[
  {
    "molid": "mol25391",
    "smiles": "Cn1cc(-c2ccccc2)nn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc(-c2ccccc2)nn1",
        "std_free_energy": -7.292062759399414,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc(-c2ccccc2)[nH+]n1",
        "std_free_energy": 6.282243251800537,
        "relative_population": 0.19594197986542355
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cc(-c2ccccc2)n[nH+]1",
        "std_free_energy": 4.87039041519165,
        "relative_population": 0.8040580201345765
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.05,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]