[
  {
    "molid": "mol7658",
    "smiles": "Nn1cnnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nn1cnnc1",
        "std_free_energy": -7.4439849853515625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nn1cn[nH+]c1",
        "std_free_energy": 2.0011138916015625,
        "relative_population": 0.6395338207190425
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]n1cnnc1",
        "std_free_energy": 2.5744552612304688,
        "relative_population": 0.3604661792809576
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]