[
  {
    "molid": "mol23043",
    "smiles": "C[N+](C)(C)c1cc(C(=O)O)cc([N+](C)(C)C)c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)c1cc(C(=O)[O-])cc([N+](C)(C)C)c1",
        "std_free_energy": -10.037069320678711,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[N+](C)(C)c1cc(C(=O)O)cc([N+](C)(C)C)c1",
        "std_free_energy": 0.4652611017227173,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.25,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]