[
  {
    "molid": "mol25213",
    "smiles": "Nn1cccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nn1cccn1",
        "std_free_energy": -6.985077857971191,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nn1ccc[nH+]1",
        "std_free_energy": -0.2616974711418152,
        "relative_population": 0.3539924471398495
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]n1cccn1",
        "std_free_energy": -0.8632330894470215,
        "relative_population": 0.6460075528601504
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]