[
  {
    "molid": "mol8857",
    "smiles": "COc1cccc(NN)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(NN)c1",
        "std_free_energy": -5.519423484802246,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc(N[NH3+])c1",
        "std_free_energy": -2.138902187347412,
        "relative_population": 0.6936531439475664
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc([NH2+]N)c1",
        "std_free_energy": -1.321648120880127,
        "relative_population": 0.3063468560524336
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]