[
  {
    "molid": "mol14101",
    "smiles": "CC1C(=O)CC(C)(C)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1C(=O)CC(C)(C)CC1=O",
        "std_free_energy": -4.096248626708984,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C-]1C(=O)CC(C)(C)CC1=O",
        "std_free_energy": -6.57635498046875,
        "relative_population": 0.9999983329080016
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.5999999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]