O)C(=O)C1(O)CCN(CCN)CC1 1918401185 GIGZSUFXGZVZAD-UHFFFAOYSA-N 214.265 -1.070 10 10 BACE [N-]=[N+]=N[C@H](CF)[C@@H](O)[C@@H](O)C(=O)CO 238688405 RDEIBAYIZLQAEW-PUFIMZNGSA-N 207.161 -1.082 10 10 BACE CN1CCN[C@@H](COc2nnc(=N)[nH]n2)C1 2210652949 CIMQLGYAHMYRHS-ZCFIWIBFSA-N 225.256 -2.038 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O 17063817 CMLRUUHRGSJVMD-KGJVWPDLSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@]1(O)CO 306842709 CMTQRSIPJSBCGS-QYESYBIKSA-N 205.170 -2.515 10 10 BACE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCS(=O)(=O)C1 85224429 YKAALODNOVGRBY-ZETCQYMHSA-N 247.280 -1.071 10 10 BACE [N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 205721904 CMLRUUHRGSJVMD-XKTQNOIPSA-N 205.170 -1.903 10 10 BACE CC(=O)C(=O)[C@](C)(O)C1CS(=O)(=O)C1 1929245442 BSTXVTFTZVIUSB-MRVPVSSYSA-N 220.246 -1.060 10 10 BACE N=c1nnc(OCC2(F)CNC2)n[nH]1 2209555816 KORMCCDEFXYSRD-UHFFFAOYSA-N 200.177 -1.631 10 10 BACE CO[C@@H]1O[C@H]([C@H](O)CN=[N+]=[N-])[C@@H](O)[C@H]1O 379701192 NZWMLTAQLPDVCH-IECVIRLLSA-N 219.197 -1.249 10 10 BACE N=c1nnc(OC[C@@H]2C[C@@H]3CNC[C@H]32)n[nH]1 2210645183 GDTILRBQTGZBRA-DSYKOEDSSA-N 222.252 -1.087 10 10 BACE N=c1nnc(OC[C@@H]2CO[C@@H](CN)C2)n[nH]1 2210647333 PFSSOQYCWXAHKL-NTSWFWBYSA-N 226.240 -1.578 10 10 BACE [N-]=[N+]=N[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 197152700 HFKUSYWEILNCQU-RCBNBJTQSA-N 219.153 -1.811 10 10 BACE [N-]=[N+]=N[C@H](CO)[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O 306449689 BFWPUXLMVHSPRI-RDQKPOQOSA-N 205.170 -1.903 10 10 BACE C[C@@]1(COc2nnc(=N)[nH]n2)COCCN1 2210652640 YMZHPZLICTZXQP-QMMMGPOBSA-N 226.240 -1.564 10 10 BACE C[C@@H](N=[N+]=[N-])[C@H](O)[C@H](O)[C@@H](O)C(=O)CO 308672756 AKYSLGUVFAHRBW-DAXDWZTDSA-N 219.197 -1.671 10 10 BACE CC(=O)C(=O)[C@H](N)[C@H](O)[C@H](O)[C@H](O)CO 141205299 AIWBNMWVDUSXLC-ROHCDXGRSA-N 221.209 -3.453 10 10 BACE C[C@@H]1N[C@H](CN=[N+]=[N-])[C@H](O)[C@@H](O)[C@@H]1O 306405563 JPCAXARYYRNWSU-XUVCUMPTSA-N 202.214 -1.260 10 10 BACE [N-]=[N+]=NC[C@@H]1OC(=O)[C@@](O)(CO)[C@H]1O 307637287 WOYHQZCJLAQMAD-RVJQKOHUSA-N 203.154 -1.694 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@H](O)C[C@@H](O)C(=O)O 238681652 NSYVRCOUOUTFHE-WDCZJNDASA-N 205.170 -1.146 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]1O 383683136 HGTUBKUXTHAQBD-WAXACMCWSA-N 219.153 -1.811 10 10 BACE [N-]=[N+]=N[C@H]1CO[C@](O)(CO)[C@H](O)[C@@H]1O 137314539 PKWGGYMHQZGSBV-SLPGGIOYSA-N 205.170 -1.902 10 10 BACE in-vitro [N-]=[N+]=NCCO[C@]1(CO)OC[C@@H](O)[C@H](O)[C@H]1O 616583539 TXIWDMGGRBUWOQ-ULAWRXDQSA-N 249.223 -1.885 10 10 BACE [N-]=[N+]=NCCO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 34027745 QNXLFMLUXNXCPJ-XZBKPIIZSA-N 219.197 -1.248 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@]1(O)CO 306346869 CMTQRSIPJSBCGS-AIECOIEWSA-N 205.170 -2.515 10 10 BACE [N-]=[N+]=N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 36448700 URARQBMUQIRZQO-RXRWUWDJSA-N 205.170 -1.903 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O 383691184 YFOCLVFGJOTUSJ-ZFYZTMLRSA-N 219.197 -1.656 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O 307385541 KTRSBMDLCXWFCL-UOTPTPDRSA-N 205.170 -2.517 10 10 BACE [N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 308690710 KWZZFSWPMXFWQD-XZBKPIIZSA-N 219.197 -1.248 10 10 BACE N=c1nnc(OCc2ncoc2CCN)n[nH]1 2213779222 QOMAXYOVPJWWLO-UHFFFAOYSA-N 237.223 -1.253 10 