pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.699999988079071	QSARToolbox	3	2	CC(=[OH+])N1CN2CN(C(C)=[OH+])C[NH+](C2)C1,CC(=O)N1C[NH+]2CN(C(C)=[OH+])C[NH+](C1)C2	CC(=O)N1C[NH+]2CN(C(C)=O)C[NH+](C1)C2	mol33941	CC(=O)N1CN2CN(C1)CN(C(C)=O)C2