pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	Caine	0	-1	Cc1cc(C)c([C@@H]2C(=O)C[C@@H](CC3CCOCC3)C2=O)c(C)c1	Cc1cc(C)c([C-]2C(=O)C[C@@H](CC3CCOCC3)C2=O)c(C)c1,Cc1cc(C)c([C@@H]2C(=O)[CH-][C@@H](CC3CCOCC3)C2=O)c(C)c1	mol2742	Cc1cc(C)c(C2C(=O)CC(CC3CCOCC3)C2=O)c(C)c1