[
  {
    "molid": "mol25268",
    "smiles": "Cc1cnn(C)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cnn(C)c1O",
        "std_free_energy": -6.8573431968688965,
        "relative_population": 0.9999901420751753
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c[nH+]n(C)c1O",
        "std_free_energy": 3.353147029876709,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]