pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.7	Baltruschat ChEMBL	-1	-2	NC1=NC[C@H](C(=O)[O-])CN1	[NH-]C1=NC[C@H](C(=O)[O-])CN1,NC1=NC[C@H](C(=O)[O-])C[N-]1	mol18749	NC1=NCC(C(=O)O)CN1