[
  {
    "molid": "mol35534",
    "smiles": "Nc1ccc([PH](=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc([P@@H](=O)O)cc1",
        "std_free_energy": -2.932805061340332,
        "relative_population": 0.19836032554474095
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]c1ccc([P@@H](=O)[O-])cc1",
        "std_free_energy": -4.329379081726074,
        "relative_population": 0.801639674455259
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc([P@@H](=O)[O-])cc1",
        "std_free_energy": -12.318221092224121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]