pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.56	Caine	0	-1	CC1(C)C(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)C(C)(C)C1=O	CC1(C)C(=O)[C-](C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)C(C)(C)C1=O	mol2690	CC1(C)C(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)C(C)(C)C1=O