pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Baltruschat ChEMBL	1	0	Cc1ncc(CN2CS[C@@H](CCO)[C@@H]2C)c([NH3+])n1,Cc1nc(N)c(CN2CS[C@@H](CCO)[C@@H]2C)c[nH+]1,Cc1ncc(CN2CS[C@@H](CCO)[C@@H]2C)c(N)[nH+]1,Cc1ncc(C[NH+]2CS[C@@H](CCO)[C@@H]2C)c(N)n1	Cc1ncc(CN2CS[C@@H](CCO)[C@@H]2C)c(N)n1	mol19243	Cc1ncc(CN2CSC(CCO)C2C)c(N)n1