[
  {
    "molid": "mol14114",
    "smiles": "CC(=O)c1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1ccc(O)c(O)c1",
        "std_free_energy": -6.013637065887451,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1ccc(O)c([O-])c1",
        "std_free_energy": -1.7940782308578491,
        "relative_population": 0.2682805864382556
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)c1ccc([O-])c(O)c1",
        "std_free_energy": -2.7974419593811035,
        "relative_population": 0.7317194135617444
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.8000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.80000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]