0 B9R0.45 BrCCCCCCCCBr SY013819 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.45 BrCCOCCOCCBr SY251171 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 C#CCCCCCCCO SY105480 [0,0,0,0,0,0|1,1,1]=3 3 B9R0.45 C=CCCCCCCCBr SY105453 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 CCCCCCCCC=O SY016777 [0,0,0,0,0,0|1,1,1]=3 5 B9R0.45 ICCOCCOCCI SY052478 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 NCCCCCCCCO SY055500 [0,0,0,0,0,0|1,1,0]=2 7 B9R0.45 NCCCSSCCCN SY298776 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.45 NCCOCCOCCO SY023358 [0,0,0,0,0,0|3,1,0]=4 9 B9R0.45 O=CCCCCCCCBr SY299590 [0,0,0,0,0,0|1,1,1]=3 10 B9R0.45 OCCCCCCCCBr SY019465 [0,0,0,0,0,0|1,1,0]=2 11 B9R0.45 OCCCCCCCCCl SY019464 [0,0,0,0,0,0|1,1,0]=2 12 B9R0.45 OCCCCCCCCO SY006277 [0,0,0,0,0,0|0,2,0]=2 13 B9R0.45 OCCNCCNCCO SY051533 [0,0,0,0,0,0|2,2,0]=4 14 B9R0.45 OCCOCCOCCBr SY260735 [0,0,0,0,0,0|3,1,0]=4 15 B9R0.45 [N-]=[N+]=NCCCCCCBr SY297124 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.4 BrCCCCCCCBr SY050897 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 C#CCCCCCCO SY051403 [1,0,0,0,0,0|0,1,2]=4 18 B8R0.4 C=CCCCCCCBr SY032409 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 CCCCCCCON SY281820 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.4 CCCCCCCON SY281821 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.4 CCCCOCCC#N SY016496 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 CCOCCNCCN SY301811 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.4 COCCCCCCBr SY040480 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 ClCCCCCCCCl SY055886 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.4 ClCCCOCCCCl SY116045 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.4 OCCCCCCCBr SY019463 [1,0,0,0,0,0|1,1,0]=3 27 B8R0.4 OCCCCCCCO SY010789 [1,0,0,0,0,0|0,2,0]=3 28 B8R0.4 OCCCOCCCO SY116704 [1,0,0,0,0,0|1,2,0]=4 29 B10R0.4 CCCCCCCCB(O)O SY031616 [0,1,0,0,0,0|2,1,0]=4 30 B10R0.4 CCCCCCCC[N+](=O)[O-] SY266562 [0,1,0,0,0,0|2,1,0]=4 31 B10R0.4 NCCCCCCCC(=O)O SY043332 [0,1,0,0,0,0|1,1,1]=4 32 B10R0.4 O=C(O)CCCCCCCO SY022019 [0,1,0,0,0,0|0,2,1]=4 33 B10R0.4 O=[N+]([O-])CCCCCCCO SY266583 [0,1,0,0,0,0|1,2,0]=4 34 B10R0.71 BrCCCCCCCCCBr SY018310 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.71 C=CCCCCCCCCBr SY036926 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.71 ClCCCCCCCCCCl SY033661 [0,1,0,0,0,0|2,0,0]=3 37 B10R0.71 ClCCCCOCCCCCl SY050223 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.71 OCCCCCCCCCBr SY015344 [0,1,0,0,0,0|1,1,0]=3 39 B10R0.71 OCCCCCCCCCO SY015121 [0,1,0,0,0,0|0,2,0]=3 40 B10R0.91 C#CCCC(O)CCCCC SY291821 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.17 BrCCCN1CCCCC1 SY034421 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.17 BrCCOC1CCCCO1 SY038937 [0,0,0,1,0,0|2,1,0]=4 43 B10R1.17 COCC[C@@H]1CCCCN1 SY105723 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.17 NCCOC1CCCCC1 SY006719 