pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	IUPAC digitized pKa	1	0	Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1,[NH3+]c1ccc2[nH]c(Cc3ccccc3)nc2c1	Nc1ccc2[nH]c(Cc3ccccc3)nc2c1	mol4486	Nc1ccc2[nH]c(Cc3ccccc3)nc2c1
6.4000001	OCHEM	1	0	Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1,[NH3+]c1ccc2[nH]c(Cc3ccccc3)nc2c1	Nc1ccc2[nH]c(Cc3ccccc3)nc2c1	mol4486	Nc1ccc2[nH]c(Cc3ccccc3)nc2c1
3.3	IUPAC digitized pKa	2	1	[NH3+]c1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1	Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1,[NH3+]c1ccc2[nH]c(Cc3ccccc3)nc2c1	mol4486	Nc1ccc2[nH]c(Cc3ccccc3)nc2c1