[
  {
    "molid": "mol30575",
    "smiles": "COc1c(C)c(O)cc(C)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1c(C)c([O-])cc(C)c1O",
        "std_free_energy": 1.2270030975341797,
        "relative_population": 0.4723461532608275
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1c(C)c(O)cc(C)c1[O-]",
        "std_free_energy": 1.1162747144699097,
        "relative_population": 0.5276538467391725
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1c(C)c([O-])cc(C)c1[O-]",
        "std_free_energy": 13.992293357849121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]