[
  {
    "molid": "mol36017",
    "smiles": "Cc1ncc(CO)c(/C=N/NC(N)=S)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ncc(CO)c(/C=N/NC(N)=S)c1O",
        "std_free_energy": -5.875564098358154,
        "relative_population": 0.7658952600148434
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "Cc1[nH+]cc(CO)c(/C=N/NC(N)=S)c1[O-]",
        "std_free_energy": -4.6840715408325195,
        "relative_population": 0.23265411521985405
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ncc(CO)c(/C=N/NC(N)=S)c1[O-]",
        "std_free_energy": -1.1328991651535034,
        "relative_population": 0.883501223512875
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "Cc1ncc(CO)c(/C=N/[N-]C(N)=S)c1O",
        "std_free_energy": 1.0477110147476196,
        "relative_population": 0.09981140912820545
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.94000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]