pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.46	IUPAC digitized pKa	0	-1	C[C@H]([NH3+])CCC(=O)[O-]	C[C@H](N)CCC(=O)[O-]	mol5298	CC(N)CCC(=O)O
10.43	Datawarrior	0	-1	C[C@H]([NH3+])CCC(=O)[O-]	C[C@H](N)CCC(=O)[O-]	mol5298	CC(N)CCC(=O)O
3.97	IUPAC digitized pKa	1	0	C[C@H]([NH3+])CCC(=O)O	C[C@H]([NH3+])CCC(=O)[O-]	mol5298	CC(N)CCC(=O)O
4.13	Datawarrior	1	0	C[C@H]([NH3+])CCC(=O)O	C[C@H]([NH3+])CCC(=O)[O-]	mol5298	CC(N)CCC(=O)O
4.1300001	OCHEM	1	0	C[C@H]([NH3+])CCC(=O)O	C[C@H]([NH3+])CCC(=O)[O-]	mol5298	CC(N)CCC(=O)O