[
  {
    "molid": "mol4097",
    "smiles": "Cc1ncncc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncncc1N",
        "std_free_energy": -8.163511276245117,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ncncc1[NH3+]",
        "std_free_energy": 0.884070873260498,
        "relative_population": 0.2751545206144576
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]cncc1N",
        "std_free_energy": 0.3955981433391571,
        "relative_population": 0.4484537537056876
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc[nH+]cc1N",
        "std_free_energy": 0.879584550857544,
        "relative_population": 0.27639172567985465
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.1500001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]