[
  {
    "molid": "mol15709",
    "smiles": "Cc1cccc(C(C)c2c[nH]cn2)c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc([C@@H](C)c2c[nH]cn2)c1C",
        "std_free_energy": -4.628647804260254,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc([C@@H](C)c2c[nH]c[nH+]2)c1C",
        "std_free_energy": -6.379209518432617,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.03999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]