pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.1	OCHEM	1	0	C[C@@H]1CC(C=C2CC(C)(C)C[NH2+]2)=NC1(C)C,C[C@@H]1CC(C=C2CC(C)(C)CN2)=[NH+]C1(C)C	C[C@@H]1CC(C=C2CC(C)(C)CN2)=NC1(C)C	mol32627	CC1CC(C=C2CC(C)(C)CN2)=NC1(C)C