pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	AttenGpKa training set	-1	-2	CCN1/C(=C/C=C/C=C/C2=Nc3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21,CCN1/C(=C/C=C/C=C/C2=Nc3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21	CCN1/C(=C/C=C/C=C/C2=Nc3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21	mol26576	CCN1/C(=C/C=C/C=C/C2=Nc3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21