[
  {
    "molid": "mol6633",
    "smiles": "Cc1nc(N)[nH]c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(N)[nH]c1C",
        "std_free_energy": -3.291388988494873,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc([NH3+])[nH]c1C",
        "std_free_energy": -7.711589813232422,
        "relative_population": 0.2934011209099914
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH]c(N)[nH+]c1C",
        "std_free_energy": -8.5905122756958,
        "relative_population": 0.7065988790900086
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.21,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]