pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	AttenGpKa training set	1	0	Cn1c(=[OH+])oc2cc(C=O)ccc21,Cn1c(=O)oc2cc(C=[OH+])ccc21	Cn1c(=O)oc2cc(C=O)ccc21	mol30263	CN1C(=O)Oc2cc(C=O)ccc21