[
  {
    "molid": "mol30618",
    "smiles": "COc1c(C)c(O)c(C)c(C)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1c(C)c(O)c(C)c(C)c1[O-]",
        "std_free_energy": 1.2852885723114014,
        "relative_population": 0.5478386239389487
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1c(C)c([O-])c(C)c(C)c1O",
        "std_free_energy": 1.477230191230774,
        "relative_population": 0.4521613760610513
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1c(C)c([O-])c(C)c(C)c1[O-]",
        "std_free_energy": 14.933302879333496,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]