[
  {
    "molid": "mol31624",
    "smiles": "O/N=C/c1cccc[n+]1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]/N=C/c1cccc[n+]1Cc1ccccc1",
        "std_free_energy": -3.269387722015381,
        "relative_population": 0.9958160537775854
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O/N=C/c1cccc[n+]1Cc1ccccc1",
        "std_free_energy": -5.927123069763184,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]