0 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.8 C=CCC1=NCCCC1 CNP0003401.0 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [1,0,0,0,0,0|0,0,3]=4 24 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [1,0,0,0,0,0|1,1,1]=4 28 B11R1.20 CC(=O)NC1CCC(=O)CC1 CNP0508651.0 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.36 C[C@@H](C(=O)O)C1=CCCCC1 CNP0363942.1 [0,1,0,0,0,0|0,0,2]=3 33 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 CNP0535459.2 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 CNP0535459.1 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.36 N[C@H](C(=O)O)[C@@H]1CC=CCC1 CNP0213115.1 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.36 O=C(O)C(=O)[C@H]1CC=CCC1 CNP0297531.1 [0,1,0,0,0,0|0,0,3]=4 37 B11R1.36 O=C(O)C(O)[C@H]1CC=CCC1 CNP0339850.1 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.40 CC[C@@H](O)C[C@@H]1CCCCN1 CNP0267069.1 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.40 CC[C@H](O)C[C@H]1CCCCN1 CNP0267069.2 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.40 CNC(C)CC1CCCCC1 CNP0071281.0 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,1,0,0,0,0|0,0,2]=3 44 B11R1.40 COC(=O)CN1CCNCC1 CNP0582393.0 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.40 N[C@H](CO)CC1CCCCC1 CNP0508776.1 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,1,0,0,0,0|0,0,2]=3 50 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C CNP0332204.2 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C CNP0332204.1 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.86 NC(=O)CN1CCCCC1=O CNP0303662.0 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.86 N[C@@H]1CCCC=C1CC(=O)O CNP0250203.1 [0,1,0,0,0,0|0,0,2]=3 54 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.157 CC(=O)C[C@H]1CCCC(=N1)C CNP0260516.1 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.157 CC(=O)C[C@H]1C[C@@H](CCO1)C CNP0268393.2 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.157 CC(=O)C[C@H]1C[C@H](CCO1)C CNP0268393.1 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.157 C[C@@H]1C=C(CCC1)CC(=O)O CNP0142469.1 [0,1,0,0,0,0|0,0,2]=3 65 B11R1.157 C[C@@H]1CCC[C@@H](N1)C[C@@H](C)O CNP0140352.2 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@@H](N1)C CNP0140352.3 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@H](N1)C CNP0140352.1 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,1,0,0,0,0|0,0,1]=2 71 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0261639.0 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0526158.0 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0606141.0 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.509 O=S(=O)([O-])NC1CCCCC1 CNP0482506.0 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.509 O=S(=O)([O-])NC1CCCCC1 CNP0486912.0 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.509 O=S(=O)([O-])NC1CCCCC1 CNP0579695.0 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.928 C[N+]1(CCCCC1)CC(=O)[O-] CNP0083853.0 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.928 NC1(CCOCC1)CC(=O)O CNP0399325.0 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.928 NC1(CCSCC1)CC(=O)O CNP0257879.0 [0,1,0,0,0,0|1,0,0]=2 81 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,1,0,0,0|1,0,2]=4 82 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,0,1,0,0,0|2,0,0]=3 83 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,0,1,0,0,0|3,0,0]=4 84 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,0,1,0,0,0|0,0,2]=3 85 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,1,0,0,0|1,0,2]=4 86 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,0,1,0,0,0|0,0,2]=3 87 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,0,1,0,0,0|0,0,2]=3 88 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,1,0,0,0|1,0,2]=4 89 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,0,1,0,0,0|0,0,2]=3 90 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,0,1,0,0,0|1,0,0]=2 91 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,0,1,0,0,0|1,0,0]=2 92 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,0,1,0,0,0|1,0,0]=2 93 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,0,1,0,0,0|0,0,0]=1 94 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,0,1,0,0,0|0,0,1]=2 95 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,0,1,0,0,0|0,0,1]=2 96 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,0,1,0,0,0|0,0,1]=2 97 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,0,1,0,0,0|0,0,1]=2 98 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,0,1,0,0,0|0,0,1]=2 99 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,0,1,0,0,0|0,0,1]=2 100 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,0,1,0,0,0|2,0,1]=4 101 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,0,1,0,0,0|1,0,1]=3 102 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,0,1,0,0,0|1,0,1]=3 