[
  {
    "molid": "mol30650",
    "smiles": "Cc1c(CO)cc(O)c2c(O)cccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(CO)cc(O)c2c(O)cccc12",
        "std_free_energy": -6.696154594421387,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c(CO)cc([O-])c2c(O)cccc12",
        "std_free_energy": -2.3286166191101074,
        "relative_population": 0.4942347957448964
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1c(CO)cc(O)c2c([O-])cccc12",
        "std_free_energy": -2.351654529571533,
        "relative_population": 0.5057531021357452
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]