Among them, the disorder-free structures were selected (1172 MOFs), for ease of subsequent simulations. Then, MOFs that possessed a paddlewheel metal node were extracted using their MOFid obtained from ref. , and after some cleanup, a total of 337 MOFs were identified. Next, the associated experimental papers were collected to identify the activation status. Excluding duplicate structures and papers that did not mention the activation status, the total number of MOFs was further reduced to 219. Details about the excavation procedure to identify the activation status and practice are presented in the Supporting Information (section 1).