pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	1	0	O=C(NCC[NH+]1CCCC1)[C@H]1C[C@@H]1c1ccccc1	O=C(NCCN1CCCC1)[C@H]1C[C@@H]1c1ccccc1	mol19990	O=C(NCCN1CCCC1)[C@H]1C[C@@H]1c1ccccc1