pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	Baltruschat ChEMBL	1	0	C[NH+]1CC[C@H]2CCC[C@@H](NS(=O)(=O)c3ccccc3)[C@H]2C1	CN1CC[C@H]2CCC[C@@H](NS(=O)(=O)c3ccccc3)[C@H]2C1	mol20083	CN1CC[C@H]2CCC[C@@H](NS(=O)(=O)c3ccccc3)[C@H]2C1