pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.08	SAMPL6	1	0	c1ccc(CNc2[nH+]cnc3ccccc23)cc1,c1ccc(CNc2nc[nH+]c3ccccc23)cc1,c1ccc(C[NH2+]c2ncnc3ccccc23)cc1	c1ccc(CNc2ncnc3ccccc23)cc1	SM07	c1ccc(CNc2ncnc3ccccc23)cc1
