pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.46	IUPAC digitized pKa	1	0	c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2ccccc21	c1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccccc21	mol3517	c1ccc2c(c1)CCC2NC1CCc2ccccc21
6.46000003814697	QSARToolbox	1	0	c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2ccccc21	c1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccccc21	mol3517	c1ccc2c(c1)CCC2NC1CCc2ccccc21