pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.43	IUPAC digitized pKa	1	0	CNc1c2ccccc2[nH+]c2ccccc12,C[NH2+]c1c2ccccc2nc2ccccc12	CNc1c2ccccc2nc2ccccc12	mol8381	CNc1c2ccccc2nc2ccccc12
10.1	AttenGpKa training set	1	0	CNc1c2ccccc2[nH+]c2ccccc12,C[NH2+]c1c2ccccc2nc2ccccc12	CNc1c2ccccc2nc2ccccc12	mol8381	CNc1c2ccccc2nc2ccccc12
1.42999994754791	QSARToolbox	2	1	C[NH2+]c1c2ccccc2[nH+]c2ccccc12	CNc1c2ccccc2[nH+]c2ccccc12,C[NH2+]c1c2ccccc2nc2ccccc12	mol8381	CNc1c2ccccc2nc2ccccc12