[
  {
    "molid": "mol15454",
    "smiles": "Cc1cc(C(CC(=O)O)c2ccccc2)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc([C@H](CC(=O)O)c2ccccc2)ccc1O",
        "std_free_energy": -4.348933219909668,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([C@H](CC(=O)[O-])c2ccccc2)ccc1O",
        "std_free_energy": -8.885431289672852,
        "relative_population": 0.9996788156766276
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.6700001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.67000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]