pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	1	0	COc1cccc(-c2cccc([C@]3(C)[NH+]=C(N)CN3C(C)=O)c2)c1	COc1cccc(-c2cccc([C@]3(C)N=C(N)CN3C(C)=O)c2)c1	mol21069	COc1cccc(-c2cccc(C3(C)N=C(N)CN3C(C)=O)c2)c1