pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.98000001907349	QSARToolbox	1	0	CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc([NH3+])cc4nc3c2)C(C)(C)N1[O],CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)C(C)(C)N1[O],CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc(N)cc4nc3c2)C(C)(C)[NH+]1[O]	CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc(N)cc4nc3c2)C(C)(C)N1[O]	mol38353	CC1(C)CC(C(=O)Nc2ccc3cc4ccc(N)cc4nc3c2)C(C)(C)N1[O]