0 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.4 CCCCOCCOC BB31-4759 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.4 ClCCCCCCCBr BB31-5515 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.7 C#CCOCCC(=O)O BB32-2922 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.3 CCCC(=O)CCCC(=O)O BB31-4914 [0,1,0,0,0,0|0,0,1]=2 6 B10R0.4 C#CCCCCCCC(=O)O BB31-4635 [0,1,0,0,0,0|0,0,1]=2 7 B10R0.4 [N-]=[N+]=NCCOCCC(=O)O BB32-0217 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.75 CCCCCC[C@@H](N)C(=O)O BB31-8419 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.97 CC(=O)NCSCCC(=O)O BB31-6087 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.97 O=C(O)CCNCCC(=O)O BB31-7631 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.18 CC(=O)CN1CCCCC1 BB52-8399 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.18 CC(=O)CN1CCOCC1 BB52-8400 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.18 CC(=O)NC1CCCCC1 BB31-5197 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.18 NC(=O)CN1CCOCC1 BB32-2185 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.18 O=C(O)C=C1CCCCC1 BB31-2951 [0,0,0,1,0,0|0,0,2]=3 16 B10R1.18 O=C(O)CC1CCNCC1 BB52-6002 [0,0,0,1,0,0|1,0,0]=2 17 B10R1.18 O=C(O)CC1COCCN1 BB31-6596 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.39 CC(=O)N1CCC[C@H]1CO BB32-3891 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.39 CCN1CCCC1C(=O)O BB52-8702 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.61 CC1=C(C(=O)O)CCCO1 BB32-2433 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O BB31-3040 [0,0,0,1,0,0|1,0,0]=2 22 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BB31-6117 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.64 CN1CCCC1CC(=O)O BB58-3129 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.64 O=C(O)CN1CCCC1=O BB52-8573 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.66 O=C(O)CCC1OCCO1 BB31-7731 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.66 O=C(O)CCN1CCCC1 BB52-8424 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.66 O=C(O)CNC1=NCCC1 BB52-7674 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.66 O=C(O)\C=C\C1CCCC1 BB31-9891 [0,0,0,1,0,0|0,0,2]=3 29 B10R1.348 NC(=O)C1CCCCCC1 BB32-0810 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.348 O=C(O)C1CCC=CCC1 BB31-3125 [0,0,0,1,0,0|0,0,2]=3 31 B10R1.348 O=C(O)C1CCCNCC1 BB31-7509 [0,0,0,1,0,0|1,0,0]=2 32 B7R0.4 N#CCCCC(=O)O BB31-7795 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.4 NC(=O)CCCCO BB31-4574 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.18 CCCCC(N)CCCC BB31-5984 [1,1,0,0,0,0|1,0,1]=4 35 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [1,1,0,0,0,0|0,0,0]=2 37 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [1,1,0,0,0,0|1,0,0]=3 39 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [1,1,0,0,0,0|0,0,2]=4 40 B11R0.30 CC(=O)CCCCCCC(C)=O BB31-3292 [0,2,0,0,0,0|1,0,0]=3 41 B11R0.40 COC(=O)CCCCCCCBr BB31-8083 [0,2,0,0,0,0|0,0,0]=2 42 B11R0.40 COC(=O)CCCCCCCN BB31-8657 [0,2,0,0,0,0|0,0,0]=2 43 B11R0.42 C=CCCCCC[C@H](N)C(=O)O BB31-7466 [0,2,0,0,0,0|0,0,1]=3 44 B11R0.148 C#CCCCCCCCC(=O)O BB31-3239 [0,2,0,0,0,0|0,0,0]=2 45 B11R0.148 NCCCCCCCCC(=O)O BB31-8434 [0,2,0,0,0,0|0,0,0]=2 46 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O BB32-1271 [0,2,0,0,0,0|1,0,1]=4 47 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O BB31-2631 [0,2,0,0,0,0|1,0,1]=4 48 B9R1.8 C=CCN1CCCCC1 BB31-2798 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.8 NCCC1CCCCC1 BB31-6120 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.8 O=CCC1CCOCC1 BB31-4719 