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.17 NNCCC1CCCCC1 SY193552 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.17 NOCCC1CCCCC1 SY281847 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.17 NOCCC1CCCCC1 SY281848 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.17 OCCCC1CCCCN1 SY023124 [0,0,0,1,0,0|1,1,0]=3 49 B10R1.17 OCCCC1CCCNC1 SY022171 [0,0,0,1,0,0|2,1,0]=4 50 B10R1.17 OCCCC1CCNCC1 SY002538 [0,0,0,1,0,0|2,1,0]=4 51 B10R1.17 OCCCN1CCCCC1 SY001213 [0,0,0,1,0,0|2,1,0]=4 52 B10R1.17 OCCOC1CCCCC1 SY006715 [0,0,0,1,0,0|2,1,0]=4 53 B10R1.19 O=CC1CCCCCC1Cl SY264304 [0,0,0,1,0,0|1,1,1]=4 54 B10R1.20 OC[C@@H]1CCCC[C@H]1CO SY078689 [0,0,0,1,0,0|0,2,0]=3 55 B10R1.21 BrCCCCN1CCCC1 SY040484 [0,0,0,1,0,0|3,0,0]=4 56 B10R1.21 NCCCCN1CCCC1 SY122144 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.78 O=C1CCCCCCCC1 SY129777 [0,0,0,1,0,0|1,1,1]=4 58 B10R1.85 OCCN1CCCCCC1 SY101139 [0,0,0,1,0,0|2,1,0]=4 59 B10R1.177 BrCCCCCCC1CO1 SY307689 [0,0,0,1,0,0|1,1,0]=3 60 B7R0.1 CCCCCCON SY281668 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 CCCCCCON SY281669 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 ClCCCCCCBr SY049099 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 ClCCCCCCI SY049747 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.1 NCCCCCCO SY003099 [2,0,0,0,0,0|1,1,0]=4 65 B7R0.1 OCCCCCCBr SY017128 [2,0,0,0,0,0|1,1,0]=4 66 B7R0.1 OCCCCCCCl SY001629 [2,0,0,0,0,0|1,1,0]=4 67 B9R0.2 CCCCCCCC(=O)[O-] SY014939 [1,1,0,0,0,0|0,1,1]=4 68 B9R0.2 CCCCCCC[N+](=O)[O-] SY266539 [1,1,0,0,0,0|1,1,0]=4 69 B9R0.46 CCCCCCC(O)CO SY031445 [1,1,0,0,0,0|0,1,0]=3 70 B11R0.148 CC(=O)CCCCCCCCBr SY284835 [0,2,0,0,0,0|1,1,0]=4 71 B11R0.148 CCCCCCCCCC(=O)O SY061635 [0,2,0,0,0,0|1,1,0]=4 72 B11R0.148 CCCCCCCCCC(=O)[O-] SY104388 [0,2,0,0,0,0|1,1,0]=4 73 B11R0.148 CCCCCCCCC[N+](=O)[O-] SY253221 [0,2,0,0,0,0|1,1,0]=4 74 B11R0.148 O=C(O)CCCCCCCCBr SY026441 [0,2,0,0,0,0|1,1,0]=4 75 B11R0.148 O=C(O)CCCCCCCCO SY022017 [0,2,0,0,0,0|0,2,0]=4 76 B11R0.148 O=[N+]([O-])CCCCCCCCBr SY266578 [0,2,0,0,0,0|1,1,0]=4 77 B11R0.148 O=[N+]([O-])CCCCCCCCO SY266584 [0,2,0,0,0,0|0,2,0]=4 78 B11R0.3 BrCCCCCCCCCCBr SY012704 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.3 C=CCCCCCCCCCBr SY038269 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.3 C=CCCCCCCCCCO SY011350 [0,2,0,0,0,0|1,1,0]=4 81 B11R0.3 CCCCCCCCCCC=O SY048699 [0,2,0,0,0,0|1,1,0]=4 82 B11R0.3 CCCCCCCCCCON SY281732 [0,2,0,0,0,0|1,1,0]=4 83 B11R0.3 CCCCCCCCCCON SY281733 [0,2,0,0,0,0|1,1,0]=4 84 B11R0.3 CCCCCCCCNCCN SY020672 [0,2,0,0,0,0|2,0,0]=4 85 B11R0.3 OCCCCCCCCCCBr SY010093 [0,2,0,0,0,0|1,1,0]=4 86 B11R0.106 CCC(N)CCCCC(N)CC SY270812 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.8 BrCCC1CCCCC1 SY059439 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.8 BrCCC1CCNCC1 SY262909 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 BrCCC1CCOCC1 SY023337 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 BrCCN1CCCCC1 