[
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    "molid": "mol12533",
    "smiles": "O=C1O[C@@H]([C@H](O)CO)C(O)=C1O",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "O=C1O[C@@H]([C@H](O)CO)C(O)=C1O",
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      },
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        "smiles": "O=C1O[C@@H]([C@H]([O-])CO)C([O-])=C1[O-]",
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        "smiles": "O=C1O[C@@H]([C@H](O)C[O-])C([O-])=C1[O-]",
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        "id": "-1_1",
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        "smiles": "O=C1O[C@@H]([C@H](O)CO)C(O)=C1[O-]",
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        "id": "-1_2",
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        "smiles": "O=C1O[C@@H]([C@H](O)CO)C([O-])=C1O",
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        "relative_population": 0.8121469374065208
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        "id": "-2_1",
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        "smiles": "O=C1O[C@@H]([C@H](O)CO)C([O-])=C1[O-]",
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        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.61,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "Datawarrior"
      }
    ]
  }
]