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    "macro_pka_values": [
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        "pka_value": 3.95,
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        "data_source": "Datawarrior"
      },
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        "pka_value": 6.87,
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        "data_source": "Datawarrior"
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        "pka_value": 6.8699999,
        "charge_state_pre": -1,
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        "data_source": "OCHEM"
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        "pka_value": 6.86999988555908,
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        "charge_state_post": -2,
        "data_source": "QSARToolbox"
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    ]
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]