pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	Baltruschat ChEMBL	2	1	c1cn2ccc3cc4c([nH+]c3c2[nH+]1)CCCC4	c1cn2ccc3cc4c(nc3c2[nH+]1)CCCC4,c1cn2ccc3cc4c([nH+]c3c2n1)CCCC4	mol17983	c1cn2ccc3cc4c(nc3c2n1)CCCC4