pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.53	AttenGpKa training set	0	-1	CCCC/C(=C\c1ccc2cccnc2c1O)CC	CCCC/C(=C\c1ccc2cccnc2c1[O-])CC	mol26138	CCCC/C(=C\c1ccc2cccnc2c1O)CC
3.67	AttenGpKa training set	1	0	CCCC/C(=C\c1ccc2ccc[nH+]c2c1O)CC	CCCC/C(=C\c1ccc2cccnc2c1O)CC	mol26138	CCCC/C(=C\c1ccc2cccnc2c1O)CC