0 B11R1.16 N#CCC(=O)N1CCCCC1 BB12-1485 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 NCCC(=O)N1CCCCC1 BB57-4021 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 NCCC(=O)N1CCOCC1 BB57-4027 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 CNC(=O)C1CCCNC1 BB55-6540 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.15 COC(=O)C1CCCCN1 BB12-2972 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.15 COC(=O)C1CNCCN1 BB20-0374 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.15 NNC(=O)C1CCCNC1 BB12-2759 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.15 NNC(=O)C1CCNCC1 BB12-2753 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 NNC(=O)C1CCOCC1 BB55-8644 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.15 N\C(=N/O)C1CCCCC1 BB58-4496 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 CCCCC1CCCCN1 BB56-0666 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 CCCNC1CCOCC1 BB53-1520 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 CCCOC1CCNCC1 BB01-3707 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 CCNCC1CCOCC1 BB55-3592 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.17 CCOCC1CCCNC1 BB53-1687 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.17 CCOCC1CCNCC1 BB53-1667 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.17 CCOCC1CCNCC1 BB56-2582 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.17 NCCCC1CCCCC1 BB20-3102 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 NCCSC1CCCCC1 BB58-0596 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 OCCNC1CCCCC1 BB57-6993 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.16 CCNC(=O)N1CCC(N)CC1 BB53-1538 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.17 CCOC(=O)N1CC=CC(O)C1 BB58-0381 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.30 C=CCOC(=O)N1CCNCC1 BB32-2206 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.30 CCCOC(=O)C1CCCCN1 BB57-4903 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.30 CN(CCCN)C1CCCCC1 BB01-8206 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.34 CCC(N)C(=O)N1CCCCC1 BB57-4038 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.34 CCC(N)C(=O)N1CCOCC1 BB57-4044 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.308 CCOC(=O)C1=C(N)CCCC1 BB57-6559 [0,1,0,0,0,0|0,0,2]=3 28 B12R1.1595 CCOC(=O)C1(N)CCOCC1 BB58-3176 [0,1,0,0,0,0|1,0,0]=2 29 B12R2.2 C1CCC(C2CCCN2)CC1 BB05-4133 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.2 C1CCC(C2CCCN2)CC1 BB56-0758 [0,0,0,1,0,0|2,0,1]=4 31 B12R2.2 C1CCC(C2CCCO2)NC1 BB56-0897 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.2 C1CCC(N2CCCC2)CC1 BB55-7115 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.8 O=C1OCCC12CCNCC2 BB32-2325 [0,0,0,1,0,0|1,0,0]=2 34 B10R1.11 NCCC(=O)N1CCCC1 BB55-6544 [0,0,0,0,1,0|3,0,0]=4 35 B12R1.32 CCOC(=O)CC1CCCCO1 BB54-2973 [0,0,0,0,0,1|1,0,0]=2 36 B12R1.32 CCOC(=O)CN1CCCCC1 BB12-3620 [0,0,0,0,0,1|1,0,0]=2 37 B12R1.32 CCOC(=O)CN1CCOCC1 BB12-1546 [0,0,0,0,0,1|2,0,0]=3 38 B12R1.32 CCOC(=O)CN1CCSCC1 BB55-4773 [0,0,0,0,0,1|2,0,0]=3 39 B12R1.32 N#CCC(=O)NC1CCCCC1 BB12-1422 [0,0,0,0,0,1|2,0,1]=4 40 B9R0.5 CCNCCC(=O)OCC BB12-1650 [1,0,1,0,0,0|1,0,0]=3 41 B9R0.5 [C-]#[N+]CCCC(=O)OCC BB56-1524 [1,0,1,0,0,0|1,0,1]=4 42 B9R0.46 CCCCCCC(=O)NN BB12-1542 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.8 COC(=O)C(N)CCCN BB57-6639 [1,0,1,0,0,0|2,0,0]=4 44 B9R0.35 CCOC(=O)C(C)CNC BB12-1638 [1,0,1,0,0,0|1,0,0]=3 45 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 NC(=O)[C@@H]1CCCNC1 BB31-2173 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 NC(=S)C1CCCCC1 BB57-4606 [2,0,0,0,0,0|1,1,0]=4 50 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 COCC1CCCCN1 BB56-0722 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.8 COCC1CCCNC1 BB31-7247 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.8 COCC1CCCNC1 BB53-1686 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.8 NCCC1CCCCC1 BB55-8639 [2,0,0,0,0,0|1,0,1]=4 60 B11R0.4 CCCCSCCC(=O)OCC BB54-0238 [0,1,1,0,0,0|0,0,0]=2 61 B11R0.5 CCOC(=O)CN(C)CCOC BB12-3668 [0,1,1,0,0,0|2,0,0]=4 62 B11R0.56 [C-]#[N+]C(CC(C)C)C(=O)OCC BB56-0004 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.22 CCC(=O)N1CCC(N)CC1 BB53-1531 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.23 COC(=O)C1CCNC(=O)C1 BB58-1372 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.23 COC(=O)N1CCCC(O)C1 BB12-1763 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.36 CC(N)C(=O)N1CCOCC1 