pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.86	AttenGpKa training set	0	-1	c1ccc2c(c1)c1ccccc1c1[nH]cnc21	c1ccc2c(c1)c1ccccc1c1[n-]cnc21	mol26645	c1ccc2c(c1)c1ccccc1c1[nH]cnc21
4.65	AttenGpKa training set	1	0	c1ccc2c(c1)c1ccccc1c1[nH+]c[nH]c21	c1ccc2c(c1)c1ccccc1c1[nH]cnc21	mol26645	c1ccc2c(c1)c1ccccc1c1[nH]cnc21