pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.9	IUPAC digitized pKa	0	-1	Cc1nc2cc3ccccc3cc2[nH]1	Cc1nc2cc3ccccc3cc2[n-]1	mol5062	Cc1nc2cc3ccccc3cc2[nH]1
12.73	AttenGpKa training set	0	-1	Cc1nc2cc3ccccc3cc2[nH]1	Cc1nc2cc3ccccc3cc2[n-]1	mol5062	Cc1nc2cc3ccccc3cc2[nH]1
6.1	IUPAC digitized pKa	1	0	Cc1[nH]c2cc3ccccc3cc2[nH+]1	Cc1nc2cc3ccccc3cc2[nH]1	mol5062	Cc1nc2cc3ccccc3cc2[nH]1
6.02	AttenGpKa training set	1	0	Cc1[nH]c2cc3ccccc3cc2[nH+]1	Cc1nc2cc3ccccc3cc2[nH]1	mol5062	Cc1nc2cc3ccccc3cc2[nH]1