[
  {
    "molid": "mol11260",
    "smiles": "CCOC(=O)C(=O)C(OCC)C(=O)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)C(=O)[C@H](OCC)C(=O)OCC",
        "std_free_energy": -3.5480446815490723,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)C(=O)[C-](OCC)C(=O)OCC",
        "std_free_energy": -3.1126556396484375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]