pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Baltruschat ChEMBL	1	0	Cc1ccc(-c2ccc3c(c2)C[C@H]([NH2+]S(=O)(=O)C(C)C)C3)c(C)n1,Cc1ccc(-c2ccc3c(c2)C[C@H](NS(=O)(=O)C(C)C)C3)c(C)[nH+]1	Cc1ccc(-c2ccc3c(c2)C[C@H](NS(=O)(=O)C(C)C)C3)c(C)n1	mol17389	Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c(C)n1