[
  {
    "molid": "mol26809",
    "smiles": "CCC1C(=O)CC(=O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H]1C(=O)CC(=O)C1=O",
        "std_free_energy": -2.0108821392059326,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H]1C(=O)[CH-]C(=O)C1=O",
        "std_free_energy": -9.363929748535156,
        "relative_population": 0.8591507512209658
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C-]1C(=O)CC(=O)C1=O",
        "std_free_energy": -7.555675506591797,
        "relative_population": 0.1408492487790342
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]