[
  {
    "molid": "mol14956",
    "smiles": "CCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1",
        "std_free_energy": -2.811732053756714,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+]1C=CC(=CC=C2C=CC(=O)C=C2)C=C1",
        "std_free_energy": -7.275617599487305,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]