pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Novartis	1	0	Cc1[nH+]c(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cccnc1,Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1ccc[nH+]c1	Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cccnc1	mol2929	Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cccnc1