10 BACE NC(=O)CONC(=O)c1cc(O)nc(O)c1 700624733 MIWGONFPRWCSKX-UHFFFAOYSA-N 227.176 -1.361 10 10 BACE NC(=O)C(NCc1c(O)cccc1F)C(N)=O 1997955579 CENXHNIUFMRZQY-UHFFFAOYSA-N 241.222 -1.040 10 10 BACE [N-]=[N+]=N[C@@H]1C(=O)O[C@H]2[C@H]1O[C@@H](O)[C@H]2O 306308339 OCQFJJUBASRQJE-AZLKCVHYSA-N 201.138 -1.331 10 10 BACE N=c1nnc(OC[C@@H](N)C[C@@H]2CCOC2)n[nH]1 2213788846 BPMQYRMZBMHECZ-BQBZGAKWSA-N 240.267 -1.188 10 10 BACE N=c1nnc(OC[C@@H]2CO[C@H]3CNC[C@H]23)n[nH]1 2213781309 QEBYVGPYWPJGAO-XVMARJQXSA-N 238.251 -1.708 10 10 BACE CO[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1N=[N+]=[N-] 308693219 OHCXFSNECVRBKT-XLCKTPMPSA-N 219.197 -1.863 10 10 BACE [N-]=[N+]=NCCN1C[C@H](O)[C@@H](O)[C@H]1CO 1900249200 VVYISVFQEIOJKG-VQVTYTSYSA-N 202.214 -1.305 10 10 BACE [N-]=[N+]=N[C@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O 306231836 HZFDWRYAPZYZAY-KVTDHHQDSA-N 205.170 -1.902 10 10 BACE CO[C@@H]1CNCC[C@]1(O)C(=O)C(C)=O 1929194510 YCPUQAGXHKRBOO-VXNVDRBHSA-N 201.222 -1.116 10 10 BACE COC[C@]1(COc2nnc(=N)[nH]n2)CCNC1 2213789162 FPRPRZRGAXLTKM-VIFPVBQESA-N 240.267 -1.316 10 10 BACE [N-]=[N+]=NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 111470973 BPWHMSFNUDJDKX-SLPGGIOYSA-N 207.186 -2.267 10 10 BACE [N-]=[N+]=N[C@H]1CO[C@@](O)(CO)[C@H](O)[C@H]1O 307409123 PKWGGYMHQZGSBV-AZGQCCRYSA-N 205.170 -1.902 10 10 BACE [N-]=[N+]=N[C@@H]1[C@H](O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O 96030677 LHNGMVUPXLPGAZ-DTEWXJGMSA-N 219.153 -1.811 10 10 BACE CO[C@@H]1O[C@H](CO)[C@H](N=[N+]=[N-])[C@@H](O)[C@H]1O 105073013 ILJSIFPAYLYDDP-IECVIRLLSA-N 219.197 -1.249 10 10 BACE [N-]=[N+]=NC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)[C@H]1O 307116831 ZOQJQZIAMXOKIM-UKFBFLRUSA-N 205.170 -1.903 10 10 BACE CO[C@@H]1[C@@H](N=[N+]=[N-])[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 13600422 OHCXFSNECVRBKT-NLZQRBTFSA-N 219.197 -1.863 10 10 BACE [N-]=[N+]=NC[C@H](F)[C@H](O)[C@@H](O)C(=O)CO 238688177 QEYIQRLJXHBAIG-FUTKDDECSA-N 207.161 -1.082 10 10 BACE [N-]=[N+]=N[C@@]12C[C@H](O)[C@@H](OC1=O)[C@@H](O)[C@@H]2O 238710665 XKQLPUCGNPRHDX-SKYANUQHSA-N 215.165 -1.553 10 10 BACE [N-]=[N+]=N[C@H]1[C@H](O)[C@@]2(O)C[C@@H](OC2=O)[C@@H]1O 389496056 YLSGIYCTBWRKPB-NRGGUMNKSA-N 215.165 -1.553 10 10 BACE [N-]=[N+]=N[C@@H]1C[C@H]([N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O 687760216 KXHPYQDMDALNMS-FDROIEKHSA-N 218.169 -1.203 10 10 BACE CC1(C)CNC[C@H](COc2nnc(=N)[nH]n2)O1 2213778066 BRNCQQYSMZZWAD-ZCFIWIBFSA-N 240.267 -1.175 10 10 BACE [N-]=[N+]=NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 238660077 KWZZFSWPMXFWQD-MVIOUDGNSA-N 219.197 -1.248 10 10 BACE [N-]=[N+]=NC[C@@H]1[C@@H]([C@H](O)CO)O[C@H](O)[C@@H]1O 197441773 VTPFXINJJZEFIO-XUVCUMPTSA-N 219.197 -1.656 10 10 BACE CC(=O)C(=O)[C@H](N)[C@H](O)[C@H](O)[C@@H](O)CO 308813297 AIWBNMWVDUSXLC-MGVQOFIGSA-N 221.209 -3.453 10 10 BACE O=C(NC(CO)CO)c1cc(O)c(O)c(O)c1 2015074071 CHEYACIEXRXCDD-UHFFFAOYSA-N 243.215 -1.114 10 10 BACE N=c1nnc(OC[C@H]2COCC[C@@H]2N)n[nH]1 2210650567 WVJZGIMBPPUCMC-RITPCOANSA-N 226.240 -1.578 10 10 BACE OCC(CO)(CO)NCc1ccc(O)cc1O 236497026 WGRWPXYVLKWINE-UHFFFAOYSA-N 243.259 -1.097 10 10 BACE C[C@]1(COc2nnc(=N)[nH]n2)CNCCOC1 2213788163 UFPNKECMHIQNBZ-VIFPVBQESA-N 240.267 -1.316 10 10 BACE CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](N=[N+]=[N-])[C@H]1O 395054402 OHFDTEVWNASWPJ-RRNSMKEASA-N 216.197 -1.734 10 10 BACE