0 B10R1.256 CCC1=C(NC(=C1C)C)C CNP0244315.0 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.256 COC1=C(O[C@@H](C1=O)C)C CNP0239878.1 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [1,0,0,0,0,0|0,1,1]=3 5 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [1,0,0,0,0,0|0,0,2]=3 10 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.37 CC1=NN(C(=O)C1C)C CNP0584590.0 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.37 C[C@@H]1NC(=O)N(C1=O)O CNP0326383.1 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.470 COC1=C(C(=O)N(C1=O)C)O CNP0126036.0 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.673 CC(=O)C1=C(OC(C1=O)C)C CNP0337023.0 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.29 CCC(=O)C(CC)C(=O)O CNP0333433.0 [0,0,1,0,0,0|2,0,1]=4 29 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.8 COC1=C(C(=O)OC(=C1)C)C CNP0157461.0 [0,0,0,0,0,1|2,0,1]=4 31 B11R1.8 COC1=CC(=O)C=C(C1=O)C CNP0357550.0 [0,0,0,0,0,1|2,0,1]=4 32 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.72 COC1=C(OC[C@@H](C1=O)O)C CNP0176204.1 [0,0,0,0,0,1|1,0,0]=2 34 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,0,0,0,0,1|2,0,1]=4 35 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [0,0,0,0,0,1|2,0,1]=4 36 B11R1.277 COC1=CC(=O)[C@@H](C[C@@H]1C)O CNP0127359.1 [0,0,0,0,0,1|2,0,1]=4 37 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [0,0,0,0,0,1|2,0,1]=4 38 B11R1.464 COC1=C(C=C(NC1=O)C)O CNP0316494.0 [0,0,0,0,0,1|2,0,1]=4 39 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [1,0,1,0,0,0|1,0,1]=4 42 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [1,0,1,0,0,0|1,0,1]=4 43 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [1,0,1,0,0,0|0,0,2]=4 44 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [1,0,1,0,0,0|2,0,0]=4 45 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [1,0,1,0,0,0|2,0,0]=4 46 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,0,1,0,0,0|1,0,1]=4 47 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [1,0,1,0,0,0|1,0,1]=4 48 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [1,0,1,0,0,0|2,0,0]=4 50 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,0,1,0,0,0|1,0,1]=4 52 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,0,1,0,0,0|2,0,0]=4 53 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [1,0,1,0,0,0|1,0,1]=4 54 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,0,1,0,0,0|2,0,0]=4 55 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [1,0,1,0,0,0|2,0,0]=4 56 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,0,1,0,0,0|2,0,0]=4 57 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.11 COC1=CCOC1=O CNP0235181.0 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [2,0,0,0,0,0|0,1,1]=4 60 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [2,0,0,0,0,0|0,0,1]=3 62 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [2,0,0,0,0,0|0,1,1]=4 63 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [2,0,0,0,0,0|1,0,1]=4 73 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [2,0,0,0,0,0|0,0,0]=2 78 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [2,0,0,0,0,0|0,1,0]=3 79 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [2,0,0,0,0,0|0,2,0]=4 80 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [2,0,0,0,0,0|1,0,0]=3 83 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [2,0,0,0,0,0|0,0,2]=4 84 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [2,0,0,0,0,0|1,0,1]=4 87 B10R0.118 COC(=O)C(=C(C)O)C(=O)C CNP0471178.0 [0,1,1,0,0,0|2,0,0]=4 88 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,1,1,0,0,0|2,0,0]=4 89 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.130 CSSC1=C(OC(=C1)C)C CNP0237474.0 [1,1,0,0,0,0|0,1,1]=4 91 B10R1.130 C[C@H]1C=C(C(=O)O1)CCO CNP0429763.1 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.191 CC1=C(C(=O)[C@@H]([C@H]1C)C)O CNP0291420.1 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.191 CC1=C(C(C(=C1C)C)C)C CNP0153262.0 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.271 CC1=C(C(=O)C(O1)(C)O)O CNP0538418.0 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.271 CC1=C(C(=O)[C@](S1)(C)O)O CNP0355672.1 [1,1,0,0,0,0|0,1,0]=3 96 B10R1.271 CC1=C([C@@](OC1=O)(C)O)C CNP0259444.1 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.271 CN1C(=O)OC(C1=O)(C)C CNP0157469.0 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.194 CC(C)C1=CCC(C1=O)C CNP0116593.0 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.258 CCC1OC=C(C1=O)CO CNP0001520.0 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.235 COC1=C[C@H](O[C@@H](C1=O)OC)C CNP0598412.1 [0,1,0,0,0,1|0,0,1]=3 101 B12R1.654 COC1=COC(=C(C1=O)OC)C CNP0194493.0 [0,1,0,0,0,1|0,0,1]=3 102 B12R1.1000 CC(=O)C1=C(N[C@@H](CC1=O)C)C CNP0321098.1 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.1000 CC(=O)C1=C(N[C@H](CC1=O)C)C CNP0321098.2 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.1000 CC(=O)C1=C(S[C@H](CC1=O)C)C CNP0303365.1 [0,1,0,0,0,1|1,1,0]=4 105 B12R1.854 CC(=O)OC1=C(OC(C1=O)C)C CNP0003152.0 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.1147 C/C=C/[C@H]1OC(=O)C(=C1C)OC CNP0291090.1 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.1147 CCC[C@H]1OC(=O)C(=C1C)OC CNP0210097.1 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [0,0,1,1,0,0|2,0,0]=4 109 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,0,1,1,0,0|0,0,2]=4 110 B10R1.245 N=CC1=C(CCCC1=O)O CNP0451959.0 [0,0,1,1,0,0|2,0,0]=4 111 B12R2.18 CC1CC2=C(C1=O)NCCC2 CNP0139545.0 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,0,0,0,0,1|1,0,1]=4 113 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [1,0,0,0,0,1|0,0,1]=3 114 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [1,0,0,0,0,1|1,0,1]=4 115 B10R1.119 CC1=C(C(=O)[C@@H](CO1)O)O CNP0283189.1 [1,0,0,0,0,1|1,0,0]=3 116 B10R1.119 CC1=C(C(=O)[C@H](CO1)O)O CNP0283189.2 [1,0,0,0,0,1|1,0,0]=3 117 B10R1.119 C[C@H]1OCC(=O)[C@@H](C1=O)O CNP0447619.1 [1,0,0,0,0,1|1,0,1]=4