[
  {
    "molid": "mol7988",
    "smiles": "Cn1cnc2ccncc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc2ccncc21",
        "std_free_energy": -7.069318771362305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c[nH+]c2ccncc21",
        "std_free_energy": -2.615346670150757,
        "relative_population": 0.6104756366007117
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cnc2cc[nH+]cc21",
        "std_free_energy": -2.166034698486328,
        "relative_population": 0.3895243633992883
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.77,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]