pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.59	AttenGpKa training set	1	0	CCNCc1cccc(CNCC)[nH+]1,CCNCc1cccc(C[NH2+]CC)n1	CCNCc1cccc(CNCC)n1	mol24477	CCNCc1cccc(CNCC)n1
8.84	AttenGpKa training set	2	1	CC[NH2+]Cc1cccc(C[NH2+]CC)n1	CCNCc1cccc(CNCC)[nH+]1,CCNCc1cccc(C[NH2+]CC)n1	mol24477	CCNCc1cccc(CNCC)n1