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    "molid": "mol25775",
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    "macro_pka_values": [
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        "pka_value": 9.96,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
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        "pka_value": 4.71,
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        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
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    ]
  }
]