pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.38	IUPAC digitized pKa	1	0	[NH3+]c1cc(Cl)c2ccccc2c1	Nc1cc(Cl)c2ccccc2c1	mol1195	Nc1cc(Cl)c2ccccc2c1
3.38000011444092	QSARToolbox	1	0	[NH3+]c1cc(Cl)c2ccccc2c1	Nc1cc(Cl)c2ccccc2c1	mol1195	Nc1cc(Cl)c2ccccc2c1
