pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95	Datawarrior	1	0	C[C@@]1(C(=O)O)CCC=[N+]1O	C[C@@]1(C(=O)[O-])CCC=[N+]1O,C[C@@]1(C(=O)O)CCC=[N+]1[O-]	mol13084	CC1(C(=O)O)CCC=[N+]1[O-]