pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.266667	Novartis	1	0	CNC(=O)c1ccccc1Nc1nc(Nc2ccc([NH+]3CCOCC3)cc2OC)ncc1Cl,CNC(=O)c1ccccc1Nc1nc([NH2+]c2ccc(N3CCOCC3)cc2OC)ncc1Cl,CNC(=O)c1ccccc1[NH2+]c1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CNC(=O)c1ccccc1Nc1[nH+]c(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)[nH+]cc1Cl	CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl	mol2834	CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl