pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Baltruschat ChEMBL	0	-1	O=C([O-])C1=CC[NH2+]CC1	O=C([O-])C1=CCNCC1	mol16719	O=C(O)C1=CCNCC1
3.6	OCHEM	1	0	O=C(O)C1=CC[NH2+]CC1	O=C([O-])C1=CC[NH2+]CC1	mol16719	O=C(O)C1=CCNCC1
3.0	OCHEM	1	0	O=C(O)C1=CC[NH2+]CC1	O=C([O-])C1=CC[NH2+]CC1	mol16719	O=C(O)C1=CCNCC1