[
  {
    "molid": "mol12543",
    "smiles": "CC1C(=O)OC(C(C)(C)C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1C(=O)O[C@@H](C(C)(C)C)C1=O",
        "std_free_energy": -3.226512908935547,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C-]1C(=O)O[C@@H](C(C)(C)C)C1=O",
        "std_free_energy": -7.521022796630859,
        "relative_population": 0.9864281285045235
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.8400002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]