103 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,0,1,0,0,0|1,0,0]=2 104 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,0,1,0,0,0|1,0,1]=3 105 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,0,1,0,0,0|2,0,0]=3 106 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,0,1,0,0,0|1,0,0]=2 107 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,0,1,0,0,0|2,0,0]=3 108 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,0,1,0,0,0|1,0,0]=2 109 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,0,1,0,0,0|1,0,2]=4 110 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,0,1,0,0,0|0,0,2]=3 111 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,0,1,0,0,0|2,0,1]=4 112 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,0,1,0,0,0|1,0,0]=2 113 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,0,1,0,0,0|2,0,0]=3 114 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,0,1,0,0,0|1,0,0]=2 115 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,0,1,0,0,0|2,0,1]=4 116 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,0,1,0,0,0|2,0,0]=3 117 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [0,0,1,0,0,0|3,0,0]=4 118 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,0,1,0,0,0|2,0,0]=3 119 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,0,1,0,0,0|2,0,0]=3 120 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,0,1,0,0,0|2,0,0]=3 121 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,1,0,0|0,0,0]=1 122 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.1852 CC(=C1C2C1CCCC2)C CNP0612230.0 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,0,0,0,1,0|2,0,1]=4 125 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,0,1,0|1,0,2]=4 126 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,0,0,0,1,0|2,0,1]=4 127 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,0,0,0,1,0|1,0,0]=2 128 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,0,0,0,1,0|2,0,0]=3 129 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [0,0,0,0,1,0|3,0,0]=4 130 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,0,0,0,1,0|2,0,1]=4 131 B9R1.6 ClP(Cl)C1CCCCC1 CNP0588827.0 [0,0,0,0,1,0|3,0,0]=4 132 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,0,0,0,1,0|1,0,0]=2 133 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [0,0,0,0,1,0|2,0,0]=3 134 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,0,0,0,1,0|2,0,0]=3 135 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [0,0,0,0,1,0|3,0,0]=4 136 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [0,0,0,0,1,0|3,0,0]=4 137 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,0,0,0,1,0|1,0,0]=2 138 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,0,0,0,1,0|0,0,2]=3 139 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,0,0,0,1,0|1,0,2]=4 140 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,0,0,0,1,0|1,0,2]=4 141 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,0,0,0,1,0|1,0,1]=3 142 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,0,0,1,0|0,0,0]=1 143 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,0,0,0,1,0|1,0,0]=2 144 B9R1.6 O=C(O)C1CSSSC1 CNP0303289.0 [0,0,0,0,1,0|3,0,0]=4 145 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,0,0,0,1,0|1,0,2]=4 146 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,0,0,0,1,0|1,0,2]=4 147 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,0,0,0,1,0|1,0,1]=3 148 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,0,0,1,0|1,0,0]=2 149 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,0,0,0,1,0|1,0,0]=2 150 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,0,0,0,1,0|2,0,0]=3 151 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,0,0,0,1,0|2,0,0]=3 152 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,0,0,0,1,0|0,0,2]=3 153 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,0,0,1,0|1,0,0]=2 154 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,0,0,0,1,0|1,0,0]=2 155 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,0,0,0,1,0|2,0,0]=3 156 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,0,0,1,0|1,0,0]=2 157 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,0,0,0,1,0|2,0,0]=3 158 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,0,0,0,1,0|2,0,0]=3 159 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,0,0,0,1,0|2,0,0]=3 160 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,0,0,0,1,0|2,0,1]=4 161 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,0,0,0,1,0|0,0,0]=1 162 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,0,0,0,1,0|1,0,0]=2 163 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,0,0,0,1,0|0,0,2]=3 164 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,0,0,0,1,0|1,0,0]=2 165 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,0,0,0,1,0|0,0,2]=3 166 B11R1.91 NC(=O)CC[C@@H]1COCCO1 CNP0061677.2 [0,0,0,0,0,1|3,0,0]=4 167 B11R1.91 NC(=O)CC[C@H]1COCCO1 CNP0061677.1 [0,0,0,0,0,1|3,0,0]=4 168 B11R1.91 O=C(O)C=CC1=CCCCC1 CNP0158200.0 [0,0,0,0,0,1|0,0,3]=4 169 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,0,0,0,0,1|0,0,0]=1 170 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [0,0,0,0,0,1|2,0,0]=3 171 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [0,0,0,0,0,1|2,0,0]=3 172 B11R1.742 CC(O)CN1CCCCCC1 CNP0514501.0 [0,0,0,0,0,1|2,0,1]=4 173 B8R0.4 C=CCCCCCC=O CNP0184185.0 [1,0,1,0,0,0|0,0,2]=4 174 B8R0.4 C=CCCCCCCC CNP0317850.0 [1,0,1,0,0,0|1,0,0]=3 175 B8R0.4 C=CCCCCCCO CNP0610530.0 [1,0,1,0,0,0|2,0,0]=4 176 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,0,1,0,0,0|0,0,2]=4 177 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,1,0,0,0|1,0,1]=4 178 B8R0.4 CCC=CCCCC=O CNP0002614.0 [1,0,1,0,0,0|0,0,2]=4 179 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,1,0,0,0|0,0,2]=4 180 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,0,1,0,0,0|0,0,2]=4 181 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,1,0,0,0|0,0,1]=3 182 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,1,0,0,0|1,0,1]=4 183 B8R0.4 CCCCCCCC#N CNP0112630.0 [1,0,1,0,0,0|1,0,1]=4 184 B8R0.4 CCCCCCCC=O CNP0146292.0 [1,0,1,0,0,0|0,0,0]=2 185 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,1,0,0,0|1,0,1]=4 186 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,1,0,0,0|1,0,1]=4 187 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,1,0,0,0|0,0,1]=3 188 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,1,0,0,0|2,0,0]=4 189 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,1,0,0,0|1,0,0]=3 190 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [1,0,1,0,0,0|0,0,0]=2 191 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,0,1,0,0,0|1,0,0]=3 192 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,1,0,0,0|1,0,1]=4 193 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,1,0,0,0|1,0,0]=3 194 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,1,0,0,0|0,0,2]=4 195 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,1,0,0,0|0,0,2]=4 196 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,1,0,0,0|0,0,2]=4 197 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,1,0,0,0|1,0,1]=4 198 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,1,0,0,0|1,0,0]=3 199 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,1,0,0,0|1,0,0]=3 200 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,1,0,0,0|1,0,0]=3 201 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,1,0,0,0|0,0,0]=2 202 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,1,0,0,0|1,0,1]=4 203 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,1,0,0,0|1,0,1]=4 204 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,1,0,0,0|1,0,0]=3 205 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,1,0,0,0|1,0,1]=4 206 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,1,0,0,0|2,0,0]=4 207 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,1,0,0,0|1,0,0]=3 208 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,1,0,0,0|2,0,0]=4 209 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,1,0,0,0|1,0,0]=3 210 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,1,0,0,0|1,0,0]=3 211 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,1,0,0,0|1,0,1]=4 212 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,0,1,0,0,0|2,0,0]=4 213 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,1,0,0,0|1,0,1]=4 214 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [1,0,1,0,0,0|2,0,0]=4 215 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,0,1,0,0,0|2,0,0]=4 216 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,0,1,0,0,0|0,0,2]=4 217 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,0,1,0,0,0|1,0,1]=4 218 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,0,1,0,0,0|1,0,0]=3 219 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,0,1,0,0,0|1,0,1]=4 220 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,0,1,0,0,0|1,0,0]=3 221 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,0,1,0,0,0|0,0,0]=2 222 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,0,1,0,0,0|2,0,0]=4 223 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,0,1,0,0,0|1,0,0]=3 224 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,0,1,0,0,0|2,0,0]=4 225 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [1,0,1,0,0,0|0,0,0]=2 226 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [1,0,1,0,0,0|1,0,0]=3 227 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [1,0,1,0,0,0|1,0,0]=3 228 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [1,0,1,0,0,0|1,0,1]=4 229 B8R1.2 CCC1CCCCC1 CNP0300322.0 [2,0,0,0,0,0|0,0,1]=3 230 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [2,0,0,0,0,0|1,0,1]=4 231 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [2,0,0,0,0,0|1,0,1]=4 232 