[
  {
    "molid": "mol33052",
    "smiles": "O=C(O)CCCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -2.468376636505127,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -8.134615898132324,
        "relative_population": 0.2510018838525695
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      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)CCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.22789192199707,
        "relative_population": 0.7489981161474305
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      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -10.035331726074219,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.30999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.61,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.3899998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]