[
  {
    "molid": "mol31376",
    "smiles": "O=P(O)(O)OOP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)OOP(=O)(O)O",
        "std_free_energy": 3.7452898025512695,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])OOP(=O)(O)O",
        "std_free_energy": -13.181366920471191,
        "relative_population": 0.33015454631238494
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])(O)OOP(=O)([O-])O",
        "std_free_energy": -13.888853073120117,
        "relative_population": 0.669845453687615
      },
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])OOP(=O)([O-])[O-]",
        "std_free_energy": -13.984745025634766,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])OOP(=O)([O-])O",
        "std_free_energy": -15.084064483642578,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)OOP(=O)(O)O",
        "std_free_energy": -9.226451873779297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 0.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.67,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.18,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]