[
  {
    "molid": "mol7899",
    "smiles": "CN(C)c1ncc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ncc2ccccc2n1",
        "std_free_energy": -6.502142429351807,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1ncc2ccccc2n1",
        "std_free_energy": -1.9067449569702148,
        "relative_population": 0.298582014958738
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ncc2ccccc2[nH+]1",
        "std_free_energy": -2.2090446949005127,
        "relative_population": 0.4039715238692846
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1nc2ccccc2c[nH+]1",
        "std_free_energy": -1.9029345512390137,
        "relative_population": 0.2974464611719775
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]