pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	OCHEM	1	0	C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)[NH2+]1	C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)N1	mol33191	CC1CC(Oc2ccccc2)CC(C)(C)N1
9.53999996185303	QSARToolbox	1	0	C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)[NH2+]1	C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)N1	mol33191	CC1CC(Oc2ccccc2)CC(C)(C)N1