pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.12	Datawarrior	1	0	C[n+]1cccc2cc(S)ccc21	C[n+]1cccc2cc([S-])ccc21	mol12804	C[n+]1cccc2cc(S)ccc21
4.1199999	OCHEM	1	0	C[n+]1cccc2cc(S)ccc21	C[n+]1cccc2cc([S-])ccc21	mol12804	C[n+]1cccc2cc(S)ccc21
4.11999988555908	QSARToolbox	1	0	C[n+]1cccc2cc(S)ccc21	C[n+]1cccc2cc([S-])ccc21	mol12804	C[n+]1cccc2cc(S)ccc21