0 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 CCCCNCC(=O)O BB20-0185 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.74 CCCCCCCC(=O)NN BB12-3109 [0,1,0,0,0,0|1,0,2]=4 4 B10R0.97 CC(C)NCCCNC(C)C BB12-2289 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.10 CCCN1CCCC(=O)C1 BB55-8107 [0,0,0,1,0,0|1,0,2]=4 6 B10R1.18 CC(C)CC1CCCCN1 BB56-1686 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.18 CC(C)CC1COCCN1 BB57-1002 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.18 CC(C)CN1CCNCC1 BB55-1677 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.18 CC(N)CN1CCCCC1 BB05-0922 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.18 CC(N)CN1CCOCC1 BB05-0920 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.18 CC(N)CN1CCOCC1 BB55-3492 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.18 CC(O)CN1CCNCC1 BB17-0647 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.18 CC(O)CN1CCOCC1 BB57-2238 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.18 CN(C)CC1CCCCN1 BB56-1879 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.18 O=C(O)CC1CCCCN1 BB54-1500 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.18 O=C(O)CC1CCCCO1 BB54-2724 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.18 O=C(O)CN1CCCCC1 BB12-3617 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.18 O=C(O)CN1CCCCC1 BB56-2134 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.39 CC(C)N1CCCC1CN BB57-2498 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.39 CCN1CCC[C@H]1C(=O)O BB12-3032 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.66 CC(O)CCC1CCCO1 BB54-0092 [0,0,0,1,0,0|1,0,0]=2 26 B10R1.66 O=C(O)CCC1CCCO1 BB54-2864 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.66 O=C(O)CCN1CCCC1 BB05-3788 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.348 CC(C)C1CCCCCN1 BB56-1718 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [0,0,0,1,0,0|2,0,1]=4 30 B7R0.1 CCCCOCCN BB53-1642 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.1 CCCCSCCN BB57-6671 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.1 CCCCSCCO BB54-1800 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.1 CCNCCNCC BB57-6994 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.4 CC(C)CCCCO BB12-2305 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CC(O)CNCCO BB57-2443 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 CCCCNC(C)C BB55-6366 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 CCCNCC(C)O BB58-2124 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.18 CCCCN(C)CCCN BB01-5257 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.45 CCCCCC#CCCO BB12-2262 [1,1,0,0,0,0|0,0,1]=3 41 B11R0.148 CCCCSCCCCC(=O)O BB54-4514 [0,2,0,0,0,0|1,0,1]=4 42 B9R1.8 BrCCC1CCCCN1 BB54-3946 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.8 CCCN1CCNCC1 BB01-4863 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.8 CNCC1CCCCO1 BB12-3612 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.8 CNCC1CCCNC1 BB53-1684 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 CNCC1CCNCC1 BB53-1681 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 CNCC1COCCO1 BB01-4575 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.8 COCC1CCCCN1 BB56-0722 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.8 COCC1CCCNC1 BB31-7247 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.8 COCC1CCCNC1 BB53-1686 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.8 CSCC1CCCCN1 BB56-1708 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.8 CSCC1CCCNC1 BB12-1129 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.8 CSCC1CCNCC1 BB12-1119 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.8 N#CCC1CCCCO1 BB57-4940 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.8 NCCC1CCCCC1 BB55-8639 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.8 NCCC1CCCCO1 BB57-6510 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.8 NCCC1CCCNC1 BB12-2059 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.8 NCCC1CCCOC1 BB54-4864 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.8 NCCN1CCCCO1 BB58-3658 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.8 OCCC1CCCCO1 BB58-1902 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.8 OCCC1CCCOC1 