pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.21000003814697	QSARToolbox	0	-1	N#CCCN[N+](=O)[O-]	N#CCC[N-][N+](=O)[O-]	mol27836	N#CCCN[N+](=O)[O-]
5.24	AttenGpKa training set	0	-1	N#CCCN[N+](=O)[O-]	N#CCC[N-][N+](=O)[O-]	mol27836	N#CCCN[N+](=O)[O-]