[
  {
    "molid": "mol30564",
    "smiles": "COc1ccc(O)c(C(C)=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(O)c(C(C)=O)c1",
        "std_free_energy": -7.124876976013184,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc([O-])c(C(C)=O)c1",
        "std_free_energy": 1.4059786796569824,
        "relative_population": 0.9999999941187617
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]