0 B11R1.40 C#CC(C)OC1CCCCO1 SY248525 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 CC(CO)CC1CCNCC1 SY272697 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 COC(=O)CC1CCCCC1 SY011892 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 COC(=O)CC1CCCNC1 SY014801 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 COC(=O)CC1CCNCC1 SY014723 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 COC(=O)C[C@H]1CCCNC1 SY030579 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 BrCCCN1CCCCC1 SY034421 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 COCCN1CCNCC1 SY002314 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 COCC[C@@H]1CCCCN1 SY105723 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 NCCOC1CCCCC1 SY006719 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NNCCC1CCCCC1 SY193552 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 NOCCC1CCCCC1 SY281847 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 NOCCC1CCCCC1 SY281848 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 OCCCC1CCCCN1 SY023124 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 OCCCC1CCCNC1 SY022171 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 OCCCC1CCNCC1 SY002538 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 OCCCN1CCCCC1 SY001213 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 OCCOC1CCCCC1 SY006715 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 CC(=O)CC1CCCCC1 SY106383 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.18 CC(=O)NC1CCCCC1 SY269916 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.18 CC(C)CN1CCNCC1 SY002318 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.18 CN(C)CC1CCCNC1 SY274070 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.18 CN(C)CC1CNCCO1 SY123433 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.18 NC(=O)CC1CCNCC1 SY173806 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.18 NC(=O)NC1CCCCC1 SY049431 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 SY033785 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 SY018400 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O SY029793 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O SY033744 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.50 COC(=O)CC1CCCC(O)C1 SY028736 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.194 CC(C)(CO)CC1CCNCC1 SY272699 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.3524 COC(=O)CC1(N)CCCCC1 SY031120 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.74 CCCCCCCC(=O)NN SY032684 [0,0,1,0,0,0|2,0,1]=4 33 B10R0.74 CCCCCCCC(=O)NO SY020160 [0,0,1,0,0,0|2,0,1]=4 34 B12R2.24 C[C@H]1CN2CCOCC2CN1 SY275002 [0,0,0,1,0,0|2,0,0]=3 35 B12R2.32 CCN1CC2CCCNC2C1 SY005319 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.32 [C@@H]12CNCCN1C[C@@H](OC)C2 SY278069 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.32 [C@@H]12CNCCN1C[C@@H](OC)C2 SY280394 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.2058 C1CN(CC2CCNCC2)C1 SY278085 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.2918 O=C1CC2(CCCCC2)CN1 SY006466 [0,0,0,1,0,0|1,0,1]=3 40 B12R2.2918 O=C1CC2(CCNCC2)CN1 SY027557 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.15 CCC(O)C1CCOCC1 SY261690 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.15 CNC(=O)C1CCCNC1 SY027847 [0,0,0,0,1,0|2,0,1]=4 43 B10R1.15 NC(CO)C1CCCCC1 SY285679 [0,0,0,0,1,0|3,0,0]=4 44 B10R1.15 N[C@@H](CF)C1CCCCC1 SY045880 [0,0,0,0,1,0|3,0,0]=4 45 B10R1.15 N[C@@H](CO)C1CCCCC1 SY038513 [0,0,0,0,1,0|3,0,0]=4 46 B10R1.15 N[C@H](CF)C1CCCCC1 SY045879 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.15 N[C@H](CO)C1CCCCC1 SY038313 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.15 N[C@H](CO)C1CCCCC1 SY038597 [0,0,0,0,1,0|3,0,0]=4 49 B12R1.27 CNC(=O)CCC1CCNCC1 SY285594 [0,0,0,0,0,1|2,0,1]=4 50 B9R0.40 CCCCC(CO)CCC SY298970 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.45 CCCCCCCCC=O SY016777 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.8 BrCCC1CCCCC1 SY059439 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.8 BrCCC1CCNCC1 SY262909 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 BrCCC1CCOCC1 SY023337 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.8 BrCCN1CCCCC1 SY040485 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 CCCN1CCCCC1 SY275647 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 CCNC1CCNCC1 SY015269 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 CCNC1CCOCC1 SY042629 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 CNCC1CCOCC1 SY030643 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 CNC[C@@H]1COCCO1 SY224435 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CNC[C@@H]1COCCO1 SY225468 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.8 COCC1CCNCC1 SY005448 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 ClCCC1CCNCC1 SY247767 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 NCCC1CCCCC1 SY024342 [2,0,0,0,0,0|0,0,0]=2 65 B9R1.8 NCCC1CCOCC1 SY025283 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 NCCC1CCOCC1 SY106797 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.8 