[
  {
    "molid": "mol19917",
    "smiles": "CCOC(=O)c1nn(C)nc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1nn(C)nc1O",
        "std_free_energy": -4.346549034118652,
        "relative_population": 0.9999997580942408
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1nn(C)nc1[O-]",
        "std_free_energy": -5.4061737060546875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]