pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.53	AttenGpKa training set	0	-1	CC(C)[C@H]1CCC(=N/O)/C(=N\O)C1	CC(C)[C@H]1CCC(=N/[O-])/C(=N\O)C1,CC(C)[C@H]1CCC(=N/O)/C(=N\[O-])C1	mol31597	CC(C)C1CCC(=N/O)/C(=N\O)C1