[
  {
    "molid": "mol15953",
    "smiles": "CCNN(C)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNN(C)CC",
        "std_free_energy": -4.65294075012207,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH2+]N(C)CC",
        "std_free_energy": -4.767458438873291,
        "relative_population": 0.42125965004893595
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN[NH+](C)CC",
        "std_free_energy": -5.0850629806518555,
        "relative_population": 0.578740349951064
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.81,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.8099999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]