pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.4	Datawarrior	1	0	O=C(O)c1[nH]c2ccccc2[nH+]1	O=C(O)c1nc2ccccc2[nH]1	mol12781	O=C(O)c1nc2ccccc2[nH]1
0.40000001	OCHEM	1	0	O=C(O)c1[nH]c2ccccc2[nH+]1	O=C(O)c1nc2ccccc2[nH]1	mol12781	O=C(O)c1nc2ccccc2[nH]1