[
  {
    "molid": "mol14219",
    "smiles": "Cc1cnc(C)c(O)c1C=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc(C)c(O)c1C=O",
        "std_free_energy": -4.934539318084717,
        "relative_population": 0.6736912503010942
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c[nH+]c(C)c([O-])c1C=O",
        "std_free_energy": -4.209611415863037,
        "relative_population": 0.3263087496989058
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c[nH+]c(C)c(O)c1C=O",
        "std_free_energy": 0.39153897762298584,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cnc(C)c([O-])c1C=O",
        "std_free_energy": -1.8842562437057495,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.0799999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.14000034332275,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.0999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.17000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]