pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.312	IUPAC digitized pKa	1	0	CCC1=[NH+]C[C@@H](C)S1	CCC1=NC[C@@H](C)S1	mol7555	CCC1=NCC(C)S1
5.231	IUPAC digitized pKa	1	0	CCC1=[NH+]C[C@@H](C)S1	CCC1=NC[C@@H](C)S1	mol7555	CCC1=NCC(C)S1
5.163	IUPAC digitized pKa	1	0	CCC1=[NH+]C[C@@H](C)S1	CCC1=NC[C@@H](C)S1	mol7555	CCC1=NCC(C)S1