pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69	AttenGpKa training set	1	0	Cc1ccc(/C(=C/C[NH+]2CCCC2)c2ccccn2)cc1	Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1	mol29734	Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1
4.01	AttenGpKa training set	2	1	Cc1ccc(/C(=C/C[NH+]2CCCC2)c2cccc[nH+]2)cc1	Cc1ccc(/C(=C/C[NH+]2CCCC2)c2ccccn2)cc1	mol29734	Cc1ccc(/C(=C/CN2CCCC2)c2ccccn2)cc1