B8R1.2 CNC1CCCCC1 CNP0474937.0 [2,0,0,0,0,0|1,0,1]=4 233 B8R1.2 NCC1CCCCC1 CNP0581484.0 [2,0,0,0,0,0|1,0,0]=3 234 B8R1.2 NCC1CCOCC1 CNP0398955.0 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [2,0,0,0,0,0|0,0,2]=4 236 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [2,0,0,0,0,0|0,0,2]=4 237 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [2,0,0,0,0,0|0,0,0]=2 238 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [2,0,0,0,0,0|0,0,2]=4 242 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [2,0,0,0,0,0|0,0,2]=4 243 B8R1.2 OCC1CCCCN1 CNP0335046.0 [2,0,0,0,0,0|1,0,0]=3 244 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [2,0,0,0,0,0|0,0,2]=4 245 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [2,0,0,0,0,0|0,0,2]=4 247 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [2,0,0,0,0,0|1,0,0]=3 248 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [2,0,0,0,0,0|1,0,0]=3 249 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [2,0,0,0,0,0|1,0,1]=4 251 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,1,0,0,0|0,0,1]=3 252 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,1,1,0,0,0|2,0,0]=4 253 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,1,1,0,0,0|0,0,0]=2 254 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,1,1,0,0,0|0,0,1]=3 255 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,1,1,0,0,0|1,0,1]=4 256 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,1,1,0,0,0|0,0,1]=3 257 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,1,1,0,0,0|1,0,0]=3 258 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,1,1,0,0,0|1,0,1]=4 259 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,1,1,0,0,0|0,0,1]=3 260 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,1,1,0,0,0|1,0,1]=4 261 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,1,1,0,0,0|0,0,1]=3 262 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,1,1,0,0,0|1,0,1]=4 263 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,1,1,0,0,0|0,0,1]=3 264 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,1,1,0,0,0|1,0,1]=4 265 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,1,1,0,0,0|1,0,1]=4 266 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,1,1,0,0,0|1,0,1]=4 267 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,1,1,0,0,0|0,0,1]=3 268 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,1,1,0,0,0|1,0,0]=3 269 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,1,1,0,0,0|1,0,0]=3 270 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,1,1,0,0,0|1,0,0]=3 271 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,1,1,0,0,0|0,0,0]=2 272 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,1,1,0,0,0|1,0,1]=4 273 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,1,1,0,0,0|1,0,1]=4 274 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,1,1,0,0,0|1,0,0]=3 275 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,1,1,0,0,0|2,0,0]=4 276 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,1,1,0,0,0|0,0,0]=2 277 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,1,1,0,0,0|1,0,0]=3 278 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,1,1,0,0,0|1,0,0]=3 279 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,1,1,0,0,0|0,0,0]=2 280 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,1,1,0,0,0|0,0,0]=2 281 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,1,0,0,0|0,0,1]=3 282 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,1,1,0,0,0|0,0,0]=2 283 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,1,1,0,0,0|0,0,0]=2 284 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,1,1,0,0,0|2,0,0]=4 285 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,1,1,0,0,0|0,0,0]=2 286 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,1,1,0,0,0|1,0,0]=3 287 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,1,1,0,0,0|2,0,0]=4 288 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,1,1,0,0,0|2,0,0]=4 289 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,1,1,0,0,0|0,0,2]=4 290 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,1,1,0,0,0|1,0,1]=4 291 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,1,0,0,0|0,0,0]=2 292 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,1,1,0,0,0|1,0,1]=4 293 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,1,0,0,0|1,0,0]=3 294 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,1,1,0,0,0|1,0,1]=4 295 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,1,0,0,0|0,0,2]=4 296 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,1,0,0,0|0,0,2]=4 297 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,1,1,0,0,0|0,0,2]=4 298 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,1,0,0,0|0,0,2]=4 299 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,1,1,0,0,0|1,0,0]=3 300 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,1,0,0,0|1,0,0]=3 301 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,1,0,0,0|0,0,0]=2 302 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,1,0,0,0|0,0,0]=2 303 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,1,0,0,0|0,1,0]=3 304 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,1,0,0,0|1,0,1]=4 305 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,1,1,0,0,0|1,0,1]=4 306 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,1,1,0,0,0|1,0,1]=4 307 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,1,0,0,0|2,0,0]=4 308 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,1,0,0,0|0,0,1]=3 309 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,1,0,0,0|0,0,0]=2 310 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,1,0,0,0|0,0,0]=2 311 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,1,0,0,0|0,0,0]=2 312 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,1,0,0,0|0,0,0]=2 313 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,1,0,0,0|0,0,0]=2 314 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,1,0,0,0|1,0,0]=3 315 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,1,1,0,0,0|2,0,0]=4 316 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,1,0,0,0|1,0,0]=3 317 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,1,1,0,0,0|1,0,1]=4 318 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,1,0,0,0|1,0,0]=3 319 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,1,0,0,0|1,0,0]=3 320 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,1,1,0,0,0|2,0,0]=4 321 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,1,1,0,0,0|2,0,0]=4 322 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,1,1,0,0,0|1,0,1]=4 323 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,1,1,0,0,0|0,0,0]=2 324 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,1,1,0,0,0|1,0,0]=3 325 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,1,1,0,0,0|1,0,1]=4 326 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,1,1,0,0,0|0,0,0]=2 327 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,1,1,0,0,0|1,0,1]=4 328 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,1,1,0,0,0|0,0,2]=4 329 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,1,1,0,0,0|0,0,0]=2 330 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,1,1,0,0,0|1,0,1]=4 331 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,1,1,0,0,0|1,0,1]=4 332 B10R0.32 NCC[C@@H](O)[C@H](N)CC(=O)O CNP0140197.2 [0,1,1,0,0,0|2,0,0]=4 333 B10R0.32 NCC[C@H](O)[C@H](N)CC(=O)O CNP0140197.1 [0,1,1,0,0,0|2,0,0]=4 334 B10R0.44 NC[C@H](O)C[C@@H](N)CC(=O)O CNP0148368.1 [0,1,1,0,0,0|2,0,0]=4 335 B10R0.81 CCOCC(O)C(N)C(=O)O CNP0242428.0 [0,1,1,0,0,0|2,0,0]=4 336 B10R0.81 CCOC[C@@H](O)[C@@H](N)C(=O)O CNP0242428.1 [0,1,1,0,0,0|2,0,0]=4 337 B10R0.87 CC#CCC(CC(=O)O)OC CNP0344902.0 [0,1,1,0,0,0|0,0,2]=4 338 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O CNP0259340.1 [0,1,1,0,0,0|1,0,1]=4 339 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O CNP0259340.2 [0,1,1,0,0,0|1,0,1]=4 340 B10R0.96 C[S+](C)CC[C@H](O)CC(=O)O CNP0018375.1 [0,1,1,0,0,0|2,0,0]=4 341 B10R0.23 CCC[C@@H](CC(=O)O)C(=O)O CNP0297419.1 [0,1,1,0,0,0|1,0,1]=4 342 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O CNP0034778.2 [0,1,1,0,0,0|1,0,0]=3 343 B10R0.70 CC(C)C[C@H](CN)CC(=O)O CNP0034778.1 [0,1,1,0,0,0|1,0,0]=3 344 B10R0.79 CCOC(CC(=O)C)OCC CNP0288150.0 [0,1,1,0,0,0|2,0,0]=4 345 B10R0.79 O=C(O)CN(CCO)CCO CNP0107745.0 [0,1,1,0,0,0|2,0,0]=4 346 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.1 CC1CCC(CC1)N=C=O CNP0522319.0 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.4 COCC1CCCC[C@@H]1N CNP0344437.1 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.15 CC(=NO)C1CCCCC1 CNP0071065.0 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.13 C=C1CCC(CC1)C(=C)O CNP0196547.0 [0,1,0,0,1,0|1,0,1]=4 361 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,1,0,0,1,0|1,0,1]=4 362 B10R1.13 CN1CCN(CC1)C(=O)O CNP0510233.0 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [0,1,0,0,1,0|1,0,1]=4 364 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,1,0,0,1,0|0,0,0]=2 365 B10R1.13 NC1CCN(CC1)C(=O)O CNP0024130.0 [0,1,0,0,1,0|1,0,0]=3 366 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O CNP0286409.3 [0,1,0,0,1,0|1,0,0]=3 367 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O CNP0286409.4 [0,1,0,0,1,0|1,0,0]=3 368 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,1,0,0,1,0|0,0,0]=2 369 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O CNP0286409.2 [0,1,0,0,1,0|1,0,0]=3 370 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O CNP0286409.1 [0,1,0,0,1,0|1,0,0]=3 371 B10R1.28 O=P(O)(O)[C@@H]1CCCCN1 CNP0454666.1 [0,1,0,0,1,0|2,0,0]=4 372 B10R1.28 O=P(O)(O)[C@H]1CCCCN1 CNP0454666.2 [0,1,0,0,1,0|2,0,0]=4 373 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,1,0,0,1,0|2,0,0]=4 374 