pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55999994277954	QSARToolbox	1	0	CC1(C)OCCN1C(=O)c1ccc[nH+]c1	CC1(C)OCCN1C(=O)c1cccnc1	mol25115	CC1(C)OCCN1C(=O)c1cccnc1
2.56	AttenGpKa training set	1	0	CC1(C)OCCN1C(=O)c1ccc[nH+]c1	CC1(C)OCCN1C(=O)c1cccnc1	mol25115	CC1(C)OCCN1C(=O)c1cccnc1