[
  {
    "molid": "mol9767",
    "smiles": "CCCc1n[nH]c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1n[nH]c(=O)[nH]c1=O",
        "std_free_energy": -5.505426406860352,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCc1n[n-]c(=O)[nH]c1=O",
        "std_free_energy": -4.197914123535156,
        "relative_population": 0.28641155554350567
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCc1n[nH]c(=O)[n-]c1=O",
        "std_free_energy": -5.110790729522705,
        "relative_population": 0.7135884444564943
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]