pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.98	SAMPL8	1	0	Cc1ccc(Cc2cnc(N)nc2[NH+]2CCOCC2)cc1,Cc1ccc(Cc2c[nH+]c(N)nc2N2CCOCC2)cc1,Cc1ccc(Cc2cnc([NH3+])nc2N2CCOCC2)cc1,Cc1ccc(Cc2cnc(N)[nH+]c2N2CCOCC2)cc1	Cc1ccc(Cc2cnc(N)nc2N2CCOCC2)cc1	SAMPL8-12	Cc1ccc(Cc2cnc(N)nc2N2CCOCC2)cc1