[
  {
    "molid": "mol28886",
    "smiles": "COP(C)(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[P@@](C)(=O)O",
        "std_free_energy": -2.3415637016296387,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[P@@](C)(=O)[O-]",
        "std_free_energy": -11.338020324707031,
        "relative_population": 0.9999999441221142
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.36999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.60000002384186,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]