pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	Baltruschat ChEMBL	1	0	C[NH2+]CCC[C@]12CC[C@H](c3ccccc31)c1ccccc12	CNCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12	mol17469	CNCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12