NCCC1CCSCC1 SY030714 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.8 NNCC1CCCCC1 SY048084 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.8 NOCC1CCCCC1 SY281548 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.8 NOCC1CCCCC1 SY281549 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.8 NOCC1CCOCC1 SY281581 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.8 NOCC1CCOCC1 SY281582 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 O=CCC1CCCCC1 SY025196 [2,0,0,0,0,0|1,0,1]=4 74 B9R1.8 OCCC1CCCCC1 SY011885 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.8 OCCC1CCCNC1 SY011954 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.8 OCCC1CCNCC1 SY002532 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 OCCC1CCOCC1 SY022782 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.8 OCCN1CCCCC1 SY009520 [2,0,0,0,0,0|2,0,0]=4 79 B11R0.106 CCC(N)CCCCC(N)CC SY270812 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.1 CNCCC1CCN(C)CC1 SY261896 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.1 N#CCC[C@H]1CC[C@H](N)CC1 SY290082 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.1 N#CCC[C@H]1CC[C@H](N)CC1 SY293150 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.28 BrCCCCC1CCOCC1 SY043172 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.28 BrCCCCN1CCCCC1 SY040490 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.28 CCNCCN1CCCCC1 SY024484 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.28 CCNCCN1CCOCC1 SY024486 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.28 OCCCCC1CCCCN1 SY022163 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.28 OCCCCC1CCCNC1 SY022162 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.28 OCCCCC1CCNCC1 SY011920 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.28 OCCCCC1CCNCC1 SY012562 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.28 OCCCCN1CCCCC1 SY264907 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.91 O=C(O)CCC1CCCCC1 SY035577 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.91 O=[N+]([O-])CCC1CCCCC1 SY266600 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.900 CCCC[N+]1(C)CCCCC1 SY060061 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.20 CN(C)C[C@H]1CC[C@@H](N)CC1 SY288704 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.36 CC(C)C(O)C1CCNCC1 SY273638 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.509 CC(C)(F)CN1CCNCC1 SY253707 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.509 CC(C)(O)CC1CCNCC1 SY273639 [1,1,0,0,0,0|1,0,0]=3 99 B13R1.133 CN(C)C(=O)C[C@H]1CC[C@@H](N)CC1 SY292034 [0,2,0,0,0,0|1,0,1]=4 100 B11R2.20 C1CCN2CCNCC2C1 SY014150 [1,0,0,1,0,0|1,0,0]=3 101 B11R2.20 C1COC2CCNCC2C1 SY032540 [1,0,0,1,0,0|1,0,0]=3 102 B11R2.20 [C@@H]12CNCCN1CCOC2 SY097939 [1,0,0,1,0,0|2,0,0]=4 103 B11R2.20 [C@@H]12CNCCN1CCOC2 SY275672 [1,0,0,1,0,0|2,0,0]=4 104 B11R2.20 [C@H]12CNCCN1CCOC2 SY069201 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.20 [C@H]12CNCCN1CCOC2 SY275674 [1,0,0,1,0,0|2,0,0]=4 106 B11R2.238 C1CNCC(CC2CC2)C1 SY265272 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.239 C1CN(C2CNC2)CCO1 SY097154 [1,0,0,1,0,0|2,0,0]=4 108 B11R2.239 C1CN(C2CNC2)CCO1 SY097447 [1,0,0,1,0,0|2,0,0]=4 109 B11R2.1261 C1CC2(CCN1)CCOC2 SY097917 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.1261 C1CC2(CCOCC2)CN1 SY042014 [1,0,0,1,0,0|1,0,0]=3 111 B11R2.1261 C1CC2(CCOCC2)CN1 SY098800 [1,0,0,1,0,0|1,0,0]=3 112 B11R2.1261 C1CCC2(C1)CCNCC2 SY123750 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.1261 C1CCC2(CC1)CCNC2 SY065554 [1,0,0,1,0,0|0,0,0]=2 114 B11R2.10 CN1CC2CCCNC2C1 SY003239 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.10 CN1CC2CCNCC2C1 SY272948 [1,0,0,1,0,0|2,0,0]=4 116 B11R2.703 CN1CC2(CCNCC2)C1 SY103514 [1,0,0,1,0,0|2,0,0]=4 117 B11R2.703 CN1CC2(CCNCC2)C1 SY285897 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.703 NC1CC2(CCNCC2)C1 SY285896 [1,0,0,1,0,0|1,0,0]=3 119 B11R2.703 O=C1CC2(CCCCC2)C1 SY147479 [1,0,0,1,0,0|1,0,1]=4 120 B13R2.64 C1CNCC(CC2CCCO2)C1 SY265258 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.1759 CNC1CC2CCCC(C1)N2C SY002945 [0,1,0,1,0,0|1,0,0]=3 122 B13R3.3861 BrC1C2CC3CC(C2)CC1C3 SY015968 [0,0,0,2,0,0|2,0,0]=4 123 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 SY005737 [0,0,0,2,0,0|2,0,0]=4 124 B9R1.12 NCCCC1CCCC1 SY057560 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.6 CC(=O)C1CCCCC1 SY013522 [1,0,0,0,1,0|1,0,1]=4 126 B9R1.6 CC(C)C1CNCCO1 SY150010 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.6 CC(O)C1CCCCC1 SY101045 [1,0,0,0,1,0|1,0,0]=3 128 B9R1.6 CC(O)C1CCNCC1 SY033362 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.6 CN(C)C1CCCNC1 SY023938 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.6 CN(C)C1CCNCC1 SY002772 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.6 CN(C)C1CCNCC1 SY020144 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.6 CN(C)[C@H]1CCCNC1 SY270375 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.13 CN(C)CC1CCNC1 SY265551 [1,0,0,0,1,0|2,0,0]=4 134 B11R1.203 CNCCN1CCCCCC1 SY262321 [1,0,0,0,0,1|1,0,0]=3