pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.227	IUPAC digitized pKa	0	-1	N#C[C@]12CC[C@](C(=O)O)(CC1)C2	N#C[C@]12CC[C@](C(=O)[O-])(CC1)C2	mol11045	N#CC12CCC(C(=O)O)(CC1)C2