pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8399999	OCHEM	1	0	CCC=CCC(=[OH+])N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12,CCC=CCC(=O)N[C@H]1C(=[OH+])N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12	CCC=CCC(=O)N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12	mol32332	CCC=CCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O