[
  {
    "molid": "mol8300",
    "smiles": "CCOc1nc2cncnc2n1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1nc2cncnc2n1C",
        "std_free_energy": -7.542505264282227,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1[nH+]c2cncnc2n1C",
        "std_free_energy": 2.676816940307617,
        "relative_population": 0.1923050941735959
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1nc2c[nH+]cnc2n1C",
        "std_free_energy": 1.8159078359603882,
        "relative_population": 0.4548611681079754
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCOc1nc2cnc[nH+]c2n1C",
        "std_free_energy": 2.0699031352996826,
        "relative_population": 0.35283373771842885
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]