pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.38	Baltruschat ChEMBL	1	0	Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2ccccc12,Cc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2ccccc12	Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12	mol18617	Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
7.36	Baltruschat ChEMBL	1	0	Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2ccccc12,Cc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccccc2nc2ccccc12	Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12	mol18617	Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12