pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.47	Baltruschat ChEMBL	1	0	CNc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2ccccc12,C[NH2+]c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2ccccc12	CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12	mol17177	CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12