[
  {
    "molid": "mol36949",
    "smiles": "O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -1.9016005992889404,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -11.842087745666504,
        "relative_population": 0.9999999644076619
      },
      {
        "id": "-2_11",
        "charge": -2,
        "smiles": "O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -11.800142288208008,
        "relative_population": 0.9999996548896822
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.17000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]