[
  {
    "molid": "mol11518",
    "smiles": "CCOC(=O)c1cc(=O)c(O)c(C(=O)OCC)o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1cc(=O)c(O)c(C(=O)OCC)o1",
        "std_free_energy": -2.4144856929779053,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1cc(=O)c([O-])c(C(=O)OCC)o1",
        "std_free_energy": -4.5408830642700195,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]