pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.52	Datawarrior	1	0	CC1(C)CC([NH2+]CCO)CC(C)(C)N1,CC1(C)CC(NCCO)CC(C)(C)[NH2+]1	CC1(C)CC(NCCO)CC(C)(C)N1	mol13240	CC1(C)CC(NCCO)CC(C)(C)N1
7.42	Datawarrior	2	1	CC1(C)CC([NH2+]CCO)CC(C)(C)[NH2+]1	CC1(C)CC([NH2+]CCO)CC(C)(C)N1,CC1(C)CC(NCCO)CC(C)(C)[NH2+]1	mol13240	CC1(C)CC(NCCO)CC(C)(C)N1
7.42000007629395	QSARToolbox	2	1	CC1(C)CC([NH2+]CCO)CC(C)(C)[NH2+]1	CC1(C)CC([NH2+]CCO)CC(C)(C)N1,CC1(C)CC(NCCO)CC(C)(C)[NH2+]1	mol13240	CC1(C)CC(NCCO)CC(C)(C)N1