SY040485 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 CCCN1CCCCC1 SY275647 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 ClCCC1CCNCC1 SY247767 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.8 NCCC1CCCCC1 SY024342 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.8 NCCC1CCOCC1 SY025283 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.8 NCCC1CCOCC1 SY106797 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 NCCC1CCSCC1 SY030714 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.8 NNCC1CCCCC1 SY048084 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.8 NOCC1CCCCC1 SY281548 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.8 NOCC1CCCCC1 SY281549 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.8 O=CCC1CCCCC1 SY025196 [1,0,0,1,0,0|0,1,1]=4 101 B9R1.8 OCCC1CCCCC1 SY011885 [1,0,0,1,0,0|0,1,0]=3 102 B9R1.8 OCCC1CCCNC1 SY011954 [1,0,0,1,0,0|1,1,0]=4 103 B9R1.8 OCCC1CCNCC1 SY002532 [1,0,0,1,0,0|1,1,0]=4 104 B9R1.8 OCCC1CCOCC1 SY022782 [1,0,0,1,0,0|1,1,0]=4 105 B9R1.8 OCCN1CCCCC1 SY009520 [1,0,0,1,0,0|1,1,0]=4 106 B9R1.12 BrCCCN1CCCC1 SY040487 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.12 ClCCCN1CCCC1 SY003325 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.12 ClCCCN1CCCC1 SY234060 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.12 NCCCC1CCCC1 SY057560 [1,0,0,1,0,0|1,0,0]=3 110 B9R1.12 NCCCN1CCCC1 SY012644 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.12 NCCOC1CCCC1 SY006718 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.12 NCCOC1CCCC1 SY007808 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.12 OCCCN1CCCC1 SY024340 [1,0,0,1,0,0|1,1,0]=4 114 B9R1.12 OCCOC1CCCC1 SY006714 [1,0,0,1,0,0|1,1,0]=4 115 B9R1.14 CCN1CCCC1CN SY007096 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.14 CCN1CCCC1CO SY081976 [1,0,0,1,0,0|1,1,0]=4 117 B9R1.15 CC1CCCCC1NN SY047251 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.15 CN1CCCCC1CO SY005303 [1,0,0,1,0,0|1,1,0]=4 119 B9R1.15 N[C@@H]1CCCC[C@H]1CO SY025328 [1,0,0,1,0,0|1,1,0]=4 120 B9R1.33 CN1CCCC1CCN SY050705 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.33 CN1CCCC1CCO SY014916 [1,0,0,1,0,0|1,1,0]=4 122 B11R1.4 BrCCCCCN1CCCC1 SY040493 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.28 BrCCCCC1CCOCC1 SY043172 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.28 BrCCCCN1CCCCC1 SY040490 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.28 BrCCCOC1CCCCO1 SY012338 [0,1,0,1,0,0|1,1,0]=4 126 B11R1.28 OCCCCC1CCCCN1 SY022163 [0,1,0,1,0,0|1,1,0]=4 127 B11R1.28 OCCCCC1CCCNC1 SY022162 [0,1,0,1,0,0|1,1,0]=4 128 B11R1.28 OCCCCC1CCNCC1 SY011920 [0,1,0,1,0,0|1,1,0]=4 129 B11R1.28 OCCCCC1CCNCC1 SY012562 [0,1,0,1,0,0|1,1,0]=4 130 B11R1.28 OCCCCN1CCCCC1 SY264907 [0,1,0,1,0,0|1,1,0]=4 131 B11R1.203 NCCCN1CCCCCC1 SY079400 [0,1,0,1,0,0|2,0,0]=4 132 B11R2.3 NC1CCCC12CCCO2 SY265860 [0,0,0,2,0,0|1,1,0]=4 133 B11R2.1034 C(CCC1CO1)CC2CO2 SY031422 [0,0,0,2,0,0|0,2,0]=4