pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.88	Datawarrior	0	-1	Cn1cc[nH+]c1C[S-],Cn1ccnc1CS	Cn1ccnc1C[S-]	mol12381	Cn1ccnc1CS
8.8800001	OCHEM	0	-1	Cn1cc[nH+]c1C[S-],Cn1ccnc1CS	Cn1ccnc1C[S-]	mol12381	Cn1ccnc1CS
6.31	Datawarrior	1	0	Cn1cc[nH+]c1CS	Cn1cc[nH+]c1C[S-],Cn1ccnc1CS	mol12381	Cn1ccnc1CS
6.3099999	OCHEM	1	0	Cn1cc[nH+]c1CS	Cn1cc[nH+]c1C[S-],Cn1ccnc1CS	mol12381	Cn1ccnc1CS
6.30999994277954	QSARToolbox	1	0	Cn1cc[nH+]c1CS	Cn1cc[nH+]c1C[S-],Cn1ccnc1CS	mol12381	Cn1ccnc1CS