pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.74	Datawarrior	1	0	C[C@H]1CC[C@@H]2CCC[NH+]21	C[C@H]1CC[C@@H]2CCCN21	mol13538	C[C@H]1CC[C@@H]2CCCN21
