[
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    "molid": "mol26009",
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        "id": "2_5",
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        "id": "-1_1",
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        "smiles": "O=C([O-])Cn1nnc(-c2ccc(Cl)cc2)n1",
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    "macro_pka_values": [
      {
        "pka_value": 3.30999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -4.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]