pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Baltruschat ChEMBL	1	0	CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)C[NH+](C1CCOCC1)CC2	CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2	mol16956	CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOCC1)CC2