[
  {
    "molid": "mol4194",
    "smiles": "CCCCCCCn1cccnc1=N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCn1cccnc1=N",
        "std_free_energy": -0.3678600788116455,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCn1ccc[nH+]c1=N",
        "std_free_energy": -8.495275497436523,
        "relative_population": 0.34310503835347494
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCCn1cccnc1=[NH2+]",
        "std_free_energy": -9.144762992858887,
        "relative_population": 0.656894961646525
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.84,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]