[
  {
    "molid": "mol38009",
    "smiles": "C(C#Cc1ccncc1)#Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(C#Cc1ccncc1)#Cc1ccccc1",
        "std_free_energy": -6.211381912231445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C(C#Cc1cc[nH+]cc1)#Cc1ccccc1",
        "std_free_energy": -0.9258620738983154,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.69000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]