pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	Baltruschat ChEMBL	1	0	Cc1nn(-c2ccccc2)c(SSc2c(C(=O)c3ccccc3)c(C)[nH+]n2-c2ccccc2)c1C(=O)c1ccccc1	Cc1nn(-c2ccccc2)c(SSc2c(C(=O)c3ccccc3)c(C)nn2-c2ccccc2)c1C(=O)c1ccccc1	mol18638	Cc1nn(-c2ccccc2)c(SSc2c(C(=O)c3ccccc3)c(C)nn2-c2ccccc2)c1C(=O)c1ccccc1