pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Novartis	1	0	CCOC(=O)N1CCC(C)(C[NH+]2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1	CCOC(=O)N1CCC(C)(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1	mol2812	CCOC(=O)N1CCC(C)(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1