[
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    "molid": "mol26008",
    "smiles": "O=C(O)Cn1nnc(-c2cccc(Cl)c2)n1",
    "microspecies": [
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        "id": "-1_2",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -4.97,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]