[
  {
    "molid": "mol34158",
    "smiles": "NC(COP(=O)(O)Oc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](CO[P@@](=O)([O-])Oc1ccccc1)C(=O)O",
        "std_free_energy": -6.869779586791992,
        "relative_population": 0.30930143981751695
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@H](CO[P@@](=O)(O)Oc1ccccc1)C(=O)[O-]",
        "std_free_energy": -7.672818660736084,
        "relative_population": 0.6904581817270306
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+][C@H](CO[P@@](=O)([O-])Oc1ccccc1)C(=O)[O-]",
        "std_free_energy": -13.666413307189941,
        "relative_population": 0.9920177363371853
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]