[
  {
    "molid": "mol15951",
    "smiles": "CC(O)=CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(O)=CC(=O)O",
        "std_free_energy": -3.1127355098724365,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(O)=CC(=O)[O-]",
        "std_free_energy": -9.521153450012207,
        "relative_population": 0.998993524415557
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC([O-])=CC(=O)[O-]",
        "std_free_energy": 5.697470664978027,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.0500002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.05000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.18,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]