[
  {
    "molid": "mol23909",
    "smiles": "CC(=O)CC(=O)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)CC(=O)Nc1ccc(Cl)cc1",
        "std_free_energy": -6.553459644317627,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)CC(=O)[N-]c1ccc(Cl)cc1",
        "std_free_energy": 4.000596046447754,
        "relative_population": 0.05322116619267267
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[CH-]C(=O)Nc1ccc(Cl)cc1",
        "std_free_energy": 1.1500483751296997,
        "relative_population": 0.9205799476368587
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]