[
  {
    "molid": "mol10454",
    "smiles": "CCC(C(=O)O)=C(CC)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(C(=O)O)=C(CC)C(=O)O",
        "std_free_energy": -0.622343897819519,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(C(=O)[O-])=C(CC)C(=O)O",
        "std_free_energy": -9.470006942749023,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCC(C(=O)[O-])=C(CC)C(=O)[O-]",
        "std_free_energy": -12.042119979858398,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]