pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3500004	OCHEM	1	0	C=C1[C@H]2C[C@@H]3[C@H]4[NH+]5C[C@]6(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@H]1OC(C)=O)[C@@]7(O)C2	C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@H]1OC(C)=O)[C@@]7(O)C2	mol32806	C=C1C2CC3C4N5CC6(C)CC(OC(C)=O)C(OC(C)=O)C47C6C5CC3(C1OC(C)=O)C7(O)C2