pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.8	AttenGpKa training set	0	-1	COc1ccccc1-c1nc2cnccc2[nH]1	COc1ccccc1-c1nc2cnccc2[n-]1	mol29615	COc1ccccc1-c1nc2cnccc2[nH]1
6.2	AttenGpKa training set	1	0	COc1ccccc1-c1[nH]c2ccncc2[nH+]1,COc1ccccc1-c1nc2c[nH+]ccc2[nH]1	COc1ccccc1-c1nc2cnccc2[nH]1	mol29615	COc1ccccc1-c1nc2cnccc2[nH]1
0.25	AttenGpKa training set	2	1	COc1ccccc1-c1[nH]c2cc[nH+]cc2[nH+]1	COc1ccccc1-c1[nH]c2ccncc2[nH+]1,COc1ccccc1-c1nc2c[nH+]ccc2[nH]1	mol29615	COc1ccccc1-c1nc2cnccc2[nH]1