pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.91	IUPAC digitized pKa	1	0	CC[C@@H](C)[NH2+][C@H](C)CC	CC[C@@H](C)N[C@H](C)CC	mol3214	CCC(C)NC(C)CC
10.94	Datawarrior	1	0	CC[C@@H](C)[NH2+][C@H](C)CC	CC[C@@H](C)N[C@H](C)CC	mol3214	CCC(C)NC(C)CC
11.01	Organic Oxygen Acids and Nitrogen Bases	1	0	CC[C@@H](C)[NH2+][C@H](C)CC	CC[C@@H](C)N[C@H](C)CC	mol3214	CCC(C)NC(C)CC
10.96	AttenGpKa training set	1	0	CC[C@@H](C)[NH2+][C@H](C)CC	CC[C@@H](C)N[C@H](C)CC	mol3214	CCC(C)NC(C)CC