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,1,0,0,1,0|1,0,0]=3 375 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,1,0,0,1,0|1,0,0]=3 376 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,1,0,0,1,0|1,0,0]=3 377 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,1,0,0,1,0|1,0,0]=3 379 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,1,0,0,1,0|2,0,0]=4 380 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,1,0,0,1,0|1,0,0]=3 381 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,1,0,0,1,0|1,0,0]=3 382 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,1,0,0,1,0|1,0,0]=3 383 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,1,0,0,1,0|1,0,0]=3 384 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,1,0,0,1,0|1,0,0]=3 385 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,1,0,0,1,0|1,0,0]=3 386 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,1,0,0,1,0|1,0,0]=3 387 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,1,0,0,1,0|0,0,2]=4 389 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,1,0,0,1,0|1,0,0]=3 390 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [0,1,0,0,1,0|2,0,0]=4 391 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,1,0,0,1,0|1,0,0]=3 392 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [0,1,0,0,1,0|2,0,0]=4 393 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,1,0,0,1,0|1,0,0]=3 394 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [0,1,0,0,1,0|2,0,0]=4 395 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,1,0,0,1,0|1,0,0]=3 396 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [0,1,0,0,1,0|2,0,0]=4 398 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,1,0,0,1,0|0,0,1]=3 399 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,1,0,0,1,0|1,0,1]=4 400 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,1,0,0,1,0|1,0,1]=4 401 B10R1.363 CC1(CCCCC1)C(=O)O CNP0464995.0 [0,1,0,0,1,0|0,0,0]=2 402 B10R1.363 NC1(CCCCC1)C(=O)O CNP0298480.0 [0,1,0,0,1,0|0,0,0]=2 403 B10R1.363 NC1(CCSCC1)C(=O)O CNP0563448.0 [0,1,0,0,1,0|1,0,0]=3 404 B10R1.363 N[C@@]1(CCCSC1)C(=O)O CNP0604228.2 [0,1,0,0,1,0|1,0,0]=3 405 B10R1.363 N[C@]1(CCCSC1)C(=O)O CNP0604228.1 [0,1,0,0,1,0|1,0,0]=3 406 B10R1.23 CC(=O)C(C)N1CCCC1 CNP0002599.0 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.23 C[C@@H](C(=O)O)C1=CCCC1 CNP0313438.1 [0,1,0,0,1,0|0,0,2]=4 408 B10R1.23 NC(C(=O)O)C1CC=CC1 CNP0222178.0 [0,1,0,0,1,0|0,0,2]=4 409 B10R1.23 N[C@@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.1 [0,1,0,0,1,0|0,0,2]=4 410 B10R1.23 N[C@H](C(=O)O)C1CC=CC1 CNP0222178.1 [0,1,0,0,1,0|0,0,2]=4 411 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CNP0276361.1 [0,1,0,0,1,0|0,0,0]=2 412 B10R1.23 N[C@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.2 [0,1,0,0,1,0|0,0,2]=4 413 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.54 C=C(C)CC1CCC(C1)C CNP0211538.0 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,1,0,0,1,0|0,0,0]=2 417 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,1,0,0,1,0|1,0,1]=4 418 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,1,0,0,1,0|1,0,1]=4 419 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,1,0,0,1,0|1,0,0]=3 422 B10R1.64 O=C(O)CN1CCCC1=O CNP0509935.0 [0,1,0,0,1,0|1,0,1]=4 423 B12R1.43 C=C(CC1CCCCC1)[N+](=O)[O-] CNP0515978.0 [0,1,0,0,0,1|1,0,1]=4 424 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O CNP0308813.2 [0,1,0,0,0,1|0,0,0]=2 425 B12R1.43 N[C@@H](CN1CCOCC1)C(=O)O CNP0565480.1 [0,1,0,0,0,1|2,0,0]=4 426 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O CNP0308813.1 [0,1,0,0,0,1|0,0,0]=2 427 B12R1.43 N[C@H](CN1CCOCC1)C(=O)O CNP0565480.2 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.125 NC(=O)CC[C@@H]1CCCCC1=O CNP0046552.1 [0,1,0,0,0,1|1,0,1]=4 429 B12R1.125 NC(=O)CC[C@H]1CCCCC1=O CNP0046552.2 [0,1,0,0,0,1|1,0,1]=4 430 B12R1.125 O=C(O)CC[C@@H]1CCCCC1=O CNP0451054.1 [0,1,0,0,0,1|0,0,1]=3 431 B12R1.125 O=C(O)CC[C@H]1CCCCC1=O CNP0451054.2 [0,1,0,0,0,1|0,0,1]=3 432 B12R1.210 NC(=O)CN1CCCCCC1=O CNP0389880.0 [0,1,0,0,0,1|2,0,0]=4 433 B12R1.874 CC(=O)C[C@@H]1CCCCC(=O)C1 CNP0190031.1 [0,1,0,0,0,1|1,0,0]=3 434 B12R1.4 CO[C@H]1CC[C@@H](CC1)CC(=O)O CNP0456292.1 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.19 CC(=O)C[C@@H]1C[C@@H]([C@@H](CO1)O)O CNP0432753.2 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.19 CC(=O)C[C@@H]1C[C@H]([C@H](CO1)O)O CNP0432753.1 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.19 N[C@@H]1CO[C@@H](C[C@@H]1O)CC(=O)O CNP0236705.1 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.20 CC1=CC[C@@H](CC1)[C@@H](C)C(=O)O CNP0083012.1 [0,2,0,0,0,0|0,0,2]=4 439 B12R1.349 O=C(O)CC1(CCC(=O)CC1)O CNP0123752.0 [0,2,0,0,0,0|0,0,1]=3 440 B12R1.349 O=C(O)C[C@@]1(CC[C@@H](CC1)O)O CNP0285352.1 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.1819 CC1(CO[C@H](CN1)CC(=O)O)C CNP0206186.1 