pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Baltruschat ChEMBL	1	0	CCCCc1[nH+]c(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	mol18484	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1