pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.83	AvLiLuMoVe	1	0	CC[C@@H]1OC(=O)C[C@H](O)[C@@H](C)[C@](CC=O)(O[C@@H]2O[C@@H](C)C[C@H]([NH+](C)C)[C@@H]2O)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@H]1C	CC[C@@H]1OC(=O)C[C@H](O)[C@@H](C)[C@](CC=O)(O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@@H]2O)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@H]1C	mol3040	CCC1OC(=O)CC(O)C(C)C(CC=O)(OC2OC(C)CC(N(C)C)C2O)CC(C)C(=O)/C=C\C(C)=C/C1C