pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.53999996185303	QSARToolbox	1	0	Nc1nc(=O)c2ncc(C(=O)O)[nH+]c2[nH]1,Nc1nc(=O)c2[nH+]cc(C(=O)O)nc2[nH]1,[NH3+]c1nc(=O)c2ncc(C(=O)O)nc2[nH]1,Nc1[nH]c2nc(C(=O)O)cnc2c(=O)[nH+]1	Nc1nc(=O)c2ncc(C(=O)[O-])[nH+]c2[nH]1,Nc1nc(=O)c2ncc(C(=O)O)nc2[nH]1,Nc1[nH]c2nc(C(=O)[O-])cnc2c(=O)[nH+]1	mol34055	Nc1nc(=O)c2ncc(C(=O)O)nc2[nH]1