pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88	Baltruschat ChEMBL	1	0	Oc1ccc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1	[O-]c1ccc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1	mol17633	Oc1ccc[n+]2c1C1c3ccccc3C2CC1(c1ccoc1)c1ccoc1