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O=C(O)[C@H](O)[C@@H](O)CO C01620 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO C21593 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.2 [*]SC(=O)[C@@H](N)C(=O)O C18618 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.2 CCC(=O)CC(=O)O C02233 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.2 CN(CC(=O)O)N=O C19286 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.2 NCC(O)CC(=O)O C03678 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.2 [*]OC(C)CC([*])=O C06143 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.2 [*]O[C@H](C)CC([*])=O C11551 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.2 [*]O[C@H](C)CC([*])=O C11552 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.5 CCCC(=O)C(=O)O C06255 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.5 CCC[C@@H](N)C(=O)O C01799 [1,0,0,0,0,0|0,0,0]=1 27 B7R0.5 CCC[C@H](N)C(=O)O C01826 [1,0,0,0,0,0|0,0,0]=1 28 B7R0.5 CNC[C@H](N)C(=O)O C08291 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 C[Se]CC(=O)C(=O)O C18904 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.5 C[Se]C[C@H](N)C(=O)O C05689 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 N#CC[C@H](N)C(=O)O C02512 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.5 NC(CCS)C(=O)O C05330 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 NCC[C@H](N)C(=O)O C03283 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 N[C@@H](CC=O)C(=O)O C00441 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.5 N[C@@H](CCO)C(=O)O C00263 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 N[C@@H](CCS)C(=O)O C00155 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.5 N[C@@H](CSS)C(=O)O C01962 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 [*]SC[C@H](N)C(=O)O C02749 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 [*]SC[C@H](N)C(=O)O C02882 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 [*]SC[C@H](N)C(=O)O C05726 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 [SeH]CC[C@H](N)C(=O)O C05698 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.16 CC(=O)C(N)C(=O)O C03214 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.16 CC(=O)[C@H](N)C(=O)O C03508 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.16 CC(C)C(=O)C(=O)O C00141 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.16 CC(C)C(N)C(=O)O C16436 [1,0,0,0,0,0|0,0,0]=1 46 B7R0.16 CC(C)[C@@H](N)C(=O)O C06417 [1,0,0,0,0,0|0,0,0]=1 47 B7R0.16 CC(C)[C@H](N)C(=O)O C00183 [1,0,0,0,0,0|0,0,0]=1 48 B7R0.16 CC(O)C(O)C(N)=O C11108 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O C12317 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O C00188 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O C00820 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.16 C[C@H](O)[C@H](N)C(=O)O C05519 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.16 NC(C(=O)O)C(=O)O C00872 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.16 [*]C([*])[C@H](N)C(=O)O C04313 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.16 [*][C@H](O)[C@@H]([*])C(=O)O C21645 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.6 C[C@H](CCN)[C@@H](N)C(=O)O C20277 [0,1,0,0,0,0|0,0,0]=1 57 B9R0.27 O=C(CO)C(O)C(O)CO C05052 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.27 [*]SC(=O)[C@@H](N)[C@H](C)CC C21098 [0,1,0,0,0,0|0,1,0]=2 59 B9R0.29 CC[C@H](C)[C@H](NO)C(=O)O C20310 [0,1,0,0,0,0|0,0,0]=1 60 B9R0.32 CC(C)(C=O)[C@@H](O)C(=O)O C01053 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.32 CC(C)(CO)C(=O)C(=O)O C00966 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O C00522 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.32 CCC(C)(O)C(=O)C(=O)O C04237 [0,1,0,0,0,0|1,0,1]=3 