pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.18	Baltruschat ChEMBL	1	0	CC(C)CNCC[C@@H]1C[NH2+]c2cc(S(N)(=O)=O)sc2S1(=O)=O,CC(C)C[NH2+]CC[C@@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O	CC(C)CNCC[C@@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O	mol20364	CC(C)CNCCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O