pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.17	Baltruschat ChEMBL	1	0	Cc1noc(C2=C[C@@H](C)C[NH2+]C2)n1	Cc1noc(C2=C[C@@H](C)CNC2)n1	mol20452	Cc1noc(C2=CC(C)CNC2)n1