pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	AttenGpKa training set	2	1	CC(C)NC1=[NH+][C@H](ON2C(=O)CCC2=O)NC(NC2CC2)=[NH+]1	CC(C)NC1=[NH+][C@H](ON2C(=O)CCC2=O)NC(NC2CC2)=N1,CC(C)NC1=N[C@H](ON2C(=O)CCC2=O)NC(NC2CC2)=[NH+]1	mol25848	CC(C)NC1=NC(ON2C(=O)CCC2=O)NC(NC2CC2)=N1