[
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    "molid": "mol32981",
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    "microspecies": [
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        "id": "-2_1",
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        "smiles": "O=C([O-])[C@H]1CCC[C@H]1C(=O)[O-]",
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        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
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        "pka_value": 3.89000010490417,
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        "data_source": "QSARToolbox"
      },
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        "pka_value": 3.92000007629395,
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        "pka_value": 4.3,
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        "data_source": "OCHEM"
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        "pka_value": 5.5,
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        "pka_value": 4.36999988555908,
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]