[
  {
    "molid": "mol34319",
    "smiles": "NC(CCP(=O)(O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](CCP(=O)([O-])O)C(=O)O",
        "std_free_energy": -5.349309921264648,
        "relative_population": 0.10881291477357653
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@H](CCP(=O)(O)O)C(=O)[O-]",
        "std_free_energy": -7.451963424682617,
        "relative_population": 0.8909457444631177
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "[NH3+][C@H](CCP(=O)([O-])O)C(=O)[O-]",
        "std_free_energy": -12.67686653137207,
        "relative_population": 0.9876467959203225
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.51999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]