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. 2023 Jan 25;63(3):753–769. doi: 10.1021/acs.jcim.2c01154

Table 2. Number of Observations for Each Functional Groupa.

  O2 N3 ONO2 NNO2 CNO2
O2 2 5 0 0 11
N3 5 19 1 10 23
ONO2 0 1 538 8 5
NNO2 0 10 8 397 84
CNO2 11 23 5 84 367
a

The diagonal shows the number with a single functional group, and off diagonal entries count those observations with multiple functional groups.