pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.92	AttenGpKa training set	1	0	Cc1nc2cnc(-c3ccccc3)nc2[nH+]c1C,Cc1nc2c[nH+]c(-c3ccccc3)nc2nc1C,Cc1nc2cnc(-c3ccccc3)[nH+]c2nc1C,Cc1nc2nc(-c3ccccc3)ncc2[nH+]c1C	Cc1nc2cnc(-c3ccccc3)nc2nc1C	mol26295	Cc1nc2cnc(-c3ccccc3)nc2nc1C