[
  {
    "molid": "mol16033",
    "smiles": "Cc1cc(O)n[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)n[nH]1",
        "std_free_energy": -7.246323585510254,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(O)[nH+][nH]1",
        "std_free_energy": 2.738687038421631,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])n[nH]1",
        "std_free_energy": 3.260660409927368,
        "relative_population": 0.8980190512043607
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(O)n[n-]1",
        "std_free_energy": 5.436065673828125,
        "relative_population": 0.1019809487956394
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]