pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	1	0	O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)c1ccccc1	O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1	mol17506	O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1