0 B10R0.3 C=C(C)CCCC(=O)OCC BB32-1627 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.3 CCCC(=O)CCCC(=O)O BB31-4914 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [1,0,0,0,0,0|0,0,3]=4 4 B11R1.64 CCN1C(=O)CCC1C(=O)O BB51-0410 [0,0,0,1,0,0|1,0,0]=2 5 B11R1.90 O=C(O)CCN1CCCC1=O BB52-8418 [0,0,0,1,0,0|1,0,0]=2 6 B11R1.157 CC1CCCN(CC(=O)O)C1 BB52-8379 [0,0,0,1,0,0|2,0,1]=4 7 B11R1.157 O=C(O)CN1CCNC(=O)C1 BB52-8108 [0,0,0,1,0,0|2,0,0]=3 8 B11R1.172 O=C(O)CNCC1CCCO1 BB53-0552 [0,0,0,1,0,0|1,0,2]=4 9 B11R1.172 O=C(O)CSCC1CCCO1 BB53-0402 [0,0,0,1,0,0|1,0,2]=4 10 B11R1.201 CCOC(=O)CC1CC(O)C1 BB31-2524 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.645 O=C(O)CC1CC(=O)OC1=O BB54-2727 [0,0,0,1,0,0|2,0,1]=4 12 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [2,0,0,0,0,0|2,0,0]=4 14 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [2,0,0,0,0,0|2,0,0]=4 15 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O BB31-4956 [1,1,0,0,0,0|2,0,0]=4 16 B10R0.57 COC(=O)[C@H](N)CCC(N)=O BB32-3917 [1,1,0,0,0,0|2,0,0]=4 17 B10R0.82 CCC(=O)CCC(C)[N+](=O)[O-] BB31-6784 [1,1,0,0,0,0|1,0,1]=4 18 B10R0.4 C#CCCCCCCC(=O)O BB31-4635 [1,1,0,0,0,0|0,0,2]=4 19 B10R0.75 CCCCCC[C@@H](N)C(=O)O BB31-8419 [1,1,0,0,0,0|0,0,1]=3 20 B10R0.108 CCCC(=O)OCC(O)CO BB31-5538 [1,1,0,0,0,0|1,0,1]=4 21 B10R0.96 CC(=O)CC(=O)CCC(=O)O BB31-5881 [0,1,0,0,1,0|0,0,1]=3 22 B12R0.140 CC(C)(C)OC(=O)COCC(=O)O BB31-8391 [0,2,0,0,0,0|2,0,0]=4 23 B10R1.13 CC1=CCC(C(=O)O)CC1 BB32-2492 [1,0,0,1,0,0|1,0,1]=4 24 B10R1.13 O=C(O)C1CCC(F)CC1 BB31-7519 [1,0,0,1,0,0|1,0,1]=4 25 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 BB31-8179 [1,0,0,1,0,0|1,0,0]=3 27 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.54 O=C(O)CC1CCC(=O)C1 BB31-7997 [1,0,0,1,0,0|0,0,0]=2 29 B10R1.54 O=C(O)CC1CCC(=O)O1 BB54-4135 [1,0,0,1,0,0|1,0,0]=3 30 B10R1.194 CN1C(=O)CCC1C(=O)O BB51-0407 [1,0,0,1,0,0|1,0,0]=3 31 B10R1.18 O=C(O)CC1CCNCC1 BB52-6002 [1,0,0,1,0,0|1,0,1]=4 32 B10R1.18 O=C(O)CC1COCCN1 BB31-6596 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.39 CCN1CCCC1C(=O)O BB52-8702 [1,0,0,1,0,0|1,0,1]=4 34 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O BB31-3040 [1,0,0,1,0,0|1,0,1]=4 35 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BB31-6117 [1,0,0,1,0,0|1,0,1]=4 36 B10R1.64 CN1CCCC1CC(=O)O BB58-3129 [1,0,0,1,0,0|1,0,1]=4 37 B10R1.66 O=C(O)CCC1OCCO1 BB31-7731 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.66 O=C(O)CCN1CCCC1 BB52-8424 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.348 NC(=O)C1CCCCCC1 BB32-0810 [1,0,0,1,0,0|1,0,1]=4 40 B10R1.348 O=C(O)C1CCC=CCC1 BB31-3125 [1,0,0,1,0,0|0,0,1]=3 41 B10R1.348 O=C(O)C1CCCNCC1 BB31-7509 [1,0,0,1,0,0|1,0,0]=3 42 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,0,0,1,1,0|1,0,1]=4 43 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,0,1,1,0|0,0,2]=4 44 B10R1.211 O=C(O)CNC(=O)C1CC1 BB32-3441 [0,0,0,1,1,0|1,0,0]=3 45 B12R1.17 CCOC(=O)C1CC(=O)CCO1 BB31-4495 [0,0,0,1,0,1|2,0,0]=4 46 B12R1.130 O=C(O)CCCN1CCCC1=O BB52-8544 [0,0,0,1,0,1|0,0,0]=2 47 B12R1.226 CC1CCCN(CCC(=O)O)C1 BB52-8616 [0,0,0,1,0,1|1,0,1]=4 48 B12R1.226 O=C(O)CCN1CCNC(=O)C1 BB52-8061 [0,0,0,1,0,1|1,0,0]=3 49 B12R1.255 O=C(O)CCNCC1CCCO1 BB52-9538 [0,0,0,1,0,1|0,0,2]=4 50 B12R1.255 O=C(O)CCSCC1CCCO1 BB53-0449 [0,0,0,1,0,1|0,0,2]=4 51 B12R1.255 O=C(O)CNCCN1CCCC1 BB52-9612 [0,0,0,1,0,1|2,0,0]=4 52 B12R1.255 O=C(O)CSCCN1CCCC1 BB53-0583 [0,0,0,1,0,1|2,0,0]=4 53 B12R1.1280 CC1(C)CC(=O)CCC1C(=O)O BB32-1562 [0,1,0,1,0,0|0,0,0]=2 54 B12R1.252 O=C(O)CCNC1=NCCCC1 BB52-7685 [0,1,0,1,0,0|2,0,0]=4 55 B12R1.16 CCCC(=O)N1CCC(=O)CC1 BB52-8501 [0,1,0,1,0,0|2,0,0]=4 56 B12R1.895 O=C(O)CCN1C(=O)CCC1=O BB52-8021 [0,1,0,1,0,0|1,0,1]=4 57 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,0,0,0,2,0|1,0,1]=4 58 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,0,0,0,2,0|1,0,1]=4