[
  {
    "molid": "mol23398",
    "smiles": "Cc1ccccc1NC(C)(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1NC(C)(C)C(=O)O",
        "std_free_energy": -3.472484588623047,
        "relative_population": 0.1397270596735982
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccccc1[NH2+]C(C)(C)C(=O)[O-]",
        "std_free_energy": -5.290043354034424,
        "relative_population": 0.8602729403264018
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccccc1NC(C)(C)C(=O)[O-]",
        "std_free_energy": -6.523292541503906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]