64 B9R0.32 CCC(C)(O)C(O)C(=O)O C04104 [0,1,0,0,0,0|1,0,0]=2 65 B9R0.32 CC[C@@](C)(O)C(=O)C(=O)O C14463 [0,1,0,0,0,0|1,0,1]=3 66 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O C06007 [0,1,0,0,0,0|1,0,0]=2 67 B9R0.79 C[C@@H](C(=O)O)[C@@H](O)C(=O)O C06031 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.79 C[C@H](C(=O)O)[C@@H](O)C(=O)O C06032 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O C03618 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.79 C[C@H](C(=O)O)[C@H](O)C(=O)O C06029 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O C20802 [0,1,0,0,0,0|0,0,0]=1 72 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O C20631 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O C19813 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O C19838 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O C03961 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O C11511 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O C05147 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O C19706 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.45 C=C1CC1C(N)C(=O)O C08292 [0,0,0,1,0,0|0,0,2]=3 80 B9R0.42 CCC(O)CC(=O)C(=O)O C06762 [0,0,0,0,0,1|2,0,1]=4 81 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O C05938 [0,0,0,0,0,1|2,0,1]=4 82 B6R0.1 CC[C@H](C)\C=N/O C20312 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.1 CC[C@H](C)\C=N\O C19491 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.2 CC(=O)CC(=O)O C00164 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.2 CC(=O)CC(C)C C19263 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.2 CC(C)CC(=O)O C08262 [2,0,0,0,0,0|0,0,0]=2 87 B6R0.2 CC(O)CC(N)=O C11109 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.2 CN(C)CC(=O)O C01026 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.2 C[C@@H](O)CC(=O)O C01089 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.2 C[C@H](O)CC(=O)O C03197 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.2 C[S+](C)CC(=O)O C03392 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.2 [*]C(O)CC(=O)O C03834 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.4 CCCCC(=O)O C00803 [2,0,0,0,0,0|0,0,0]=2 94 B6R0.4 CCCCC(N)=O C01842 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 CCCOC(N)=O C19514 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.4 CCNCC(=O)O C11735 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.4 CSCCC(=O)O C08276 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.4 NCCCC(=O)O C00334 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 O=C(O)CCCO C00989 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.4 O=C(O)CCCO C01991 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.4 O=C(O)CCCS C21736 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 O=CCCC(=O)O C00232 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.3 CC(CN)C(=O)O C05145 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.3 CC(CO)C(=O)O C01188 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.3 CCC(=N)C(=O)O C20905 [2,0,0,0,0,0|0,0,2]=4 106 B6R0.3 CCC(=O)C(=O)O C00109 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.3 CCC(C)C(=O)O C18319 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.3 CC[C@@H](N)C(=O)O C02261 [2,0,0,0,0,0|0,0,0]=2 109 B6R0.3 CC[C@H](N)C(=O)O C02356 [2,0,0,0,0,0|0,0,0]=2 110 B6R0.3 CC[C@H](O)C(=O)O C05984 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.3 CN[C@@H](C)C(=O)O C02721 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 C[C@@H](CN)C(=O)O C03284 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 C[C@@H](CO)C(=O)O C06001 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 C[C@H](CN)C(=O)O C01205 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.3 