[
  {
    "molid": "mol10890",
    "smiles": "CCOc1ccc(C(=O)O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(C(=O)O)c(O)c1",
        "std_free_energy": -3.1790566444396973,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOc1ccc(C(=O)[O-])c(O)c1",
        "std_free_energy": -10.267366409301758,
        "relative_population": 0.9999413598862884
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.20000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]