BB57-4028 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.36 CN(C)C(=O)C1CCNCC1 BB55-7117 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)C1CC=CCC1N BB57-4280 [1,1,0,0,0,0|0,0,2]=4 69 B11R1.222 COC(=O)C1CCCCC1N BB57-4268 [1,1,0,0,0,0|0,0,0]=2 70 B11R1.222 COC(=O)C1CCCNC1=O BB54-0453 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.878 COC(=O)C1(C)CCCCN1 BB57-1750 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.878 COC(=O)C1(C)CCCCO1 BB12-2061 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.878 COC(=O)C1(C)CCNCC1 BB57-1734 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.878 COC(=O)C1(C)CNCCO1 BB58-4220 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.878 COC(=O)C1(N)CCCCC1 BB55-8832 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.91 CC(C)OCC1CCNCC1 BB12-1120 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.31 CCC(N)C(=O)N1CCCC1 BB57-4020 [0,1,0,0,1,0|2,0,0]=4 78 B11R1.199 CCOC(=O)C1CCCC1=O BB01-7563 [0,1,0,0,1,0|0,0,1]=3 79 B11R1.819 CCOC(=O)C1(N)CCCC1 BB55-8641 [0,1,0,0,1,0|0,0,0]=2 80 B13R1.19 CCOC(=O)CC1CCC(O)CC1 BB32-3463 [0,1,0,0,0,1|0,0,0]=2 81 B13R1.19 CCOC(=O)CN1CCC(C)CC1 BB17-0217 [0,1,0,0,0,1|1,0,0]=3 82 B13R1.47 CCOC(=O)C(=O)N1CCCCC1 BB58-3290 [0,1,0,0,0,1|1,0,0]=3 83 B13R1.47 CCOC(=O)C(=O)N1CCOCC1 BB57-2488 [0,1,0,0,0,1|2,0,0]=4 84 B13R1.2570 CCOC(=O)CC1(N)CCCCC1 BB01-8059 [0,1,0,0,0,1|0,0,0]=2 85 B13R1.1463 CCOC(=O)C1CCNC(=O)CC1 BB20-3401 [0,1,0,0,0,1|0,0,1]=3 86 B13R1.2620 CCC(N)C(=O)N1CCCCCC1 BB57-4055 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.17 CCCCC(=O)N1CCC(N)CC1 BB53-1413 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.132 CC(C)CC(=O)N1CCC(N)CC1 BB53-1340 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.452 CCOC(=O)C1CCN(CC)CC1 BB12-2999 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.452 CCOC(=O)N1CCC(CO)CC1 BB53-1382 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.460 CCOC(=O)C1CCCN(CC)C1 BB58-0810 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.460 CCOC(=O)N1CCCC(CO)C1 BB53-1379 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.152 CC(C)C(N)C(=O)N1CCCCC1 BB57-4054 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.352 CC(C)(C)OC(=O)C1CCCCN1 BB31-2616 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.352 CC(C)(C)OC(=O)C1CCCNC1 BB32-1423 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.352 CC(C)(C)OC(=O)N1CCNCC1 BB56-2423 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.352 CC(C)(C)OC(=O)[C@H]1CCCCN1 BB32-0285 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.4472 CCOC(=O)C1(C#N)CCOCC1 BB57-1093 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.4472 CCOC(=O)C1(CO)CCCCC1 BB31-8630 [0,2,0,0,0,0|0,0,0]=2 100 B13R1.4472 [C-]#[N+]C1(C(=O)OCC)CCCCC1 BB56-0007 [0,2,0,0,0,0|0,0,0]=2 101 B11R1.30 CCOC(=O)CN1CCCC1 BB12-2887 [0,0,1,1,0,0|1,0,0]=3 102 B11R1.831 CCOC(=O)C1(CO)CCC1 BB31-0816 [0,0,1,1,0,0|1,0,0]=3 103 B11R2.1 O=C1CCC2CNCCN12 BB31-8967 [1,0,0,1,0,0|2,0,0]=4 104 B11R2.40 NC1(C2CCCCC2)CC1 BB57-6087 [1,0,0,1,0,0|1,0,1]=4 105 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 BB57-3740 [1,0,0,1,0,0|1,0,1]=4 106 B11R2.238 C1CCC(NC2CC2)CC1 BB12-1356 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.1261 C1CCC2(CC1)CCNC2 BB55-7020 [1,0,0,1,0,0|1,0,1]=4 108 B11R2.106 O=C1CCNC2CCCC12 BB54-5685 [0,0,0,1,1,0|2,0,0]=4 109 B13R2.15 O=C1CCCN1C2CCNCC2 BB32-2359 [0,0,0,1,0,1|2,0,0]=4 110 B13R2.4014 C=C1OC(=O)OC12CCCCC2 BB54-0131 [0,0,0,1,0,1|0,0,2]=4 111 B13R2.844 CCOC(=O)N1CCC2OC2C1 BB58-0380 [0,0,0,1,0,1|1,0,0]=3 112 B13R2.520 NC1CCN(C(=O)C2CC2)CC1 BB53-1491 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.14 O=C1NCCCC12CCNCC2 BB58-3755 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.371 CN1CCC(=O)C2CCCCC21 BB54-0715 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.8137 O=C(C1CNC1)N2CCCCC2 BB58-0668 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [1,0,0,0,1,0|1,0,0]=3 117 B9R1.11 CNC(=O)C1CCCN1 BB58-0643 [1,0,0,0,1,0|2,0,0]=4 118 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [1,0,0,0,1,0|0,0,0]=2 119 B9R1.11 COC(=O)[C@@H]1CSCN1 BB58-1738 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.11 NCC(=O)N1CCCC1 BB57-2442 [1,0,0,0,1,0|2,0,0]=4 121 B9R1.11 NNC(=O)C1CCCC1 BB12-2640 [1,0,0,0,1,0|2,0,0]=4 122 B9R1.73 CCOC(=N)C1CCC1 BB58-5066 [0,0,0,0,2,0|1,0,0]=3 123 B13R1.42 CCOC(=O)CCC1CCCNC1 BB57-0958 [0,0,0,0,0,2|1,0,0]=3 124 B13R1.42 CCOC(=O)CCC1CCNCC1 BB57-0957 [0,0,0,0,0,2|1,0,0]=3