[
  {
    "molid": "mol29370",
    "smiles": "C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]",
        "std_free_energy": -12.260746955871582,
        "relative_population": 0.9999948531716405
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)O",
        "std_free_energy": -1.9430698156356812,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.475,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]