[
  {
    "molid": "mol26871",
    "smiles": "CC(=O)C(Br)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(Br)C(C)=O",
        "std_free_energy": -2.9598610401153564,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(Br)C(C)=O",
        "std_free_energy": -1.2279266119003296,
        "relative_population": 0.18141612906725063
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[C-](Br)C(C)=O",
        "std_free_energy": -2.7347090244293213,
        "relative_population": 0.8185838709327493
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]