[
  {
    "molid": "mol10610",
    "smiles": "Cc1nc2[nH]c(=O)n(C)c(=O)c2[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2[nH]c(=O)n(C)c(=O)c2[nH]c1=O",
        "std_free_energy": -5.532710075378418,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2[n-]c(=O)n(C)c(=O)c2[nH]c1=O",
        "std_free_energy": -4.488792896270752,
        "relative_population": 0.7844991510083743
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc2[nH]c(=O)n(C)c(=O)c2[n-]c1=O",
        "std_free_energy": -3.1967122554779053,
        "relative_population": 0.21550084899162575
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc2[n-]c(=O)n(C)c(=O)c2[n-]c1=O",
        "std_free_energy": 6.109043598175049,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]