pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	IUPAC digitized pKa	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.16	IUPAC digitized pKa	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.2	IUPAC digitized pKa	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.11	OCHEM	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.15	OCHEM	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.1399998664856	QSARToolbox	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.15999984741211	QSARToolbox	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1
4.15000009536743	QSARToolbox	1	0	[NH3+]c1ccc2ccccc2c1	Nc1ccc2ccccc2c1	mol1191	Nc1ccc2ccccc2c1