pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	AttenGpKa training set	1	0	Cc1cc(N(C)C)nc[nH+]1,Cc1cc([NH+](C)C)ncn1,Cc1cc(N(C)C)[nH+]cn1	Cc1cc(N(C)C)ncn1	mol25719	Cc1cc(N(C)C)ncn1