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    "macro_pka_values": [
      {
        "pka_value": 1.9,
        "charge_state_pre": 1,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 1.89999997615814,
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        "data_source": "QSARToolbox"
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        "pka_value": 9.84,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 5.1,
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        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
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]