pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	AttenGpKa training set	1	0	c1ccc(CN(CC[NH+]2CCCC2)c2ccccc2)cc1	c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1	mol29736	c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1
2.99	AttenGpKa training set	2	1	c1ccc(C[NH+](CC[NH+]2CCCC2)c2ccccc2)cc1	c1ccc(CN(CC[NH+]2CCCC2)c2ccccc2)cc1	mol29736	c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1