pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.09999990463257	QSARToolbox	2	1	CSCC[C@H]([NH2+]Cc1cccc[nH+]1)C(=O)O	CSCC[C@H]([NH2+]Cc1cccc[nH+]1)C(=O)[O-],CSCC[C@H]([NH2+]Cc1ccccn1)C(=O)O	mol37417	CSCC[C@H](NCc1ccccn1)C(=O)O