pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.02	Baltruschat ChEMBL	1	0	CCC(CC)CNC(=O)c1cnc([NH2+]c2cccc(Cl)c2)cc1C(C)C,CCC(CC)CNC(=O)c1c[nH+]c(Nc2cccc(Cl)c2)cc1C(C)C	CCC(CC)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C	mol18386	CCC(CC)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C
