pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	IUPAC digitized pKa	1	0	Cc1ccc([NH3+])cc1Cl	Cc1ccc(N)cc1Cl	mol1001	Cc1ccc(N)cc1Cl
4.0500002	OCHEM	1	0	Cc1ccc([NH3+])cc1Cl	Cc1ccc(N)cc1Cl	mol1001	Cc1ccc(N)cc1Cl
4.5	QSARToolbox	1	0	Cc1ccc([NH3+])cc1Cl	Cc1ccc(N)cc1Cl	mol1001	Cc1ccc(N)cc1Cl