[
  {
    "molid": "mol6857",
    "smiles": "CC1CC=NN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CC=NN1",
        "std_free_energy": -4.883369445800781,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CC=[NH+]N1",
        "std_free_energy": -2.565204381942749,
        "relative_population": 0.5305216631853074
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]1CC=N[NH2+]1",
        "std_free_energy": -2.4429657459259033,
        "relative_population": 0.46947833681469253
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]