[
  {
    "molid": "mol28932",
    "smiles": "O=C(O)C(O)COP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@H](O)COP(=O)(O)O",
        "std_free_energy": -0.3247032165527344,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H](O)COP(=O)(O)O",
        "std_free_energy": -8.825608253479004,
        "relative_population": 0.4590053873899198
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(O)[C@H](O)COP(=O)([O-])O",
        "std_free_energy": -8.989798545837402,
        "relative_population": 0.5409096393055605
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])[C@H](O)COP(=O)([O-])O",
        "std_free_energy": -14.249414443969727,
        "relative_population": 0.9277711791751422
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=C(O)[C@H](O)COP(=O)([O-])[O-]",
        "std_free_energy": -11.696465492248535,
        "relative_population": 0.07222860629465111
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.42,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]