pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.61999988555908	QSARToolbox	2	1	C[S+](C)C12CC[NH+](CC1)CC2	C[S+](C)C12CCN(CC1)CC2	mol38129	C[S+](C)C12CCN(CC1)CC2