[
  {
    "molid": "mol21594",
    "smiles": "CCCN1CCN(c2cccc(C(N)=O)c2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN1CCN(c2cccc(C(N)=O)c2)CC1",
        "std_free_energy": -5.279408931732178,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+]1CCN(c2cccc(C(N)=O)c2)CC1",
        "std_free_energy": -8.780508041381836,
        "relative_population": 0.989657229929068
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.76,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]