[
  {
    "molid": "mol1187",
    "smiles": "Cc1ccccc1N[C@H]1CCc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1N[C@H]1CCc2ccccc21",
        "std_free_energy": -6.340114116668701,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1[NH2+][C@H]1CCc2ccccc21",
        "std_free_energy": 0.4503662586212158,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.83,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]