[
  {
    "molid": "mol32982",
    "smiles": "O=C(O)CC1CCCC1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@H]1CCC[C@H]1C(=O)O",
        "std_free_energy": -2.502718687057495,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C[C@H]1CCC[C@H]1C(=O)[O-]",
        "std_free_energy": -8.253490447998047,
        "relative_population": 0.4706501204198843
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H]1CCC[C@H]1C(=O)O",
        "std_free_energy": -8.371025085449219,
        "relative_population": 0.5293498795801156
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C[C@H]1CCC[C@H]1C(=O)[O-]",
        "std_free_energy": -10.041645050048828,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.67000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]