[
  {
    "molid": "mol12514",
    "smiles": "CC(=O)C1C(=O)OC(=O)C=C1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)[C@@H]1C(=O)OC(=O)C=C1C",
        "std_free_energy": -0.506757378578186,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[c-]1c(C)cc(=O)oc1=O",
        "std_free_energy": -13.113686561584473,
        "relative_population": 0.9999492241954101
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]