[
  {
    "molid": "mol23849",
    "smiles": "CC(=O)CC(=O)Nc1ccccc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)CC(=O)Nc1ccccc1C",
        "std_free_energy": -6.757610321044922,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)CC(=O)[N-]c1ccccc1C",
        "std_free_energy": 3.540130853652954,
        "relative_population": 0.11425980991833118
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)[CH-]C(=O)Nc1ccccc1C",
        "std_free_energy": 1.512923002243042,
        "relative_population": 0.8675583233738416
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]