pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	IUPAC digitized pKa	1	0	C1CSCC[NH2+]1	C1CSCCN1	mol205	C1CSCCN1
9.05	Datawarrior	1	0	C1CSCC[NH2+]1	C1CSCCN1	mol205	C1CSCCN1
9.0500002	OCHEM	1	0	C1CSCC[NH2+]1	C1CSCCN1	mol205	C1CSCCN1
9.0600004196167	QSARToolbox	1	0	C1CSCC[NH2+]1	C1CSCCN1	mol205	C1CSCCN1
9.10000038146973	QSARToolbox	1	0	C1CSCC[NH2+]1	C1CSCCN1	mol205	C1CSCCN1