pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.34	IUPAC digitized pKa	2	1	CC[C@@H](C)[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CC[C@@H](C)N(CC[N+]1(C)CCCCC1)c1ccccc1	mol6003	CCC(C)N(CC[N+]1(C)CCCCC1)c1ccccc1