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Z813019058 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [2,0,0,0,0,0|0,0,1]=3 64 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.6 CC(=O)NCC(=O)O Z85886676 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [2,0,0,0,0,0|0,0,2]=4 70 B7R0.6 O=C(O)CCC(=O)O Z57127453 [2,0,0,0,0,0|0,0,0]=2 71 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO Z1201619244 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO Z1255438834 [1,1,0,0,0,0|0,0,2]=4 73 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO Z1255372712 [1,1,0,0,0,0|0,0,2]=4 74 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [1,1,0,0,0,0|0,0,0]=2 78 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,1,0,0,0,0|1,0,0]=3 83 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|2,0,0]=4 88 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [1,1,0,0,0,0|0,0,2]=4 90 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [1,1,0,0,0,0|1,0,0]=3 92 B11R0.58 CCOC(=O)C(O)C(C)C(=O)C Z1513682752 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO Z1255372738 [0,2,0,0,0,0|0,0,2]=4 94 B11R0.198 CC(O)(C(=O)O)C(C)(O)C(=O)O Z1262511826 [0,2,0,0,0,0|0,0,0]=2 95 B11R0.198 O=C(O)C(F)(F)C(F)(F)C(=O)O Z1203162147 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|1,1,0]=4 100 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|1,0,0]=3 109 B11R1.21 O=C(O)[C@H]1C[C@@H]([C@@H](CO1)O)O Z3664725069 [0,0,0,1,0,1|1,0,1]=4 110 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,1,0,1|2,0,0]=4 111 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,1,0,1|2,0,0]=4 112 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,1,0,1|2,0,0]=4 113 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,1,0,1|2,0,0]=4 114 B11R1.1389 N[C@@]1(C[C@@H](C1)C(=O)O)C(=O)O Z1270392248 [0,0,0,1,0,1|2,0,0]=4 115 B11R1.1389 O=C(O)[C@H]1C[C@](C1)(O)C(=O)O Z3271169452 [0,0,0,1,0,1|1,0,0]=3 116 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.178 O=C(O)C1COCC1C(=O)O Z1262521635 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Z2307407859 [0,1,0,1,0,0|2,0,0]=4 119 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,1|2,0,0]=4 120 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [1,0,0,0,0,1|2,0,0]=4 121 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [1,0,0,0,0,1|2,0,0]=4 122 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [1,0,0,0,0,1|2,0,0]=4 123 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,0,0,0,0,1|1,0,0]=3 124 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,0,0,0,0,1|1,0,0]=3 125 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,0,0,0,0,1|1,0,0]=3 126 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [1,0,0,0,0,1|0,0,2]=4 127 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [1,0,0,0,0,1|0,0,2]=4 128 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [1,0,0,0,0,1|1,0,1]=4 129 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,0,0,0,0,1|1,0,0]=3 130 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,0,0,0,0,1|2,0,0]=4 131 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,0,0,0,0,1|2,0,0]=4 132 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,0,0,0,0,1|0,0,0]=2 133 B11R0.150 CC(SC[C@H](N)C(=O)O)C(=O)O Z4607373725 [0,0,0,0,0,2|2,0,0]=4