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. 2024 May 7;15:1380304. doi: 10.3389/fphar.2024.1380304

TABLE 1.

Natural population charge of the atoms of compounds 1–10.

Atom EVO-1 EVO-2 EVO-3 EVO-4 EVO-5 EVO-6 EVO-7 EVO-8 EVO-9 EVO-10
1N −0.547 −0.547 −0.547 −0.547 −0.547 −0.549 −0.549 −0.549 −0.549 −0.549
2C 0.132 0.134 0.134 0.134 0.132 0.137 0.138 0.138 0.139 0.137
3C 0.228 0.227 0.227 0.226 0.227 0.229 0.228 0.228 0.228 0.227
4N −0.552 −0.552 −0.552 −0.551 −0.550 −0.548 −0.548 −0.548 −0.548 −0.547
5C −0.178 −0.178 −0.178 −0.178 −0.178 −0.167 −0.167 −0.167 −0.167 −0.168
6C −0.357 −0.357 −0.357 −0.358 −0.358 −0.394 −0.394 −0.394 −0.394 −0.394
7C −0.096 −0.096 −0.097 −0.097 −0.096 −0.087 −0.087 −0.087 −0.088 −0.087
8C −0.109 −0.109 −0.109 −0.109 −0.109 −0.064 −0.063 −0.064 −0.063 −0.064
9C −0.105 −0.105 −0.105 −0.105 −0.105 −0.219 −0.219 −0.219 −0.219 −0.218
10C −0.258 −0.258 −0.259 −0.259 −0.258 0.303 0.302 0.303 0.302 0.302
11C −0.203 −0.204 −0.204 −0.204 −0.203 −0.282 −0.282 −0.282 −0.282 −0.282
12C −0.234 −0.234 −0.234 −0.234 −0.234 −0.214 −0.214 −0.214 −0.214 −0.215
13C 0.160 0.160 0.160 0.160 0.160 0.141 0.141 0.141 0.141 0.142
14N −0.559 −0.559 −0.560 −0.560 −0.558 −0.558 −0.559 −0.560 −0.559 −0.559
15C 0.686 0.687 0.690 0.691 0.690 0.686 0.687 0.690 0.690 0.691
16O −0.623 −0.629 −0.631 −0.635 −0.630 −0.623 −0.630 −0.625 −0.631 −0.631
17C −0.361 −0.360 −0.360 −0.361 −0.360 −0.361 −0.360 −0.360 −0.360 −0.362
31C −0.179 −0.185 −0.179 −0.172 −0.225 −0.179 −0.185 −0.211 −0.179 −0.225
32C −0.220 −0.049 −0.044 −0.043 −0.039 −0.220 −0.049 −0.037 −0.044 −0.039
33C −0.217 −0.213 −0.216 −0.212 −0.216 −0.217 −0.213 −0.220 −0.216 −0.216
34C 0.056 0.060 0.060 0.052 0.065 0.057 0.060 0.066 0.060 0.067
35S 0.403 0.407 0.416 0.420 0.422 0.403 0.406 0.426 0.415 0.421
36C −0.600 −0.600 −0.410 −0.417 −0.034 −0.600 −0.600 −0.386 −0.410 −0.034
37C −0.575 −0.385 −0.403 −0.409 −0.575 −0.371 −0.385 −0.409
26O −0.551 −0.551 −0.551 −0.551 −0.549

The bold values describe the important results.