pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	Baltruschat ChEMBL	1	0	Nc1nc[nH+]c2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)csc12,Nc1ncnc2c(C(=O)Nc3c(Cl)ccc([NH2+]S(=O)(=O)CCCF)c3F)csc12,[NH3+]c1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)csc12,Nc1[nH+]cnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)csc12	Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)csc12	mol18041	Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)csc12