pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.47	OCHEM	0	-1	COC(=O)CC[C@@H](NC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)O)c1C)C(=O)N2)C(=O)OC	COC(=O)CC[C@@H](NC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)[O-])c1C)C(=O)N2)C(=O)OC	mol32259	COC(=O)CC[C@@H](NC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)O)c1C)C(=O)N2)C(=O)OC