[
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    "molid": "mol25752",
    "smiles": "Nc1cc(C(=O)O)nc(N)n1",
    "microspecies": [
      {
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      {
        "id": "1_9",
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        "id": "-1_2",
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        "relative_population": 0.9999999989595947
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]