pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.63	Datawarrior	1	0	[NH3+]c1ccc2c(c1)Cc1c(O)cccc1-2	Nc1ccc2c(c1)Cc1c(O)cccc1-2	mol15815	Nc1ccc2c(c1)Cc1c(O)cccc1-2
4.6300001	OCHEM	1	0	[NH3+]c1ccc2c(c1)Cc1c(O)cccc1-2	Nc1ccc2c(c1)Cc1c(O)cccc1-2	mol15815	Nc1ccc2c(c1)Cc1c(O)cccc1-2