[
  {
    "molid": "mol29926",
    "smiles": "CCOP(=O)(O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCO[P@](=O)([O-])O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO",
        "std_free_energy": -10.827014923095703,
        "relative_population": 0.9999781936145834
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CCO[P@](=O)([O-])O[C@H]1C[C@H](n2cc(C)c(=O)[n-]c2=O)O[C@@H]1CO",
        "std_free_energy": 0.07626431435346603,
        "relative_population": 0.9916320913127347
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.92,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]