[
  {
    "molid": "mol8858",
    "smiles": "COc1ccc(NN)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NN)cc1",
        "std_free_energy": -4.7419328689575195,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc([NH2+]N)cc1",
        "std_free_energy": -1.8489116430282593,
        "relative_population": 0.4676639881926893
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(N[NH3+])cc1",
        "std_free_energy": -1.9784364700317383,
        "relative_population": 0.5323360118073106
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.71,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.71000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]