pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.31	IUPAC digitized pKa	1	0	c1ccc(C[C@H]2CCC[NH2+]2)cc1	c1ccc(C[C@H]2CCCN2)cc1	mol3872	c1ccc(CC2CCCN2)cc1
10.35	Datawarrior	1	0	c1ccc(C[C@H]2CCC[NH2+]2)cc1	c1ccc(C[C@H]2CCCN2)cc1	mol3872	c1ccc(CC2CCCN2)cc1
10.36	AttenGpKa training set	1	0	c1ccc(C[C@H]2CCC[NH2+]2)cc1	c1ccc(C[C@H]2CCCN2)cc1	mol3872	c1ccc(CC2CCCN2)cc1