pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	AttenGpKa training set	1	0	CCN(CC)c1cc(C)c([NH3+])c(C)c1,CC[NH+](CC)c1cc(C)c(N)c(C)c1	CCN(CC)c1cc(C)c(N)c(C)c1	mol23854	CCN(CC)c1cc(C)c(N)c(C)c1
2.38	AttenGpKa training set	2	1	CC[NH+](CC)c1cc(C)c([NH3+])c(C)c1	CCN(CC)c1cc(C)c([NH3+])c(C)c1,CC[NH+](CC)c1cc(C)c(N)c(C)c1	mol23854	CCN(CC)c1cc(C)c(N)c(C)c1