[
  {
    "molid": "mol8279",
    "smiles": "Cn1cnc2c(Cl)ncnc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc2c(Cl)ncnc21",
        "std_free_energy": -7.201025485992432,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cnc2c(Cl)nc[nH+]c21",
        "std_free_energy": 6.680937767028809,
        "relative_population": 0.3511464314087054
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c[nH+]c2c(Cl)ncnc21",
        "std_free_energy": 6.615503311157227,
        "relative_population": 0.37489192177907166
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1cnc2c(Cl)[nH+]cnc21",
        "std_free_energy": 6.929152965545654,
        "relative_population": 0.2739616468122229
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]