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.253 CC(C)(C(=O)O)N1CCCCC1 CNP0496702.0 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.253 CC(C)(C(=O)O)N1CCNCC1 CNP0505569.0 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.253 CC(C)(C(=O)O)N1CCOCC1 CNP0515597.0 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.478 CC=C(C(=O)O)C1CCCCC1 CNP0540343.0 [0,2,0,0,0,0|0,0,1]=3 446 B12R1.32 CCCC(=O)C[C@H]1CCCCN1 CNP0276525.1 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.32 CCCC(=O)OC1CCCCC1 CNP0321594.0 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.32 CCOC(=O)CC1CCCCC1 CNP0076528.0 [0,2,0,0,0,0|0,0,0]=2 449 B12R1.32 CCOC(=O)CN1CCNCC1 CNP0516329.0 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.371 CCC(=O)C[C@H]1CCCCN1C CNP0321034.1 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,2,0,0,0,0|0,0,0]=2 452 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,2,0,0,0,0|0,0,0]=2 453 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,2,0,0,0,0|0,0,0]=2 454 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,2,0,0,0,0|0,0,0]=2 455 B12R1.123 CC(=O)N[C@@]1(CCCC[C@@H]1O)C CNP0052171.1 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.127 CC(=O)C[C@@H]1O[C@H](CC[C@H]1O)C CNP0233444.2 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.127 CC(=O)C[C@H]1O[C@@H](CC[C@@H]1O)C CNP0233444.1 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.101 CC(=O)C[C@H]1C[C@@H](C[C@@H](O1)C)O CNP0412449.1 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.3862 C#CC1(CCCCC1)OC(=O)N CNP0565294.0 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.3862 NCC1(CCCCC1)CC(=O)O CNP0330356.0 [0,2,0,0,0,0|0,0,0]=2 461 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,0,1,1,0,0|0,0,2]=4 462 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,1,1,0,0|2,0,0]=4 463 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,1,1,0,0|0,0,0]=2 464 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,1,1,0,0|0,0,0]=2 465 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,0,1,1,0,0|2,0,0]=4 466 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,0,1,1,0,0|1,0,0]=3 467 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,1,1,0,0|1,0,0]=3 468 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,1,1,0,0|2,0,0]=4 469 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,1,1,0,0|2,0,0]=4 470 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,1,1,0,0|0,0,0]=2 471 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,1,1,0,0|1,0,0]=3 472 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,1,1,0,0|1,0,0]=3 473 B10R1.115 N[C@@H]1CC[C@@]1(O)CC(=O)O CNP0198184.1 [0,0,1,1,0,0|2,0,0]=4 474 B10R1.115 N[C@H]1CC[C@]1(O)CC(=O)O CNP0198184.2 [0,0,1,1,0,0|2,0,0]=4 475 B10R1.192 CN1CC[C@@H]([C@H]1C(=O)O)O CNP0111968.2 [0,0,1,1,0,0|2,0,0]=4 476 B10R1.192 CN1CC[C@H]([C@H]1C(=O)O)O CNP0111968.1 [0,0,1,1,0,0|2,0,0]=4 477 B10R2.7 C1=CC2CCCCC2C1 CNP0590216.0 [1,0,0,1,0,0|1,0,0]=3 478 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 CNP0486232.1 [1,0,0,1,0,0|2,0,0]=4 479 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 CNP0076465.1 [1,0,0,1,0,0|1,0,1]=4 480 B10R2.7 C1CC[C@H]2CNC[C@@H]2C1 CNP0486232.3 [1,0,0,1,0,0|2,0,0]=4 481 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 CNP0486232.2 [1,0,0,1,0,0|2,0,0]=4 482 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [1,0,0,1,0,0|1,0,1]=4 483 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [1,0,0,1,0,0|0,0,2]=4 484 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [1,0,0,1,0,0|2,0,0]=4 485 B10R2.409 C1CC2CCC1CNC2 CNP0190314.0 [1,0,0,1,0,0|2,0,0]=4 486 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [0,0,0,1,1,0|1,0,0]=3 487 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [0,0,0,1,1,0|1,0,0]=3 488 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,1,1,0|1,0,1]=4 489 B10R2.28 CC1(CC2CCC1C2)O CNP0489995.0 [0,0,0,1,1,0|1,0,1]=4 490 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,1,0,1|1,0,1]=4 491 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,1,0,1|0,0,0]=2 492 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,1,0,1|2,0,0]=4 493 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,1,0,1|2,0,0]=4 494 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,1,0,1|0,0,0]=2 495 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,1,0,1|0,0,0]=2 496 B12R2.2918 O=C1CCC2(C1)CCCCC2 CNP0541943.0 [0,0,0,1,0,1|1,0,0]=3 497 B12R2.1020 O=C1CC2CCOCC(C1)N2 CNP0157111.0 [0,0,0,1,0,1|2,0,0]=4 498 B12R2.606 O=C1C=C2CC[C@@H](C[C@@H]2O1)O CNP0293296.2 [0,1,0,1,0,0|0,0,2]=4 499 B12R2.606 O=C1C=C2CC[C@H](C[C@@H]2O1)O CNP0293296.1 [0,1,0,1,0,0|0,0,2]=4 500 B12R2.606 O=C1C=C2CC[C@H](C[C@H]2O1)O CNP0293296.3 [0,1,0,1,0,0|0,0,2]=4 501 B12R2.606 O=C1C[C@@H]2C=C[C@@H](C[C@H]2O1)O CNP0114258.2 [0,1,0,1,0,0|0,0,2]=4 502 B12R2.606 O=C1C[C@@H]2C=C[C@H](C[C@H]2O1)O