pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Datawarrior	1	0	[NH3+]c1ccc(Cl)c2ccccc12	Nc1ccc(Cl)c2ccccc12	mol12801	Nc1ccc(Cl)c2ccccc12
3.41	OCHEM	1	0	[NH3+]c1ccc(Cl)c2ccccc12	Nc1ccc(Cl)c2ccccc12	mol12801	Nc1ccc(Cl)c2ccccc12
3.4000001	OCHEM	1	0	[NH3+]c1ccc(Cl)c2ccccc12	Nc1ccc(Cl)c2ccccc12	mol12801	Nc1ccc(Cl)c2ccccc12
3.44000005722046	QSARToolbox	1	0	[NH3+]c1ccc(Cl)c2ccccc12	Nc1ccc(Cl)c2ccccc12	mol12801	Nc1ccc(Cl)c2ccccc12