pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	AttenGpKa training set	1	0	Cc1cnc2ncncc2[nH+]1,Cc1cnc2[nH+]cncc2n1,Cc1cnc2nc[nH+]cc2n1,Cc1c[nH+]c2ncncc2n1	Cc1cnc2ncncc2n1	mol8209	Cc1cnc2ncncc2n1