BB58-0315 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.8 OCCC1CNCCO1 BB58-1901 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.12 CCCCC1CCCN1 BB56-0702 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.12 CCCCC1CCNC1 BB56-1976 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.12 NCCCC1CCCC1 BB32-3179 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.12 NCCCC1CCOC1 BB54-1028 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.12 NCCSC1CCCC1 BB58-0597 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.14 CCN1CCCC1CBr BB12-2883 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.14 CCN1CCCC1CCl BB58-2153 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.14 CCN1CCCC1CO BB12-1536 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.15 CN1CCCCC1CBr BB12-3106 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.15 CN1CCCCC1CCl BB55-5164 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.15 CN1CCCCC1CN BB53-1653 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB58-0623 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.50 O=C1CCCCCCC1 BB12-2910 [1,0,0,1,0,0|0,0,2]=4 77 B9R1.89 CCC1CCCNCC1 BB12-1654 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.89 CCN1CCCNCC1 BB58-1918 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.2 CCN1CCCC(N)C1 BB01-3841 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.6 CC(C)C1CCCCN1 BB56-1716 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.6 CC(N)C1CCCCN1 BB57-0751 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.13 CC(C)CC1CCCN1 BB56-0309 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.13 CC(C)CC1CCNC1 BB55-7023 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.13 CC(N)CN1CCCC1 BB54-5342 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.148 CC1(N)CCCCCC1 BB58-0625 [1,0,0,1,0,0|1,0,0]=3 89 B11R1.172 CN(C)CCNC1CCCC1 BB57-0960 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.172 O=C(O)CCCN1CCCC1 BB31-6636 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.24 NCCCN1CCCC(O)C1 BB57-0152 [0,1,0,1,0,0|1,0,0]=3 92 B11R1.91 CC(C)CCN1CCNCC1 BB55-1666 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.91 CC(C)OCC1CCNCC1 BB12-1120 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.91 CC(N)CCN1CCOCC1 BB54-3498 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.91 CN(C)CCC1CCNCC1 BB54-2844 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.91 O=C(O)CCC1CCCCN1 BB54-4041 [0,1,0,1,0,0|1,0,1]=4 97 B11R1.91 O=C(O)CCC1CCCNC1 BB54-3377 [0,1,0,1,0,0|1,0,1]=4 98 B11R1.91 O=C(O)CCC1CCNCC1 BB55-8640 [0,1,0,1,0,0|1,0,1]=4 99 B11R1.193 CCCN1CCCC1C(=O)O BB58-0838 [0,1,0,1,0,0|1,0,1]=4 100 B11R1.742 CC(C)CC1CCCCCN1 BB56-1612 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.742 CN(C)CC1CCCCCN1 BB56-1719 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.928 CC1(CC(=O)O)CCCCC1 BB58-5102 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.87 CC(C)(C)C1CCCCC1N BB55-1636 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.509 CC(C)(C)CC1CCCCN1 BB56-1117 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.1121 CC(C)(C)C1CCCCCN1 BB56-1776 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.1121 CC(C)(C)C1CCCNCC1 BB12-1621 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.20 CC(C)CN1CCC(N)CC1 BB05-3502 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.20 CC1CCC(CC(=O)O)CC1 BB58-4368 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.40 C#CC(C)NC1CCCCC1 BB55-7587 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.40 COC(C)CC1CCNCC1 BB57-1379 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.40 COC(O)CN1CCNCC1 BB17-0648 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.40 C\C(CN1CCCCC1)=N/O BB05-0886 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.214 CCCCN1CCC(CN)C1 BB57-4022 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.737 NC1(C(=O)O)CCCCCC1 BB55-6496 [0,1,0,1,0,0|1,0,1]=4 115 B11R2.1037 C1CCC2CCCC(C1)N2 BB55-6361 [0,0,0,2,0,0|1,0,0]=3 116 B11R2.238 C1CCC(NC2CC2)CC1 BB12-1356 [0,0,0,2,0,0|2,0,0]=4 117 B11R2.1852 O=C(O)C1C2CCCCC21 BB56-0805 [0,0,0,2,0,0|1,0,1]=4 118 B11R2.845 CC(N)C1CC2CCC1C2 BB05-1377 [0,0,0,2,0,0|1,0,0]=3 119 B11R2.845 CC(N)C1CC2CCC1C2 BB55-1086 [0,0,0,2,0,0|1,0,0]=3