pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.49	AttenGpKa training set	1	0	CC[N+](O)(CC)CC(=O)Nc1c(C)cccc1C	CC[N+]([O-])(CC)CC(=O)Nc1c(C)cccc1C	mol24884	CC[N+](O)(CC)CC(=O)Nc1c(C)cccc1C