[
  {
    "molid": "mol30784",
    "smiles": "O=C1CCCc2c1c(O)c1c(O)cccc1c2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCCc2c1c(O)c1c(O)cccc1c2O",
        "std_free_energy": -4.251866340637207,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CCCc2c1c([O-])c1c(O)cccc1c2O",
        "std_free_energy": -2.5990042686462402,
        "relative_population": 0.43144394282666726
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CCCc2c1c(O)c1c([O-])cccc1c2O",
        "std_free_energy": -2.207030773162842,
        "relative_population": 0.2915361740343373
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1CCCc2c1c(O)c1c(O)cccc1c2[O-]",
        "std_free_energy": -2.1534552574157715,
        "relative_population": 0.2763280034811299
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]