pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.27	Datawarrior	1	0	CN(C)c1cccc[n+]1O	CN(C)c1cccc[n+]1[O-]	mol13001	CN(C)c1cccc[n+]1O
-4.9	AttenGpKa training set	2	1	C[NH+](C)c1cccc[n+]1O	CN(C)c1cccc[n+]1O	mol13001	CN(C)c1cccc[n+]1O