[
  {
    "molid": "mol7826",
    "smiles": "c1cc2c(cn1)CCCN2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2c(cn1)CCCN2",
        "std_free_energy": -3.437706470489502,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2c(cn1)CCC[NH2+]2",
        "std_free_energy": -7.983835220336914,
        "relative_population": 0.2704604636204409
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc2c(c[nH+]1)CCCN2",
        "std_free_energy": -8.976122856140137,
        "relative_population": 0.7295395363795592
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.19,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]