pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	0	-1	C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[nH]c12	C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[n-]c(=O)[nH]c12,C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[n-]c12	mol17296	C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[nH]c12