pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	Datawarrior	1	0	[NH3+]c1cccc(-c2ccccc2)c1	Nc1cccc(-c2ccccc2)c1	mol1175	Nc1cccc(-c2ccccc2)c1
4.18	OCHEM	1	0	[NH3+]c1cccc(-c2ccccc2)c1	Nc1cccc(-c2ccccc2)c1	mol1175	Nc1cccc(-c2ccccc2)c1
4.2800002	OCHEM	1	0	[NH3+]c1cccc(-c2ccccc2)c1	Nc1cccc(-c2ccccc2)c1	mol1175	Nc1cccc(-c2ccccc2)c1
4.25	OCHEM	1	0	[NH3+]c1cccc(-c2ccccc2)c1	Nc1cccc(-c2ccccc2)c1	mol1175	Nc1cccc(-c2ccccc2)c1
4.28000020980835	QSARToolbox	1	0	[NH3+]c1cccc(-c2ccccc2)c1	Nc1cccc(-c2ccccc2)c1	mol1175	Nc1cccc(-c2ccccc2)c1