[
  {
    "molid": "mol33072",
    "smiles": "COC(=O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -3.4790782928466797,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.37940788269043,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]