pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	Baltruschat ChEMBL	1	0	CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)C[NH+]([C@H]1CCOC1)CC2	CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN([C@H]1CCOC1)CC2	mol16958	CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)CC2