[
  {
    "molid": "mol10508",
    "smiles": "Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(C(=O)O)nc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(C(=O)O)nc21",
        "std_free_energy": -1.7750656604766846,
        "relative_population": 0.9998190879072804
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cn1c(=O)[n-]c(=O)c2[n-]c(=O)c(C(=O)[O-])nc21",
        "std_free_energy": 4.079268455505371,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(C(=O)[O-])nc21",
        "std_free_energy": -9.67608642578125,
        "relative_population": 0.9833298516901529
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cn1c(=O)[nH]c(=O)c2[n-]c(=O)c(C(=O)[O-])nc21",
        "std_free_energy": -3.956829786300659,
        "relative_population": 0.7072106662444203
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "Cn1c(=O)[n-]c(=O)c2[nH]c(=O)c(C(=O)[O-])nc21",
        "std_free_energy": -3.074286699295044,
        "relative_population": 0.29259386072455035
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.11,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.32,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]