pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.72	Datawarrior	1	0	C=C(C(=O)O[C@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)[NH+]2C)c1ccccc1	C=C(C(=O)O[C@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)N2C)c1ccccc1	mol15357	C=C(C(=O)O[C@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)N2C)c1ccccc1