pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.7	Baltruschat ChEMBL	1	0	CCCS(=O)(=O)[NH2+]c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2c[nH+]c3[nH]nc(OC)c3c2)c1F,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH][nH+]c(OC)c3c2)c1F	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F	mol18038	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F