pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	AttenGpKa training set	0	-1	CCO[C@@H](O)n1ccnc1	CCO[C@@H]([O-])n1ccnc1	mol25877	CCOC(O)n1ccnc1
10.69	AttenGpKa training set	0	-1	CCO[C@@H](O)n1ccnc1	CCO[C@@H]([O-])n1ccnc1	mol25877	CCOC(O)n1ccnc1
7.17	AttenGpKa training set	1	0	CCO[C@@H](O)n1cc[nH+]c1	CCO[C@@H](O)n1ccnc1	mol25877	CCOC(O)n1ccnc1
5.93	AttenGpKa training set	1	0	CCO[C@@H](O)n1cc[nH+]c1	CCO[C@@H](O)n1ccnc1	mol25877	CCOC(O)n1ccnc1