[
  {
    "molid": "mol36670",
    "smiles": "COP(=O)(O)CC(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[P@@](=O)(O)CC(C)=O",
        "std_free_energy": -1.7515690326690674,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[P@@](=O)([O-])CC(C)=O",
        "std_free_energy": -11.586170196533203,
        "relative_population": 0.9999994541596602
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.699999988079071,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]