pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.34	Baltruschat ChEMBL	1	0	Cc1ccc(C(=O)N(CCCN)[C@@H](c2[nH+]c3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1,Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1	mol17261	Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1