pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Baltruschat ChEMBL	1	0	Cc1ccncc1-c1ccc2c(c1)C[C@@H]([NH2+]S(=O)(=O)C(C)C)C2,Cc1cc[nH+]cc1-c1ccc2c(c1)C[C@@H](NS(=O)(=O)C(C)C)C2	Cc1ccncc1-c1ccc2c(c1)C[C@@H](NS(=O)(=O)C(C)C)C2	mol17388	Cc1ccncc1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2