[
  {
    "molid": "mol8870",
    "smiles": "Cc1ccccc1N(C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1N(C)N",
        "std_free_energy": -5.01826810836792,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1[NH+](C)N",
        "std_free_energy": -2.8282787799835205,
        "relative_population": 0.5306037884118725
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccccc1N(C)[NH3+]",
        "std_free_energy": -2.7057104110717773,
        "relative_population": 0.46939621158812744
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.28999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]