pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.45	Datawarrior	1	0	C#CC(C)(C)[NH2+]C(C)(C)C#C	C#CC(C)(C)NC(C)(C)C#C	mol5887	C#CC(C)(C)NC(C)(C)C#C
6.4499998	OCHEM	1	0	C#CC(C)(C)[NH2+]C(C)(C)C#C	C#CC(C)(C)NC(C)(C)C#C	mol5887	C#CC(C)(C)NC(C)(C)C#C
6.44999980926514	QSARToolbox	1	0	C#CC(C)(C)[NH2+]C(C)(C)C#C	C#CC(C)(C)NC(C)(C)C#C	mol5887	C#CC(C)(C)NC(C)(C)C#C