pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	IUPAC digitized pKa	1	0	C=CC[NH2+]c1ccccc1	C=CCNc1ccccc1	mol1870	C=CCNc1ccccc1
4.1700001	OCHEM	1	0	C=CC[NH2+]c1ccccc1	C=CCNc1ccccc1	mol1870	C=CCNc1ccccc1
3.56	OCHEM	1	0	C=CC[NH2+]c1ccccc1	C=CCNc1ccccc1	mol1870	C=CCNc1ccccc1
4.18	AttenGpKa training set	1	0	C=CC[NH2+]c1ccccc1	C=CCNc1ccccc1	mol1870	C=CCNc1ccccc1