pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.71000003814697	QSARToolbox	1	0	[NH3+]CC(=O)N[C@@H](CSSC[C@H](NC(=O)C[NH3+])C(=O)O)C(=O)[O-]	[NH3+]CC(=O)N[C@@H](CSSC[C@H](NC(=O)C[NH3+])C(=O)[O-])C(=O)[O-]	mol37423	NCC(=O)N[C@@H](CSSC[C@H](NC(=O)CN)C(=O)O)C(=O)O