[
  {
    "molid": "mol28982",
    "smiles": "CC(=O)Nc1ccc(P(=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccc(P(=O)([O-])O)cc1",
        "std_free_energy": -12.378199577331543,
        "relative_population": 0.9999998414781799
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)Nc1ccc(P(=O)([O-])[O-])cc1",
        "std_free_energy": -12.22817325592041,
        "relative_population": 0.9999997776646271
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]