pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	2	1	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]c[nH+]1	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]cn1	mol14476	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]cn1
4.5999999	OCHEM	2	1	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]c[nH+]1	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]cn1	mol14476	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]cn1
4.59999990463257	QSARToolbox	2	1	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]c[nH+]1	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]cn1	mol14476	C[N+](C)(C)CCOC(=O)/C=C/c1c[nH]cn1