[
  {
    "molid": "mol3609",
    "smiles": "CC1=CCN(N)C(C)=C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CCN(N)C(C)=C1",
        "std_free_energy": -4.263977527618408,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1=CCN([NH3+])C(C)=C1",
        "std_free_energy": -4.536205291748047,
        "relative_population": 0.4380166927650733
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1=CC[NH+](N)C(C)=C1",
        "std_free_energy": -4.7854204177856445,
        "relative_population": 0.5619833072349267
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.84,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]