[
  {
    "molid": "mol24759",
    "smiles": "CCOc1ccccc1NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccccc1NN",
        "std_free_energy": -5.187032699584961,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1ccccc1[NH2+]N",
        "std_free_energy": -1.3076152801513672,
        "relative_population": 0.3202969340110897
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1ccccc1N[NH3+]",
        "std_free_energy": -2.0600228309631348,
        "relative_population": 0.6797030659889103
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.3600001335144,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]