[
  {
    "molid": "mol30121",
    "smiles": "CCOCOP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OP(=O)(O)OCC",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CCOCO[P@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[n-]c2=O)C[C@@H]1O[P@](=O)([O-])OCC",
        "std_free_energy": -0.6001171469688416,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CCOCO[P@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[P@](=O)([O-])OCC",
        "std_free_energy": -11.575404167175293,
        "relative_population": 0.9998667845198755
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.12,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]