pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	AttenGpKa training set	1	0	CCCC[NH2+]c1cc(N)ncn1,CCCCNc1cc([NH3+])ncn1,CCCCNc1cc(N)[nH+]cn1,CCCCNc1cc(N)nc[nH+]1	CCCCNc1cc(N)ncn1	mol25769	CCCCNc1cc(N)ncn1