0 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 C\C=C\C=C\COC(C)=O BB31-2942 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.4 CCCCOCCOC BB31-4759 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.7 CC(C)CCCCCO BB31-3290 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.3 CCCC(=O)CCCC(=O)O BB31-4914 [0,1,0,0,0,0|2,0,1]=4 6 B10R0.4 C#CCCCCCCC(=O)O BB31-4635 [0,1,0,0,0,0|2,0,1]=4 7 B10R0.75 CCCCCC[C@@H](N)C(=O)O BB31-8419 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.18 CC(=O)CN1CCCCC1 BB52-8399 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.18 CC(=O)CN1CCOCC1 BB52-8400 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.18 CC(=O)NC1CCCCC1 BB31-5197 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.18 O=C(O)C=C1CCCCC1 BB31-2951 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.18 O=C(O)CC1CCNCC1 BB52-6002 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.39 CC(=O)N1CCCC1C=O BB31-0666 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.39 CC(=O)N1CCC[C@H]1CO BB32-3891 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.39 CCN1CCCC1C(=O)O BB52-8702 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.61 CC(=O)N1CCCCC1=O BB32-1384 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O BB31-3040 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.64 CN1CCCC1CC(=O)O BB58-3129 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.66 O=C(O)CCN1CCCC1 BB52-8424 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.66 O=C(O)\C=C\C1CCCC1 BB31-9891 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.348 NC(=O)C1CCCCCC1 BB32-0810 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.348 O=C(O)C1CCCNCC1 BB31-7509 [0,0,0,1,0,0|3,0,0]=4 23 B7R0.1 CCCNCCOC BB31-6246 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.4 NC(=O)CCCCO BB31-4574 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.18 CCCCC(N)CCCC BB31-5984 [1,1,0,0,0,0|1,0,1]=4 26 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [1,1,0,0,0,0|1,0,0]=3 28 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [1,1,0,0,0,0|2,0,0]=4 29 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [1,1,0,0,0,0|2,0,0]=4 30 B11R0.30 CC(=O)CCCCCCC(C)=O BB31-3292 [0,2,0,0,0,0|1,0,0]=3 31 B11R0.40 COC(=O)CCCCCCCBr BB31-8083 [0,2,0,0,0,0|1,0,0]=3 32 B11R0.40 COC(=O)CCCCCCCN BB31-8657 [0,2,0,0,0,0|1,0,0]=3 33 B11R0.148 C#CCCCCCCCC(=O)O BB31-3239 [0,2,0,0,0,0|2,0,0]=4 34 B11R0.148 NCCCCCCCCC(=O)O BB31-8434 [0,2,0,0,0,0|2,0,0]=4 35 B9R1.8 BrCCC1CCOCC1 BB31-5058 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.8 CCNC1CCOCC1 BB52-6005 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.8 CCOC1CCCNC1 BB31-0717 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.8 NCCC1CCOCC1 BB31-5827 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.8 O=CCC1CCOCC1 BB31-4719 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [1,0,0,1,0,0|0,0,0]=2 41 B9R1.2 NCC1CCNC(=O)C1 BB32-0239 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.13 CC(=O)N[C@H]1CCNC1 BB31-0573 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.13 CC(=O)OC1CCCO1 BB31-3264 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.157 CC(=O)CN1CCCC(C)C1 BB52-8402 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.86 CC(=O)CN1CCCCC1C BB52-8403 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.86 CC1CCCCN1CC(=O)O BB52-8696 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.86 CN1CCCCC1CC(=O)O BB52-8551 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.86 CN1CCCCC1CC(=O)O BB52-8555 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.91 O=C(O)CCC1CCNCC1 BB32-2599 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.91 O=C(O)CCC1CCOCC1 BB31-7811 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.742 CC(=O)CN1CCCCCC1 BB52-8398 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.742 O=C(O)CN1CCCCCC1 BB52-5709 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.20 CC(C)O[C@H]1CC[C@H](N)CC1 BB32-0718 [0,1,0,1,0,0|1,0,1]=4 67 B11R1.25 O=C(CBr)NCC1CCCO1 BB53-0762 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.222 CC1CCCCN1C(=O)CBr BB52-8941 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.852 CCC(=O)N1CCCNCC1 BB52-9102 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.852 COC(=O)C1CCCNCC1 BB31-2386 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.852 COC(=O)N1CCCNCC1 BB52-9155 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.852 O=C(CBr)N1CCCCCC1 BB52-9361 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.35 N[C@H](CC1CCCC1)C(=O)O BB31-7316 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.36 CC(=O)N(C)[C@@H]1CCCNC1 BB31-3934 [0,1,0,1,0,0|2,0,0]=4 75 B11R2.36 O=C1CCN2CCCC2C1 BB32-1195 [0,0,0,2,0,0|2,0,0]=4 76 B11R2.106 O=C1CNCC2CCCN12 BB31-0036 [0,0,0,2,0,0|2,0,0]=4 77 B11R2.106 O=C1CNC[C@@H]2CCCN12 BB31-9838 [0,0,0,2,0,0|2,0,0]=4 78 B11R2.1 O=C1CC[C@@H]2CNCCN12 BB31-8306 [0,0,0,2,0,0|2,0,0]=4 79 B11R2.1 O=C1OCC2CNCCN12 BB31-0272 [0,0,0,2,0,0|2,0,0]=4 80 B11R2.703 O=C1CC2(CCNCC2)C1 BB31-2436 [0,0,0,2,0,0|2,0,0]=4 81 B11R2.703 O=C1CC2(CCNCC2)N1 BB31-0977 [0,0,0,2,0,0|2,0,0]=4