pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.97	Baltruschat ChEMBL	0	-1	ON1CCN/C1=N/c1ccc(CCc2ccc(/N=C3\NCCN3O)cc2)cc1,[O-]N1CCN/C1=[NH+]\c1ccc(CCc2ccc(/N=C3/NCCN3O)cc2)cc1	[O-]N1CCN/C1=[NH+]/c1ccc(CCc2ccc(/N=C3\NCCN3[O-])cc2)cc1,[O-]N1CCN/C1=N\c1ccc(CCc2ccc(/N=C3/NCCN3O)cc2)cc1	mol18468	ON1CCN/C1=N/c1ccc(CCc2ccc(/N=C3\NCCN3O)cc2)cc1