[
  {
    "molid": "mol14128",
    "smiles": "CCOC(=O)C1CCCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@H]1CCCC1=O",
        "std_free_energy": -6.490204334259033,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)[C@H]1CC[CH-]C1=O",
        "std_free_energy": 4.736846923828125,
        "relative_population": 0.4100056195664934
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)[C-]1CCCC1=O",
        "std_free_energy": 4.3729047775268555,
        "relative_population": 0.5899943804335066
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]