pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.12	IUPAC digitized pKa	1	0	C1CCc2c(n[nH+]c3c2CCCC3)C1	C1CCc2c(nnc3c2CCCC3)C1	mol5045	C1CCc2c(nnc3c2CCCC3)C1
6.03	IUPAC digitized pKa	1	0	C1CCc2c(n[nH+]c3c2CCCC3)C1	C1CCc2c(nnc3c2CCCC3)C1	mol5045	C1CCc2c(nnc3c2CCCC3)C1
6.1199999	OCHEM	1	0	C1CCc2c(n[nH+]c3c2CCCC3)C1	C1CCc2c(nnc3c2CCCC3)C1	mol5045	C1CCc2c(nnc3c2CCCC3)C1
6.11999988555908	QSARToolbox	1	0	C1CCc2c(n[nH+]c3c2CCCC3)C1	C1CCc2c(nnc3c2CCCC3)C1	mol5045	C1CCc2c(nnc3c2CCCC3)C1