pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.4	AttenGpKa training set	1	0	Cc1cnc2c(C)nc(-c3ccccc3)nc2[nH+]1,Cc1c[nH+]c2c(C)nc(-c3ccccc3)nc2n1,Cc1cnc2c(C)[nH+]c(-c3ccccc3)nc2n1,Cc1cnc2c(C)nc(-c3ccccc3)[nH+]c2n1	Cc1cnc2c(C)nc(-c3ccccc3)nc2n1	mol26294	Cc1cnc2c(C)nc(-c3ccccc3)nc2n1