pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	Oc1ccc2c(c1)[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1	[O-]c1ccc2c(c1)[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1	mol17630	Oc1ccc2c(c1)C1c3cccc[n+]3C2CC1(c1ccoc1)c1ccoc1