pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.6	AttenGpKa training set	2	1	CC[NH+](CC)CCNC(=O)c1cc(OC)[nH+]c2ccccc12	CC[NH+](CC)CCNC(=O)c1cc(OC)nc2ccccc12	mol24934	CCN(CC)CCNC(=O)c1cc(OC)nc2ccccc12