CNP0114258.1 [0,1,0,1,0,0|0,0,2]=4 503 B12R2.2799 C=C1C(=O)OC12CCCCC2 CNP0507820.0 [0,1,0,1,0,0|0,0,1]=3 504 B12R2.19 O=C1C[C@]2(CC=CC[C@H]2O1)O CNP0211973.1 [0,1,0,1,0,0|0,0,2]=4 505 B12R2.1154 CN1C2CCC[C@@H]1CC(=O)C2 CNP0115646.3 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.1154 CN1[C@@H]2CCC[C@@H]1CC(=O)C2 CNP0115646.2 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.1154 CN1[C@@H]2CCC[C@H]1CC(=O)C2 CNP0115646.1 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.1661 CC(=O)OC1CC2CCC1C2 CNP0499626.0 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.1153 C[C@@]12CCC[C@@H](N1)CC(=O)C2 CNP0248477.1 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.1153 C[C@@]12CCC[C@H](N1)CC(=O)C2 CNP0248477.4 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.1153 C[C@]12CCC[C@@H](N1)CC(=O)C2 CNP0248477.3 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.1153 C[C@]12CCC[C@H](N1)CC(=O)C2 CNP0248477.2 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.2899 C[C@@H]1C[C@H]2CC(=O)C[C@H](C2)O1 CNP0354996.1 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.2899 C[C@H]1C[C@H]2C[C@@H](O1)CC(=O)O2 CNP0172956.1 [0,1,0,1,0,0|1,0,0]=3 515 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,0,1,0,1,0|0,0,2]=4 516 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,0,1,0,1,0|1,0,1]=4 517 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,0,1,0,1,0|1,0,1]=4 518 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,0,1,0,1,0|0,0,0]=2 519 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,0,1,0,1,0|1,0,0]=3 520 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,0,1,0,1,0|2,0,0]=4 521 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,0,1,0,1,0|1,0,0]=3 522 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,0,1,0,1,0|1,0,0]=3 523 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,0,1,0,1,0|1,0,0]=3 524 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,0,1,0,1,0|2,0,0]=4 525 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,0,1,0,1,0|2,0,0]=4 526 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,0,1,0,1,0|2,0,0]=4 527 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,0,1,0,1,0|2,0,0]=4 528 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,0,1,0,1,0|1,0,0]=3 529 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,0,1,0,1,0|2,0,0]=4 530 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,0,1,0,1,0|2,0,0]=4 531 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,0,1,0,1,0|2,0,0]=4 532 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,0,1,0,1,0|2,0,0]=4 533 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,0,1,0,1,0|2,0,0]=4 534 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,0,1,0,1,0|2,0,0]=4 535 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,0,1,0,1,0|2,0,0]=4 536 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,0,1,0,1,0|0,0,2]=4 537 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,0,1,0,1,0|1,0,0]=3 538 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,0,1,0,1,0|2,0,0]=4 539 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,0,1,0|1,0,1]=4 540 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [1,0,0,0,1,0|0,0,2]=4 541 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,0,2,0|2,0,0]=4 542 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,0,0,0,2,0|1,0,1]=4 543 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,0,0,2,0|2,0,0]=4 544 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,0,0,2,0|2,0,0]=4 545 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,0,2,0|1,0,1]=4 546 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,0,0,2,0|0,0,0]=2 547 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,0,0,2,0|1,0,0]=3 548 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,0,0,0,2,0|2,0,0]=4 549 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,0,0,0,2,0|2,0,0]=4 550 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,0,2,0|0,0,2]=4 551 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,0,0,2,0|1,0,1]=4 552 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,0,0,2,0|1,0,0]=3 553 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,0,0,2,0|1,0,0]=3 554 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,0,0,0,2,0|2,0,0]=4 555 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,0,0,0,2,0|2,0,0]=4 556 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,0,0,2,0|1,0,0]=3 557 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,0,2,0|1,0,0]=3 558 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,0,0,2,0|1,0,0]=3 559 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,0,0,0,2,0|2,0,0]=4 560 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,0,0,0,2,0|2,0,0]=4 561 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [0,0,0,0,0,2|1,0,0]=3 562 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [0,0,0,0,0,2|1,0,0]=3