[
  {
    "molid": "mol14429",
    "smiles": "COc1ccc(CC(C(C)=O)C(C)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(CC(C(C)=O)C(C)=O)cc1",
        "std_free_energy": -6.427854537963867,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(C[C-](C(C)=O)C(C)=O)cc1",
        "std_free_energy": 3.2617228031158447,
        "relative_population": 0.9530638646382016
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]