pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.49	IUPAC digitized pKa	1	0	C1C[NH+]2CCC1CC2	C1CN2CCC1CC2	mol1404	C1CN2CCC1CC2
11.04	Datawarrior	1	0	C1C[NH+]2CCC1CC2	C1CN2CCC1CC2	mol1404	C1CN2CCC1CC2
10.95	Organic Oxygen Acids and Nitrogen Bases	1	0	C1C[NH+]2CCC1CC2	C1CN2CCC1CC2	mol1404	C1CN2CCC1CC2
11.0425	AttenGpKa training set	1	0	C1C[NH+]2CCC1CC2	C1CN2CCC1CC2	mol1404	C1CN2CCC1CC2