[
  {
    "molid": "mol32915",
    "smiles": "COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12",
        "std_free_energy": -4.121833324432373,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c12",
        "std_free_energy": -8.956642150878906,
        "relative_population": 0.9983375317767434
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]