pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6	Baltruschat ChEMBL	0	-1	N=C(N)N1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	[N-]=C(N)N1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	mol18926	N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2