pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	OCHEM	2	1	CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc(N)[nH+]1,CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc([NH3+])n1	CCc1cc([NH+]2CC[C@@H](NC)C2)nc(N)n1,CCc1cc(N2CC[C@@H](NC)C2)nc(N)[nH+]1,CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc(N)n1,CCc1cc(N2CC[C@@H](NC)C2)nc([NH3+])n1	mol17839	CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1
7.5	OCHEM	2	1	CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc(N)[nH+]1,CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc([NH3+])n1	CCc1cc([NH+]2CC[C@@H](NC)C2)nc(N)n1,CCc1cc(N2CC[C@@H](NC)C2)nc(N)[nH+]1,CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc(N)n1,CCc1cc(N2CC[C@@H](NC)C2)nc([NH3+])n1	mol17839	CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1