[
  {
    "molid": "mol9338",
    "smiles": "O=C[C@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C[C@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -6.462486267089844,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C[C-](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -3.0727005004882812,
        "relative_population": 0.9996671071075744
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@H](O)[C@H](O)C[O-]",
        "std_free_energy": 6.4370598793029785,
        "relative_population": 0.0662117049178176
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=C[C-]([O-])[C@H](O)[C@H](O)CO",
        "std_free_energy": 3.89375376701355,
        "relative_population": 0.8423228483115646
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 12.22,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.54,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.11,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]