pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.28	Baltruschat ChEMBL	1	0	CC(C)N(/C=[NH+]\c1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1)C(C)C	CC(C)N(/C=N\c1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1)C(C)C	mol18964	CC(C)N(/C=N\c1ccn(C2CCC(CO)O2)c(=O)n1)C(C)C