[
  {
    "molid": "mol31349",
    "smiles": "O=P(O)(O)OO",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)OO",
        "std_free_energy": -11.682943344116211,
        "relative_population": 0.9961760050115508
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])OO",
        "std_free_energy": -13.712553977966309,
        "relative_population": 0.9999991490485721
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.85,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]