[
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    "molid": "mol12532",
    "smiles": "O=C1O[C@@H]([C@@H](O)CO)C(O)=C1O",
    "microspecies": [
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    ],
    "macro_pka_values": [
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        "pka_value": 4.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.5,
        "charge_state_pre": 0,
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        "data_source": "QSARToolbox"
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        "pka_value": 4.26,
        "charge_state_pre": 0,
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        "data_source": "AttenGpKa training set"
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        "pka_value": 11.33,
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        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]