pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	1	0	C#C[C@](C)(C(C)C)[NH+](C)C(C)C	C#C[C@](C)(C(C)C)N(C)C(C)C	mol12878	C#CC(C)(C(C)C)N(C)C(C)C
8.6999998	OCHEM	1	0	C#C[C@](C)(C(C)C)[NH+](C)C(C)C	C#C[C@](C)(C(C)C)N(C)C(C)C	mol12878	C#CC(C)(C(C)C)N(C)C(C)C