[
  {
    "molid": "mol22197",
    "smiles": "C/C(O)=C/C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(O)=C/C(=O)O",
        "std_free_energy": -3.700742244720459,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(O)=C/C(=O)[O-]",
        "std_free_energy": -9.878926277160645,
        "relative_population": 0.9995286867074917
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C/C([O-])=C/C(=O)[O-]",
        "std_free_energy": 6.3274993896484375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.05000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 13.18,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]