[
  {
    "molid": "mol35008",
    "smiles": "CC(C)(C)C(=O)NC(c1ccccc1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)C(=O)N[C@@H](c1ccccc1)P(=O)([O-])O",
        "std_free_energy": -12.059377670288086,
        "relative_population": 0.9999791141974078
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "CC(C)(C)C(=O)N[C@@H](c1ccccc1)P(=O)([O-])[O-]",
        "std_free_energy": -11.495929718017578,
        "relative_population": 0.999915091658265
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.46000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]