pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.51	AttenGpKa training set	0	-1	Cc1nc2ccccc2c(=O)[nH]1	Cc1nc2ccccc2c(=O)[n-]1	mol26190	Cc1nc2ccccc2c(=O)[nH]1
3.15	AttenGpKa training set	1	0	Cc1[nH]c(=O)c2ccccc2[nH+]1	Cc1nc2ccccc2c(=O)[nH]1	mol26190	Cc1nc2ccccc2c(=O)[nH]1