pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	IUPAC digitized pKa	1	0	CCc1c[nH+]cc(C)c1	CCc1cncc(C)c1	mol3704	CCc1cncc(C)c1
5.2	Datawarrior	1	0	CCc1c[nH+]cc(C)c1	CCc1cncc(C)c1	mol3704	CCc1cncc(C)c1
5.1999998	OCHEM	1	0	CCc1c[nH+]cc(C)c1	CCc1cncc(C)c1	mol3704	CCc1cncc(C)c1
5.19999980926514	QSARToolbox	1	0	CCc1c[nH+]cc(C)c1	CCc1cncc(C)c1	mol3704	CCc1cncc(C)c1