[
  {
    "molid": "mol38581",
    "smiles": "C[N+](C)(C)C(Cc1ccc(O)cc1)C(=O)[O-]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[N+](C)(C)[C@H](Cc1ccc(O)cc1)C(=O)[O-]",
        "std_free_energy": -12.230714797973633,
        "relative_population": 0.9999948983964653
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)[C@H](Cc1ccc(O)cc1)C(=O)O",
        "std_free_energy": -1.9844220876693726,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]