pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	Datawarrior	2	1	CC(=O)Nc1ccc([C@@H]2CCC[NH+]2C)c[nH+]1	CC(=O)Nc1ccc([C@@H]2CCC[NH+]2C)cn1	mol14600	CC(=O)Nc1ccc(C2CCCN2C)cn1
2.20000004768372	QSARToolbox	2	1	CC(=O)Nc1ccc([C@@H]2CCC[NH+]2C)c[nH+]1	CC(=O)Nc1ccc([C@@H]2CCC[NH+]2C)cn1	mol14600	CC(=O)Nc1ccc(C2CCCN2C)cn1