[
  {
    "molid": "mol33250",
    "smiles": "CCCc1cnccc1N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1cnccc1N(C)C",
        "std_free_energy": -3.771078586578369,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCc1cnccc1[NH+](C)C",
        "std_free_energy": -8.38155460357666,
        "relative_population": 0.11265280720651395
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCc1c[nH+]ccc1N(C)C",
        "std_free_energy": -10.445480346679688,
        "relative_population": 0.8873471927934861
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]