[
  {
    "molid": "mol29958",
    "smiles": "CCOP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCO[P@@](=O)([O-])O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO",
        "std_free_energy": -10.862540245056152,
        "relative_population": 0.9999729861649903
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "CCO[P@@](=O)([O-])O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[n-]c2=O)O[C@@H]1CO",
        "std_free_energy": -0.5758362412452698,
        "relative_population": 0.9781916490041833
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.65,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]