[
  {
    "molid": "mol11663",
    "smiles": "CCOC(=O)C(C(C)=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@H](C(C)=O)c1ccccc1",
        "std_free_energy": -6.430378437042236,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)[C-](C(C)=O)c1ccccc1",
        "std_free_energy": 3.850172519683838,
        "relative_population": 0.999853463047216
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]