pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.63	Baltruschat ChEMBL	1	0	CCOc1cc(CN2CCC([NH2+]c3nc4ccccc4o3)CC2)ccc1Cl,CCOc1cc(C[NH+]2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl	CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl	mol20403	CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl