0 B11R0.148 CCCCCCCCCC(C)C 5742AL [0,0,0,0,0,0|1,0,1]=2 1 B11R0.148 C\C=C/CCCCCCC(=O)O Z6197 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCCCCCCNC(N)=S 9815AD [1,0,0,0,0,0|2,1,0]=4 3 B10R0.4 CCCC\C=C\COC(C)=O 6991AL [1,0,0,0,0,0|1,0,2]=4 4 B10R0.71 CCCCC#CCCCCC 6823AL [1,0,0,0,0,0|0,0,3]=4 5 B10R0.71 CCCCCCCCSC#N I543 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.71 CCC\C=C\CCCCC=O Z6189 [1,0,0,0,0,0|0,0,2]=3 7 B10R0.71 SCCCCCCCCCS 7641AJ [1,0,0,0,0,0|1,1,1]=4 8 B12R0.234 C=CCCCCCCCCC(=O)[O-] 5895AF [0,1,0,0,0,0|1,0,1]=3 9 B12R0.234 CCCCCCCC\C=C\C(=O)[O-] 5894AF [0,1,0,0,0,0|1,0,1]=3 10 B12R0.248 CCCCCCCCOC(=O)CC 5906AF [0,1,0,0,0,0|1,0,0]=2 11 B12R0.251 CCCCCCCCC(Br)C(=O)O 5758AF [0,1,0,0,0,0|1,0,0]=2 12 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 P911 [0,0,0,1,0,0|3,0,0]=4 13 B12R1.1343 O=C(O)CCN1CCCCCC1 8885AE [0,0,0,1,0,0|2,0,0]=3 14 B9R0.2 CCCCCCCC(C)O R396 [2,0,0,0,0,0|0,0,2]=4 15 B9R0.45 CCCC#CCCCCC 5748AF [2,0,0,0,0,0|0,0,2]=4 16 B9R0.45 CCCCCCCC[Mg]Cl 8960AJ [2,0,0,0,0,0|2,0,0]=4 17 B9R0.45 CCCCCCCOC=O 7967AF [2,0,0,0,0,0|1,0,0]=3 18 B9R0.45 CCCCCC\C=C\C=O Y1535 [2,0,0,0,0,0|0,0,2]=4 19 B11R0.30 CC(=O)OCCCCCC(C)C M585 [1,1,0,0,0,0|1,0,0]=3 20 B11R0.40 CCCCCCCC[C@H](O)CO O031 [1,1,0,0,0,0|0,0,2]=4 21 B11R0.159 CCCCCCCCS(=O)(=O)O 9954AH [1,1,0,0,0,0|2,0,0]=4 22 B11R0.159 CCCCCCCC[Si](C)(C)Cl M170 [1,1,0,0,0,0|1,1,0]=4 23 B11R0.3 CCCCCCCCCC[Mg]Br 8522AJ [1,1,0,0,0,0|1,0,1]=4 24 B11R0.3 CCCCCCCCCN=C=S 3732AE [1,1,0,0,0,0|0,1,1]=4 25 B11R0.3 CCCCCCCC\C=C\CO 9215AL [1,1,0,0,0,0|0,0,1]=3 26 B11R0.4 CCCCCCC[C@@H](O)CCO U176 [1,1,0,0,0,0|0,0,2]=4 27 B13R0.1 CCCCCCC(O)CCOC(C)=O P177 [0,2,0,0,0,0|0,0,0]=2 28 B13R0.1398 C=C(C)CCCC(C)CCOC(C)=O 6028AF [0,2,0,0,0,0|1,0,1]=4 29 B13R0.54 CCCCCCCCCCCC(=O)O 6043AF [0,2,0,0,0,0|1,0,0]=3 30 B13R0.54 CCCCCCCCCCNC(N)=S 8339AD [0,2,0,0,0,0|1,1,0]=4 31 B13R0.150 CCCCCCCCOC(=O)C(C)C 6042AF [0,2,0,0,0,0|1,0,0]=3 32 B13R0.179 CC(=O)CCCCCCCCC(C)=O 3995AJ [0,2,0,0,0,0|0,0,0]=2 33 B13R0.2 CCCCC\C=C\CCC(=O)OCC 7896AL [0,2,0,0,0,0|0,0,2]=4 34 B13R0.412 CCCCCCCCCC(OC)OC U171 [0,2,0,0,0,0|0,0,2]=4 35 B11R1.86 CC(=O)OC1CCCCC1C P439 [1,0,0,1,0,0|1,0,0]=3 36 B11R1.742 O=C(O)CC1CCCCCC1 Y9120 [1,0,0,1,0,0|1,0,0]=3 37 B11R1.28 CNCCCN1CCCCC1 3413AC [1,0,0,1,0,0|2,0,0]=4 38 B13R1.348 CC(=O)CC(=O)NC1CCCCC1 5745AF [0,1,0,1,0,0|1,0,1]=4 39 B13R1.279 BrC1CCCCCCCCCCC1 Y4078 [0,1,0,1,0,0|1,0,1]=4 40 B13R1.279 NC1CCCCCCCCCCC1 7506AL [0,1,0,1,0,0|1,0,1]=4 41 B13R2.1287 C12CCN(CC1)CC2OC(C)=O 2194AH [0,0,0,2,0,0|2,0,0]=4 42 B13R2.435 [C@H]12CCCC[C@@H]1C[C@@H](C(=O)O)N2 7185AA [0,0,0,2,0,0|2,0,0]=4 43 B13R2.435 [C@H]12CCCC[C@@H]1C[C@@H](C(=O)O)N2 Q728 [0,0,0,2,0,0|2,0,0]=4 44 B13R2.3771 O=C(O)C1CC2CC1CCC2O Y8473 [0,0,0,2,0,0|2,0,0]=4