[
  {
    "molid": "mol35066",
    "smiles": "CC(C)C(NC(=O)c1ccccc1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)[C@H](NC(=O)c1ccccc1)P(=O)([O-])O",
        "std_free_energy": -12.056495666503906,
        "relative_population": 0.9999662325154322
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)[C@H](NC(=O)c1ccccc1)P(=O)([O-])[O-]",
        "std_free_energy": -11.57443618774414,
        "relative_population": 0.9998830027713493
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.17000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]