pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89999961853027	QSARToolbox	1	0	C#CC#CSC(=C[C@H](C)[NH+](C)C)SC#CC#C	C#CC#CSC(=C[C@H](C)N(C)C)SC#CC#C	mol37677	C#CC#CSC(=CC(C)N(C)C)SC#CC#C