pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.25	Datawarrior	0	-1	CCC[C@H]1[NH2+][C@@H](C(=O)[O-])CS1	CCC[C@H]1N[C@@H](C(=O)[O-])CS1	mol14235	CCCC1NC(C(=O)O)CS1
6.13	AttenGpKa training set	0	-1	CCC[C@H]1[NH2+][C@@H](C(=O)[O-])CS1	CCC[C@H]1N[C@@H](C(=O)[O-])CS1	mol14235	CCCC1NC(C(=O)O)CS1