[
  {
    "molid": "mol31147",
    "smiles": "CC(=O)C(C(C)=O)=C(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(C(C)=O)=C(C)O",
        "std_free_energy": -2.633240222930908,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C(O)=C(C(C)=O)C(C)=O",
        "std_free_energy": -1.2865209579467773,
        "relative_population": 0.05381830413693554
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)C(C(C)=O)=C(C)[O-]",
        "std_free_energy": -4.143496513366699,
        "relative_population": 0.9369118400178769
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.81,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]