[
  {
    "molid": "mol28958",
    "smiles": "C[N+](C)(C)CCOCP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)CCOCP(=O)([O-])O",
        "std_free_energy": -11.154217720031738,
        "relative_population": 0.9999030780648029
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)CCOCP(=O)(O)O",
        "std_free_energy": -1.0492274761199951,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]