0 B7R0.1 CCCCC\C=C\I 102635 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.1 C\C=C/CCCCC 102713 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.1 C\C=C/CCCCO 102708 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CCC#CCCC 102645 [1,0,0,0,0,0|0,0,3]=4 4 B6R0.6 COCOCCCl 100854 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 C\C=C/CCCO 102707 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.6 NCCOCCN 21478 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.4 C=C\C=C\C=C\CCC 102625 [0,1,0,0,0,0|0,0,3]=4 8 B8R0.4 C=C\C=C\CCCCC 102639 [0,1,0,0,0,0|0,0,1]=2 9 B8R0.4 CCCCCCCCF 102297 [0,1,0,0,0,0|0,0,2]=3 10 B8R0.4 CCC\C=C\CCCC 102651 [0,1,0,0,0,0|0,0,3]=4 11 B8R0.4 COCOCCCCCl 102435 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.4 NCCCOCCCN 21383 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.6 CCCCCC(O)CF 100185 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.7 C=C(C)COCCCC 102301 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.7 C=CCCCOC(C)=O 102329 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.7 CCCC\C=C\C(=O)O 16793 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.7 CCCC\C=C\C(=O)[O-] 12809 [0,1,0,0,0,0|1,0,2]=4 18 B8R1.2 ON=C1CCCCC1 19847 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.5 NC1CCCCC1O 19764 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.5 O[C@@H]1CCCC[C@H]1Cl 19437 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.5 O[C@@H]1CCCC[C@H]1O 19322 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.5 O[C@H]1CCCC[C@@H]1O 19323 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.5 O[C@H]1CCCC[C@H]1O 19324 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.11 CCC1=CCCC1=O 16118 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.11 CCC1CC=CC1=O 16117 [0,0,0,1,0,0|1,0,2]=4 26 B7R0.3 C=CC(C)CCCC 102712 [1,1,0,0,0,0|0,0,0]=2 27 B7R0.3 C=CC(C)CCCO 102711 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.3 C=CCCC(Br)CBr 19930 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.4 C=C(F)CCCCO 102348 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.4 C=CCCCC(=O)O 102353 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.5 CCCCCC(C)CC=O 21557 [0,2,0,0,0,0|0,0,1]=3 32 B9R0.18 C=C(CCCC)CCCC 102634 [0,2,0,0,0,0|0,0,2]=4 33 B9R0.48 CCCC(O)CCC(=O)[O-] 12807 [0,2,0,0,0,0|1,0,0]=3 34 B9R0.48 CCCC(O)CCC(=O)[O-] 12810 [0,2,0,0,0,0|1,0,0]=3 35 B9R0.2 CCCCCC\C=C(\C)I 102863 [0,2,0,0,0,0|0,0,0]=2 36 B9R0.2 CCCCC\C=C/C(C)C 100783 [0,2,0,0,0,0|0,0,2]=4 37 B9R0.2 CCCCC\C=C\C(C)C 100780 [0,2,0,0,0,0|0,0,2]=4 38 B9R0.2 O=C(O)CCCCCCBr 102846 [0,2,0,0,0,0|1,0,0]=3 39 B9R0.45 C#CCCCCOCOC 102449 [0,2,0,0,0,0|0,0,2]=4 40 B9R0.45 C=C\C=C/CCCCCC 102636 [0,2,0,0,0,0|0,0,0]=2 41 B9R0.45 CCCCCC\C=C\OC 103080 [0,2,0,0,0,0|0,0,0]=2 42 B9R0.45 CCCC\C=C/CCCC 102626 [0,2,0,0,0,0|0,0,2]=4 43 B9R0.45 C\C=C/C=C\CCCCC 102640 [0,2,0,0,0,0|0,0,1]=3 44 B9R0.45 FCCCCCCCCF 102291 [0,2,0,0,0,0|0,0,2]=4 45 B9R0.45 OCCCCCCCCBr 102270 [0,2,0,0,0,0|0,0,2]=4 46 B9R0.46 CCCCCCC(=O)NN 841 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.47 CCCCCC(O)C(=O)O 12808 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.55 C=C(F)CCCOC(C)=O 102339 [0,2,0,0,0,0|1,0,1]=4 49 B7R1.3 FC1CCCCC1 102292 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.3 O=C1C=CCCC1 19980 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.2 CNC1=CC(=O)CCC1 13308 [0,1,0,1,0,0|1,0,1]=4 52 B9R1.7 [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.12 CCCCC1=CSC=C1 19189 [0,1,0,1,0,0|0,0,2]=4 54 B9R1.40 C[C@@]1(Cl)CCCC[C@@H]1O 19439 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.148 CC1(C)C=COCCO1 103127 [0,1,0,1,0,0|2,0,0]=4 56 B9R2.50 C1=CCC2=C(C1)CC2 16438 [0,0,0,2,0,0|0,0,2]=4 57 B9R2.39 OC1CC2C=CC1C2 102838 [0,0,0,2,0,0|1,0,0]=3