pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.57	AttenGpKa training set	0	-1	O=c1nc(-c2ccccc2)c2ccccc2[nH]1	O=c1nc(-c2ccccc2)c2ccccc2[n-]1	mol26282	O=c1nc(-c2ccccc2)c2ccccc2[nH]1
1.87	AttenGpKa training set	1	0	O=c1[nH]c2ccccc2c(-c2ccccc2)[nH+]1	O=c1nc(-c2ccccc2)c2ccccc2[nH]1	mol26282	O=c1nc(-c2ccccc2)c2ccccc2[nH]1