[
  {
    "molid": "mol27199",
    "smiles": "CC(=O)NC(=O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)NC(=O)C(F)(F)F",
        "std_free_energy": -5.1666107177734375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)NC(=[OH+])C(F)(F)F",
        "std_free_energy": 12.894742012023926,
        "relative_population": 0.08475596879785831
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=[OH+])NC(=O)C(F)(F)F",
        "std_free_energy": 10.515327453613281,
        "relative_population": 0.9152440312021417
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]