pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.96	AvLiLuMoVe	1	0	CC(=O)Oc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)C=C[C@H]4[C@@H](C2)[NH+](C)CC[C@]314	CC(=O)Oc1ccc2c3c1O[C@@H]1[C@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314	mol62	CC(=O)Oc1ccc2c3c1O[C@@H]1C(OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314