[
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    "molid": "mol13121",
    "smiles": "NC(CCC(=O)O)C(=O)O",
    "microspecies": [
      {
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    ],
    "macro_pka_values": [
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        "data_source": "Datawarrior"
      },
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        "pka_value": 4.07,
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        "pka_value": 2.08,
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        "pka_value": 2.0799999,
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        "pka_value": 2.155,
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        "pka_value": 2.16000008583069,
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        "pka_value": 9.33,
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]