pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	1	0	Cc1nc2[nH+]cccc2[nH]1,Cc1[nH]c2cccnc2[nH+]1	Cc1nc2ncccc2[nH]1	mol13199	Cc1nc2ncccc2[nH]1
4.5999999	OCHEM	1	0	Cc1nc2[nH+]cccc2[nH]1,Cc1[nH]c2cccnc2[nH+]1	Cc1nc2ncccc2[nH]1	mol13199	Cc1nc2ncccc2[nH]1
4.6100001335144	QSARToolbox	1	0	Cc1nc2[nH+]cccc2[nH]1,Cc1[nH]c2cccnc2[nH+]1	Cc1nc2ncccc2[nH]1	mol13199	Cc1nc2ncccc2[nH]1