pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48	Caine	0	-1	CCC/C(=N\OCC)[C@H]1C(=O)C[C@@H](C[C@@H](C)SCC)CC1=O	CCC/C(=N\OCC)[C-]1C(=O)CC(C[C@@H](C)SCC)CC1=O	mol2750	CCC/C(=N\OCC)C1C(=O)CC(CC(C)SCC)CC1=O
4.58	Caine	0	-1	CCC/C(=N\OCC)[C@H]1C(=O)C[C@@H](C[C@@H](C)SCC)CC1=O	CCC/C(=N\OCC)[C-]1C(=O)CC(C[C@@H](C)SCC)CC1=O	mol2750	CCC/C(=N\OCC)C1C(=O)CC(CC(C)SCC)CC1=O