pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.49	Datawarrior	1	0	c1ccc2c(c1)CC[NH2+]2	c1ccc2c(c1)CCN2	mol13531	c1ccc2c(c1)CCN2
4.9	OCHEM	1	0	c1ccc2c(c1)CC[NH2+]2	c1ccc2c(c1)CCN2	mol13531	c1ccc2c(c1)CCN2
5.4899998	OCHEM	1	0	c1ccc2c(c1)CC[NH2+]2	c1ccc2c(c1)CCN2	mol13531	c1ccc2c(c1)CCN2
5.46	AttenGpKa training set	1	0	c1ccc2c(c1)CC[NH2+]2	c1ccc2c(c1)CCN2	mol13531	c1ccc2c(c1)CCN2