[
  {
    "molid": "mol19244",
    "smiles": "Cc1ncc(C)c(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncc(C)c(N)n1",
        "std_free_energy": -5.450344562530518,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ncc(C)c([NH3+])n1",
        "std_free_energy": -4.015506744384766,
        "relative_population": 0.349029319481467
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ncc(C)c(N)[nH+]1",
        "std_free_energy": -3.975733518600464,
        "relative_population": 0.335419740036705
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc(N)c(C)c[nH+]1",
        "std_free_energy": -3.914670944213867,
        "relative_population": 0.3155509404818279
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]