pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Baltruschat ChEMBL	1	0	O=C(N[C@H]1CC[C@@H]([NH+]2CCCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1	O=C(N[C@H]1CC[C@@H](N2CCCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1	mol19993	O=C(NC1CCC(N2CCCCC2)CC1)[C@H]1C[C@@H]1c1ccccc1