pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	AttenGpKa training set	1	0	[OH+]=C(/C=C1\C=CNc2ccccc21)c1ccccc1,O=C(/C=C1\C=C[NH2+]c2ccccc21)c1ccccc1	O=C(/C=C1\C=CNc2ccccc21)c1ccccc1	mol27028	O=C(/C=C1\C=CNc2ccccc21)c1ccccc1
10.07	AttenGpKa training set	1	0	[OH+]=C(/C=C1\C=CNc2ccccc21)c1ccccc1,O=C(/C=C1\C=C[NH2+]c2ccccc21)c1ccccc1	O=C(/C=C1\C=CNc2ccccc21)c1ccccc1	mol27028	O=C(/C=C1\C=CNc2ccccc21)c1ccccc1