pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Baltruschat ChEMBL	1	0	CC[C@@]1(c2cccc(O)c2)CCCC[NH+](C)C1	CC[C@@]1(c2cccc(O)c2)CCCCN(C)C1,CC[C@@]1(c2cccc([O-])c2)CCCC[NH+](C)C1	mol17518	CCC1(c2cccc(O)c2)CCCCN(C)C1