pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.90000009536743	QSARToolbox	1	0	CC(C)(C)N(C(=[OH+])c1cccnc1)C1CCCCC1,CC(C)(C)N(C(=O)c1ccc[nH+]c1)C1CCCCC1	CC(C)(C)N(C(=O)c1cccnc1)C1CCCCC1	mol38153	CC(C)(C)N(C(=O)c1cccnc1)C1CCCCC1