[
  {
    "molid": "mol13487",
    "smiles": "CN(C)CC(C)(C)CN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CC(C)(C)CN",
        "std_free_energy": -0.026092618703842163,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CC(C)(C)CN",
        "std_free_energy": -7.349634647369385,
        "relative_population": 0.34730121835526895
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)CC(C)(C)C[NH3+]",
        "std_free_energy": -7.980557918548584,
        "relative_population": 0.6526987816447312
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)CC(C)(C)C[NH3+]",
        "std_free_energy": -9.908248901367188,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.4,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.67000007629395,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]