pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97	Datawarrior	1	0	C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)[NH2+]1	C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)N1	mol14950	C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)N1