pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.47	Caine	0	-1	CCS[C@H](C)C[C@H]1CC(=O)[C@H](/C(CC)=N/OC/C=C/Cl)C(=O)C1	CCS[C@H](C)CC1CC(=O)[C-](/C(CC)=N/OC/C=C/Cl)C(=O)C1	mol2751	CCSC(C)CC1CC(=O)C(/C(CC)=N/OC/C=C/Cl)C(=O)C1