pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.276	IUPAC digitized pKa	1	0	CC[C@H]1CSC(C(C)C)=[NH+]1	CC[C@H]1CSC(C(C)C)=N1	mol7565	CCC1CSC(C(C)C)=N1
5.28	Datawarrior	1	0	CC[C@H]1CSC(C(C)C)=[NH+]1	CC[C@H]1CSC(C(C)C)=N1	mol7565	CCC1CSC(C(C)C)=N1
5.2800002	OCHEM	1	0	CC[C@H]1CSC(C(C)C)=[NH+]1	CC[C@H]1CSC(C(C)C)=N1	mol7565	CCC1CSC(C(C)C)=N1
5.28000020980835	QSARToolbox	1	0	CC[C@H]1CSC(C(C)C)=[NH+]1	CC[C@H]1CSC(C(C)C)=N1	mol7565	CCC1CSC(C(C)C)=N1