pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	1	0	Cc1nc2c(=O)nc[nH+]c-2n(C)c1C,Cc1nc2c(=O)[nH+]cnc-2n(C)c1C,Cc1[nH+]c2c(=O)ncnc-2n(C)c1C	Cc1nc2c(=O)ncnc-2n(C)c1C	mol4793	Cc1nc2c(=O)ncnc-2n(C)c1C