pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	0	-1	Cc1[nH]c(-c2ccccc2[S-])[nH+]c1C	Cc1nc(-c2ccccc2[S-])[nH]c1C	mol13382	Cc1nc(-c2ccccc2S)[nH]c1C
3.9	Datawarrior	1	0	Cc1[nH]c(-c2ccccc2S)[nH+]c1C	Cc1[nH]c(-c2ccccc2[S-])[nH+]c1C	mol13382	Cc1nc(-c2ccccc2S)[nH]c1C
3.9000001	OCHEM	1	0	Cc1[nH]c(-c2ccccc2S)[nH+]c1C	Cc1[nH]c(-c2ccccc2[S-])[nH+]c1C	mol13382	Cc1nc(-c2ccccc2S)[nH]c1C