[
  {
    "molid": "mol34939",
    "smiles": "CC1=CC2=CC=CC=C(C2)N=C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CC2=CC=CC=C(C2)N=C1",
        "std_free_energy": -4.900612831115723,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1=CC2=CC=CC=C(C2)[NH+]=C1",
        "std_free_energy": -2.660844326019287,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.54999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]