[
  {
    "molid": "mol35271",
    "smiles": "NCC[C@@H](C(=O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+]CC[C@@H](C(=O)[O-])P(=O)([O-])O",
        "std_free_energy": -13.07302188873291,
        "relative_population": 0.7627089812730866
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+]CC[C@@H](C(=O)O)P(=O)([O-])[O-]",
        "std_free_energy": -11.899660110473633,
        "relative_population": 0.23592519076060936
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[NH3+]CC[C@@H](C(=O)[O-])P(=O)([O-])[O-]",
        "std_free_energy": -14.727727890014648,
        "relative_population": 0.9989932048450244
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]