pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.03	Baltruschat ChEMBL	1	0	CCC[C@@H](OC[n+]1ccn(C)c1/C=N/O)c1ccccc1	CCC[C@@H](OC[n+]1ccn(C)c1/C=N/[O-])c1ccccc1	mol21505	CCCC(OC[n+]1ccn(C)c1/C=N/O)c1ccccc1