pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.63	Datawarrior	1	0	O=Cc1cc[nH+]cc1	O=Cc1ccncc1	mol3711	O=Cc1ccncc1
4.77	Organic Oxygen Acids and Nitrogen Bases	1	0	O=Cc1cc[nH+]cc1	O=Cc1ccncc1	mol3711	O=Cc1ccncc1
4.74	OCHEM	1	0	O=Cc1cc[nH+]cc1	O=Cc1ccncc1	mol3711	O=Cc1ccncc1
4.6300001	OCHEM	1	0	O=Cc1cc[nH+]cc1	O=Cc1ccncc1	mol3711	O=Cc1ccncc1
4.65	OCHEM	1	0	O=Cc1cc[nH+]cc1	O=Cc1ccncc1	mol3711	O=Cc1ccncc1
4.52	AttenGpKa training set	1	0	O=Cc1cc[nH+]cc1	O=Cc1ccncc1	mol3711	O=Cc1ccncc1