C\C=C(/N)C(=O)O C17234 [2,0,0,0,0,0|0,0,2]=4 116 B6R0.3 NC(CO)C(=O)O C00716 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[*]C[C@H](N)C(=O)O C01021 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.3 [*][C@H](NC)C(=O)O C03148 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.3 [SeH]C[C@H](N)C(=O)O C05688 [2,0,0,0,0,0|1,0,0]=3 137 B8R0.5 CCCC(=O)CC(=O)O C02122 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.16 CCN(CC)CC(=O)O C16647 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.23 C=C(CC(=O)O)C(C)C C11950 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.23 CC(C)C(=O)CC(=O)O C03467 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.23 CC(C)[C@H](N)CC(=O)O C02486 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.8 CCCCC(=O)C(=O)O C00902 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.8 CCCC[C@H](N)C(=O)O C01933 [1,1,0,0,0,0|0,0,0]=2 144 B8R0.8 CSCCC(=O)C(=O)O C01180 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.8 CSCCC(N)C(=O)O C01733 [1,1,0,0,0,0|0,0,0]=2 146 B8R0.8 CSCC[C@@H](N)C(=O)O C00855 [1,1,0,0,0,0|0,0,0]=2 147 B8R0.8 CSCC[C@H](N)C(=O)O C00073 [1,1,0,0,0,0|0,0,0]=2 148 B8R0.8 C[Se]CC[C@H](N)C(=O)O C05335 [1,1,0,0,0,0|0,0,0]=2 149 B8R0.8 N#CCCC(N)C(=O)O C05717 [1,1,0,0,0,0|0,0,1]=3 150 B8R0.8 NCCCC(=O)C(=O)O C01110 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.8 NCCCC(N)C(=O)O C01602 [1,1,0,0,0,0|0,0,0]=2 152 B8R0.8 NCCC[C@@H](N)C(=O)O C00515 [1,1,0,0,0,0|0,0,0]=2 153 B8R0.8 NCCC[C@@H](N)C(=O)O C11320 [1,1,0,0,0,0|0,0,0]=2 154 B8R0.8 NCCC[C@H](N)C(=O)O C00077 [1,1,0,0,0,0|0,0,0]=2 155 B8R0.8 NOCC[C@H](N)C(=O)O C08270 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.8 N[C@@H](CCC=O)C(=O)O C01165 [1,1,0,0,0,0|0,0,1]=3 157 B8R0.18 CC(C)[C@H](NO)C(=O)O C20313 [1,1,0,0,0,0|0,0,0]=2 158 B8R0.27 CC(C)(O)C(=O)C(=O)O C04181 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.27 CC(C)(O)C(O)C(=O)O C04039 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O C04272 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O C07418 [1,1,0,0,0,0|0,0,0]=2 162 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O C06234 [0,1,0,0,0,1|1,0,1]=4 163 B10R0.30 CCCC(C(=O)O)C(O)CC C16651 [0,2,0,0,0,0|2,0,0]=4 164 B10R0.76 CCC(C(=O)O)C(O)C(=O)O C01989 [0,2,0,0,0,0|1,0,1]=4 165 B10R0.118 CC[C@H](C)[C@@H](C(=O)O)N(O)O C20311 [0,2,0,0,0,0|0,0,0]=2 166 B8R1.4 O=C1CCCC(O)C1 C03228 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.5 O=C1CCCCC1O C01147 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.7 NC(=O)[C@@H]1CCCN1 C19781 [1,0,0,1,0,0|1,0,0]=3 169 B8R1.7 O=C(O)C1=NCCC1 C03564 [1,0,0,1,0,0|0,0,2]=4 170 B8R1.7 O=C(O)C1CCC=N1 C04322 [1,0,0,1,0,0|0,0,2]=4 171 B8R1.7 O=C(O)C1CCCN1 C16435 [1,0,0,1,0,0|0,0,0]=2 172 B8R1.7 O=C(O)C1CCCS1 C11074 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [1,0,0,1,0,0|0,0,0]=2 174 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [1,0,0,1,0,0|0,0,0]=2 175 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [1,0,0,1,0,0|0,0,2]=4 176 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O C08287 [0,0,0,1,0,1|0,0,2]=4 177 B10R1.34 O=C1O[C@@H](CO)[C@@H](O)[C@@H]1O C02994 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.34 O=C1O[C@@H](CO)[C@H](O)[C@H]1O C01114 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@@H]1O C00652 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@H]1O C02753 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.119 O=C1OC[C@@H](O)[C@H](O)[C@H]1O C02266 [0,1,0,1,0,0|2,0,0]=4 182 B10R1.119 O=C1OC[C@H](O)[C@H](O)[C@H]1O C05405 [0,1,0,1,0,0|2,0,0]=4 183 B10R0.82 NC[C@@H](O)CC[C@H](N)C(=O)O C16742 [0,0,0,0,0,2|2,0,0]=4 184 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O C16741 [0,0,0,0,0,2|2,0,0]=4