pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.54	AttenGpKa training set	1	0	Cc1cc(C)c2c(/N=N/c3ccc(O)cc3O)[nH+][nH]c2n1,Cc1cc(C)c2c(/N=[NH+]/c3ccc(O)cc3O)n[nH]c2n1,Cc1cc(C)c2c(/N=N/c3ccc(O)cc3O)n[nH]c2[nH+]1,Cc1cc(C)c2c(/[NH+]=N/c3ccc(O)cc3O)n[nH]c2n1	Cc1cc(C)c2c(/N=N/c3ccc(O)cc3O)n[nH]c2n1	mol29748	Cc1cc(C)c2c(/N=N/c3ccc(O)cc3O)n[nH]c2n1