pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Baltruschat ChEMBL	1	0	FC1C[NH+](c2cc(N3CCCCCC3)nc(C3CC3)n2)C1,FC1CN(c2cc(N3CCCCCC3)nc(C3CC3)[nH+]2)C1,FC1CN(c2cc([NH+]3CCCCCC3)nc(C3CC3)n2)C1,FC1CN(c2cc(N3CCCCCC3)[nH+]c(C3CC3)n2)C1	FC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1	mol17706	FC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1