pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.1	AttenGpKa training set	1	0	Cn1cncc2ncc(=O)[nH+]c1-2,Cn1cncc2ncc(=[OH+])nc1-2,Cn1cncc2[nH+]cc(=O)nc1-2,Cn1c[nH+]cc2ncc(=O)nc1-2	Cn1cncc2ncc(=O)nc1-2	mol26198	Cn1cncc2ncc(=O)nc1-2