pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.38	OCHEM	0	-1	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol49	CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
6.27	OCHEM	0	-1	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol49	CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
6.37	OCHEM	0	-1	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol49	CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
6.325	AvLiLuMoVe	0	-1	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol49	CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
6.61	AttenGpKa training set	0	-1	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23	C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23	mol49	CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23