[
  {
    "molid": "mol28898",
    "smiles": "CCOCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOCP(=O)(O)O",
        "std_free_energy": -1.0268330574035645,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOCP(=O)([O-])O",
        "std_free_energy": -12.359258651733398,
        "relative_population": 0.9999637028002455
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CCOCP(=O)([O-])[O-]",
        "std_free_energy": -12.393902778625488,
        "relative_population": 0.999999961254393
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.01999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.02,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]