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.12 OCCCN1CCCC1 BB52-8038 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.15 CCN1CCNCC1=O BB52-8136 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB31-4371 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.33 NCCN1CCCC1=O BB52-8355 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [1,0,0,1,0,0|0,0,0]=2 65 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.64 CCN1C(=O)CCC1C(=O)O BB51-0410 [0,1,0,1,0,0|1,0,1]=4 70 B11R1.90 O=C(O)CCN1CCCC1=O BB52-8418 [0,1,0,1,0,0|1,0,1]=4 71 B11R1.157 CC(=O)CN1CCCC(C)C1 BB52-8402 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.157 CC1CCCN(CC(=O)O)C1 BB52-8379 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.172 O=C(O)CNCC1CCCO1 BB53-0552 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.172 O=C(O)CSCC1CCCO1 BB53-0402 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.86 CC(=O)CN1CCCCC1C BB52-8403 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.86 CC1CCCCN1CC(=O)O BB52-8696 [0,1,0,1,0,0|0,0,0]=2 77 B11R1.86 CN1CCCCC1CC(=O)O BB52-8551 [0,1,0,1,0,0|0,0,0]=2 78 B11R1.86 CN1CCCCC1CC(=O)O BB52-8555 [0,1,0,1,0,0|0,0,0]=2 79 B11R1.91 NC(=O)CNC1CCOCC1 BB20-0454 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.91 O=C(O)CCC1CCNCC1 BB32-2599 [0,1,0,1,0,0|0,0,0]=2 81 B11R1.91 O=C(O)CCC1CCOCC1 BB31-7811 [0,1,0,1,0,0|0,0,0]=2 82 B11R1.193 C=CCN1CCCC1C(=O)O BB52-8733 [0,1,0,1,0,0|0,0,2]=4 83 B11R1.742 CC(=O)CN1CCCCCC1 BB52-8398 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.742 O=C(O)CN1CCCCCC1 BB52-5709 [0,1,0,1,0,0|0,0,0]=2 85 B11R1.77 CC(CC(=O)O)N1CCCC1 BB52-9690 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.928 CC1(CC(=O)O)CCOCC1 BB31-8497 [0,1,0,1,0,0|1,0,0]=3 87 B11R1.509 O=P(O)(O)CN1CCCCC1 BB52-7156 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.20 CC1CCN(CC(=O)O)CC1 BB52-8609 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.20 CN1CCN(CC(=O)O)CC1 BB52-9739 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.266 CCN1CCCC(C(=O)O)C1 BB52-2360 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O BB31-3453 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O BB32-2122 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.40 COC(=O)CC1CNCCO1 BB31-9035 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.40 COC(=O)CC1COCCN1 BB31-9182 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.222 CC1CCCCN1C(=O)CBr BB52-8941 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.852 COC(=O)C1CCCNCC1 BB31-2386 [0,1,0,1,0,0|1,0,0]=3 97 B11R1.852 COC(=O)N1CCCNCC1 BB52-9155 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.852 O=C(CBr)N1CCCCCC1 BB52-9361 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.35 CC(CN1CCCC1)C(=O)O BB52-9054 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.35 N[C@H](CC1CCCC1)C(=O)O BB31-7316 [0,1,0,1,0,0|0,0,0]=2 101 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 BB32-1139 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O BB52-9159 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.178 O=C(O)C1CCCC1C(=O)O BB32-2317 [0,1,0,1,0,0|1,0,1]=4 104 B11R2.36 O=C1CCN2CCCC2C1 BB32-1195 [0,0,0,2,0,0|2,0,0]=4 105 B11R2.106 O=C1CNCC2CCCN12 BB31-0036 [0,0,0,2,0,0|2,0,0]=4 106 B11R2.106 O=C1CNC[C@@H]2CCCN12 BB31-9838 [0,0,0,2,0,0|2,0,0]=4 107 B11R2.1 O=C1CC[C@@H]2CNCCN12 BB31-8306 [0,0,0,2,0,0|2,0,0]=4 108 B11R2.1 O=C1OCC2CNCCN12 BB31-0272 [0,0,0,2,0,0|2,0,0]=4 109 B11R2.703 O=C1CC2(CCNCC2)C1 BB31-2436 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.703 O=C1CC2(CCNCC2)N1 BB31-0977 [0,0,0,2,0,0|2,0,0]=4 111 B11R2.202 O=C1OC(=O)C2CCCC12 BB31-4890 [0,0,0,2,0,0|1,0,1]=4