pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	AttenGpKa training set	1	0	C[C@]1(O)NC=Nc2ncc[nH+]c21,C[C@]1(O)NC=[NH+]c2nccnc21,C[C@]1(O)NC=Nc2[nH+]ccnc21	C[C@]1(O)NC=Nc2nccnc21	mol26210	C[C@]1(O)NC=Nc2nccnc21