pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.36	IUPAC digitized pKa	1	0	Cc1[nH+]nc2c(c1C)CCC2,Cc1n[nH+]c2c(c1C)CCC2	Cc1nnc2c(c1C)CCC2	mol4572	Cc1nnc2c(c1C)CCC2
5.3600001	OCHEM	1	0	Cc1[nH+]nc2c(c1C)CCC2,Cc1n[nH+]c2c(c1C)CCC2	Cc1nnc2c(c1C)CCC2	mol4572	Cc1nnc2c(c1C)CCC2
5.3600001335144	QSARToolbox	1	0	Cc1[nH+]nc2c(c1C)CCC2,Cc1n[nH+]c2c(c1C)CCC2	Cc1nnc2c(c1C)CCC2	mol4572	Cc1nnc2c(c1C)CCC2