[
  {
    "molid": "mol26250",
    "smiles": "CC1=Nc2c(nc[nH]c2=O)N(C)C1(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=Nc2c(nc[nH]c2=O)N(C)[C@@]1(C)O",
        "std_free_energy": -7.048030853271484,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=Nc2c(nc[n-]c2=O)N(C)[C@@]1(C)O",
        "std_free_energy": -0.8814476728439331,
        "relative_population": 0.4082441589549435
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1=Nc2c(nc[nH]c2=O)N(C)[C@@]1(C)[O-]",
        "std_free_energy": -1.2526763677597046,
        "relative_population": 0.5917558410450565
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]