pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	QSARToolbox	1	0	C[NH+](C)C[C@H](CSC(=O)c1ccccc1)SC(=O)c1ccccc1	CN(C)C[C@H](CSC(=O)c1ccccc1)SC(=O)c1ccccc1	mol36225	CN(C)CC(CSC(=O)c1ccccc1)SC(=O)c1ccccc1