pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.61	Baltruschat ChEMBL	1	0	CC[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH3+])(C3)C1)C2	CC[C@@]12C[C@@H]3C[C@@H](C[C@@](N)(C3)C1)C2	mol18259	CCC12CC3CC(CC(N)(C3)C1)C2