pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.71	Baltruschat ChEMBL	1	0	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2[nH+]c2c(C(N)=O)cccc12,COc1cc(NS(C)(=O)=O)ccc1[NH2+]c1c2ccc(C)cc2nc2c(C(N)=O)cccc12	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(C(N)=O)cccc12	mol18407	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(C(N)=O)cccc12