[
  {
    "molid": "mol7923",
    "smiles": "c1ncc2c(n1)CCCC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ncc2c(n1)CCCC2",
        "std_free_energy": -8.031282424926758,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1nc2c(c[nH+]1)CCCC2",
        "std_free_energy": 0.69352126121521,
        "relative_population": 0.41041452328170835
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ncc2c([nH+]1)CCCC2",
        "std_free_energy": 0.331269234418869,
        "relative_population": 0.5895854767182916
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]