pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.02	SAMPL6	1	0	Clc1ccc(C[NH2+]c2ncnc3ccccc23)cc1,Clc1ccc(CNc2nc[nH+]c3ccccc23)cc1,Clc1ccc(CNc2[nH+]cnc3ccccc23)cc1	Clc1ccc(CNc2ncnc3ccccc23)cc1	SM04	Clc1ccc(CNc2ncnc3ccccc23)cc1