pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.85	AttenGpKa training set	0	-1	CC1(C)/C(=C\C=C\C=C\c2sc3ccccc3[n+]2CCCCCC(=O)[O-])Nc2ccc(S(=O)(=O)O)cc21,CC1(C)/C(=C\C=C\C=C\c2sc3ccccc3[n+]2CCCCCC(=O)O)Nc2ccc(S(=O)(=O)[O-])cc21	CC1(C)/C(=C\C=C\C=C\c2sc3ccccc3[n+]2CCCCCC(=O)[O-])Nc2ccc(S(=O)(=O)[O-])cc21	mol26575	CC1(C)/C(=C\C=C\C=C\c2sc3ccccc3[n+]2CCCCCC(=O)O)Nc2ccc(S(=O)(=O)[O-])cc21