pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.15	AttenGpKa training set	2	1	C[N+]1(C)CCC[C@H]1c1ccc[nH+]c1	C[N+]1(C)CCC[C@H]1c1cccnc1	mol25100	C[N+]1(C)CCCC1c1cccnc1