[
  {
    "molid": "mol12459",
    "smiles": "CCCN(N)CCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN(N)CCC",
        "std_free_energy": -4.470884323120117,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+](N)CCC",
        "std_free_energy": -5.146946430206299,
        "relative_population": 0.626013997709457
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCN([NH3+])CCC",
        "std_free_energy": -4.631792068481445,
        "relative_population": 0.373986002290543
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]