pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11999988555908	QSARToolbox	1	0	CC(C)(C)c1ncc2ccccc2[nH+]1,CC(C)(C)c1nc2ccccc2c[nH+]1	CC(C)(C)c1ncc2ccccc2n1	mol7842	CC(C)(C)c1ncc2ccccc2n1
4.17	AttenGpKa training set	1	0	CC(C)(C)c1ncc2ccccc2[nH+]1,CC(C)(C)c1nc2ccccc2c[nH+]1	CC(C)(C)c1ncc2ccccc2n1	mol7842	CC(C)(C)c1ncc2ccccc2n1