pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.5	Datawarrior	1	0	CN1CCC[C@H]2CC[NH+]=C21	CN1CCC[C@H]2CCN=C21	mol13164	CN1CCCC2CCN=C21