0 B7R0.1 CCCCOCCN BB53-1642 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 CCCCSCCN BB57-6671 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCCCSCCO BB54-1800 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 CCNCCNCC BB57-6994 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 CCCCCNC BB57-3734 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.6 CCCCCNN BB12-2485 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 CCCSCCN BB53-1582 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 CCOCCNC BB57-2926 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 CCSCCNC BB12-0971 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 FCCCCCBr BB57-3968 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCCCS(=O)CCO BB54-4315 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.1 CCOC(=N)CCCCl BB12-2324 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.1 CCOC(=O)CCC#N BB12-3513 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)CCNC BB57-3648 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.2 BrCC1CCCNC1 BB54-4289 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 BrCC1CCCOC1 BB58-0130 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 C#CC1=CCCCC1 BB54-2654 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 CCC1CCNCC1 BB57-1743 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 CCC1CNCCO1 BB58-3597 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.2 CSC1=NCCCN1 BB57-4928 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 ClCC1CCCOC1 BB54-3984 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 NCC1=CCCCC1 BB58-1949 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.2 NCC1CCCCO1 BB57-5862 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.2 NCC1CCCOC1 BB54-2017 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 NCC1CCOCC1 BB54-2900 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 O=CC1CC=CCC1 BB01-8334 [0,0,0,1,0,0|0,0,2]=3 27 B8R1.2 OCC1CCCCC1 BB20-4574 [0,0,0,1,0,0|0,0,2]=3 28 B8R1.2 OCC1CCCCN1 BB56-1322 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.2 OCC1CCCOC1 BB12-1755 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.2 OCC1COCCO1 BB58-0092 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.5 CC1CCCNC1C BB57-6977 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.5 C[C@H]1CNCC[C@@H]1O BB58-3128 [0,0,0,1,0,0|1,0,1]=3 33 B8R1.5 O[C@H]1CNCC[C@H]1O BB58-3057 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.8 BrCCC1CCCC1 BB31-4074 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.8 CCCC1CCCN1 BB56-1742 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.8 CCCC1CCNC1 BB55-7022 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.8 NCCC1CCCC1 BB12-2130 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.8 NCCC1CCCN1 BB20-3166 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.8 NCCC1CCCO1 BB54-3985 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.8 OCCN1CCC=N1 BB55-7594 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.11 CN1C=CC=C1CO BB90-0093 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.11 CN1C=CN=C1CO BB55-8376 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.11 CN1CCCC1CO BB12-1660 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.22 CC1CCCCCN1 BB12-3099 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.22 CC1CCCNCC1 BB12-1445 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.22 CC1CNCCCO1 BB58-0305 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.36 CCCNCC1CC1 BB57-3733 [0,0,0,1,0,0|2,0,1]=4 48 B5R0.2 C=COCCN BB57-6790 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 CCC#CCO BB58-4730 [2,0,0,0,0,0|0,0,2]=4 50 B5R0.2 CCSCCN BB53-1545 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 CCSCCO BB54-1799 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.2 N#CCCCO BB58-5314 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 NNCCCO BB58-0747 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 OCCCCCl BB54-0721 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.3 CCC(=O)NCCN BB12-2323 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|0,0,1]=3 58 B7R0.3 CCN(C)CCCN BB12-1555 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.3 CCN(C)CCCO BB12-3254 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.3 CCNCC(O)CC BB57-7065 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.3 CNC(=O)CCCN BB55-7167 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.3 CSCCC(N)CO BB56-2047 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.3 NNC(=O)CCCO BB55-4806 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.4 CC(=O)NCCCN BB32-2735 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.4 CC(=O)NCCCO BB12-3384 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.4 CC(C)CCCCO BB12-2305 [1,1,0,0,0,0|0,0,1]=3 67 B7R0.4 CC(C)NCCCO BB55-6367 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.4 CC(O)CNCCO BB57-2443 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.4 CCCCNC(C)C BB55-6366 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.4 CCCNCC(C)O BB58-2124 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.4 CCO\C=C\C(C)C BB57-4132 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.4 CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.7 CCCC(N)CCC BB54-4015 [1,1,0,0,0,0|0,0,2]=4 74 B7R0.7 CCNC(C)CCO BB12-1398 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.7 CCOC(=N)CCCl BB12-2325 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.7 CCOC(=O)CCO BB12-1446 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.5 CCNCCC(=O)OCC BB12-1650 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.5 N#CCC(=O)NCCCO BB17-1789 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.5 [C-]#[N+]CCCC(=O)OCC BB56-1524 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,2,0,0,0,0|0,0,2]=4 81 B9R0.45 CCCCCC#CCCO BB12-2262 [0,2,0,0,0,0|0,0,2]=4 82 B7R1.1 CCC1CCCN1 BB55-8085 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.1 NCC1CCCO1 BB12-1343 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.3 BrC1CCSCC1 BB57-4184 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 CC1=CCNCC1 BB57-2457 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 CC1CCOCC1 BB32-2892 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.3 CC1CNCCO1 BB57-2444 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.3 NC1CCNCC1 BB58-0821 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 NC1CCOCC1 BB54-3533 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 OC1CCOCC1 BB12-1171 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 OC1CCSCC1 BB53-1540 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.6 OCCC1CCC1 BB31-5201 [1,0,0,1,0,0|0,0,1]=3 93 B7R1.7 CCCNC1CC1 BB55-3599 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.7 CCNCC1CC1 BB57-1086 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.24 C1CNCCNC1 BB12-2760 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.24 C1CNCCOC1 BB57-0752 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.2 CN1CCCC(CO)C1 BB12-1539 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.2 NCC1CCNC(=O)C1 BB31-2480 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.7 CC1=NN(CCO)C=C1 BB05-2450 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.8 CNCC1CCCCO1 BB12-3612 [0,1,0,1,0,0|0,0,2]=4 101 B9R1.8 COCC1CCCNC1 BB31-7247 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.8 COCC1CCCNC1 BB53-1686 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.8 NCCC1CCCCO1 BB57-6510 [0,1,0,1,0,0|0,0,2]=4 104 B9R1.8 NCCN1CCCCO1 BB58-3658 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.8 OCCC1CCCCO1 BB58-1902 [0,1,0,1,0,0|0,0,2]=4 106 B9R1.8 OCCC1CCCOC1 BB58-0315 [0,1,0,1,0,0|0,0,2]=4 107 B9R1.8 OCCC1CNCCO1 BB58-1901 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.12 OCCCC1=CNN=C1 BB05-4880 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.12 OCCCC1=CNN=C1 BB57-2164 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB58-0623 [0,1,0,1,0,0|0,0,2]=4 111 B9R1.33 CN1C=CC=C1CCO BB90-0117 [0,1,0,1,0,0|0,0,2]=4 112 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.49 CC1CCNC(=O)CC1 BB58-4537 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.50 O=C1CCCCCCC1 BB12-2910 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.73 CCOC(=N)C1CCC1 BB58-5066 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.14 CCN1CCCC1CO BB12-1536 [0,1,0,1,0,0|0,0,2]=4 117 B9R1.1 CC1=CCC(C=O)CC1 BB17-2241 [0,1,0,1,0,0|0,0,2]=4 118 B9R1.1 CN1CCC(CO)CC1 BB05-4226 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.1 CN1CCC(CO)CC1 BB12-1540 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.24 CC1(C)OCCC1CO BB58-3834 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.148 CC1(C)CNCCCO1 BB58-3765 [0,1,0,1,0,0|1,0,1]=4