[
  {
    "molid": "mol34916",
    "smiles": "CC1(C)NC(C)(C)[N+]([O-])=C1c1ccccc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)[NH2+]C(C)(C)[N+]([O-])=C1c1ccccc1",
        "std_free_energy": 4.561603546142578,
        "relative_population": 0.1854861587077649
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(C)NC(C)(C)[N+](O)=C1c1ccccc1",
        "std_free_energy": 3.0819923877716064,
        "relative_population": 0.8145138412922351
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC1(C)[NH2+]C(C)(C)[N+](O)=C1c1ccccc1",
        "std_free_energy": 13.244183540344238,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.05999994277954,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]