[
  {
    "molid": "mol32633",
    "smiles": "CN(C)c1ccc(C=Cc2cc[n+]([O-])cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C=Cc2cc[n+]([O-])cc2)cc1",
        "std_free_energy": -6.695754051208496,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C=Cc2cc[n+](O)cc2)cc1",
        "std_free_energy": -1.2090131044387817,
        "relative_population": 0.571709348041443
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(C=Cc2cc[n+]([O-])cc2)cc1",
        "std_free_energy": -0.9201844334602356,
        "relative_population": 0.428290651958557
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]