Table 7 Chemical structures wrongly associated with the PN model by 3-CPMI

4097498

CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

6920225

CCCCC(O)CO

928972

CCC=CCCO

10031875

CCC(CC)COC(=O)C

112141

C(C)(=O)OCCCCCCCC

105668

C(CCC)(=O)OCCC

624544

O(C(CC)=O)CCCCC

123660

C(CCCCC)(=O)OCC

123159

CCCC(C=O)C

2987168

CC(C)(CC=O)C

96480

O=C1CCCO1

19686738

CC(CBr)O

4620706

C(NCCO)(C)(C)C

111864

CCCCCCCCN

597977

C(N=C=S)(C)(C)CC

17112822

c1c2c(CN=C=S)cccc2ccc1

1138529

CC(C)(C)C1=CC(=CC(=C1)O)C(C)(C)C

142303

C(#CC(C)(C)O)C(C)(C)O

31333138

CCCCCC#CCCO

107879

CC(CCC)=O

2067336

OC(CCCCBr)=O

91156

N#Cc1c(C#N)cccc1

2065238

c1(ccccc1)OCC(OC)=O

613978

N(CC)(C)c1ccccc1

586787

[N+](c1ccc(cc1)Br)(=O)[O-]

91667

c1(N(CC)CC)ccccc1

38713563

O(CCCCCCCCC)C(=O)c1ccc(O)cc1

622468

C(Oc1ccccc1)(=O)N

93914

C(CC(=O)C)(=O)c1ccccc1

2216946

C(#Cc1ccccc1)C(=O)OCC