pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.30000019073486	QSARToolbox	1	0	CC[C@H]1SC2=[NH+]CCN2[C@]1(O)c1ccc(Cl)cc1	CC[C@H]1SC2=[NH+]CCN2[C@]1([O-])c1ccc(Cl)cc1,CC[C@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1	mol34199	CCC1SC2=NCCN2C1(O)c1ccc(Cl)cc1