[
  {
    "molid": "mol28959",
    "smiles": "C[N+](C)(C)CCOCP(=O)([O-])O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[N+](C)(C)CCOC[P@@](=O)([O-])O",
        "std_free_energy": -11.423053741455078,
        "relative_population": 0.9999259239188211
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[N+](C)(C)CCOCP(=O)([O-])[O-]",
        "std_free_energy": -13.273316383361816,
        "relative_population": 0.9999648055322284
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]