pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Baltruschat ChEMBL	2	1	CCOc1ccccc1C[C@H](c1ccccc1)[NH+]1CC[NH2+]CC1	CCOc1ccccc1C[C@H](c1ccccc1)N1CC[NH2+]CC1,CCOc1ccccc1C[C@H](c1ccccc1)[NH+]1CCNCC1	mol18076	CCOc1ccccc1C[C@H](c1ccccc1)N1CCNCC1