0 B9R0.44 CC(CC=O)CC(C)(C)C CNP0185599.0 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.44 CC(CCO)CC(C)(C)C CNP0077264.0 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.44 CCCC(C)CC(C)(C)C CNP0003380.0 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.44 CCCC(C)O[Si](C)(C)C CNP0498695.0 [0,0,0,0,0,0|2,1,0]=3 4 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.5 CC(C)C[C@@H](O)/C=N\O CNP0215536.1 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.21 CC(C)(C)OCCCN CNP0186216.0 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.21 CSCCC[N+](C)(C)C CNP0070476.0 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.21 C[N+](C)(C)CCCC=O CNP0530420.0 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.24 CC(=NO)CC(C)(C)N CNP0278445.0 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.24 CC(=NO)CC(C)(C)O CNP0122386.0 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.24 COC(C)C[N+](C)(C)C CNP0501897.0 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.31 C[N+](C)(C)C[C@@H](N)CC(=O)O CNP0558664.2 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O CNP0508718.1 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)O CNP0558664.1 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CNP0508718.2 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O CNP0508718.4 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.31 [14CH3][N+]([14CH3])([14CH3])C[C@@H](O)CC(=O)O CNP0508718.3 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.329 CC1=C[C@@H](CC(C1)(C)C)O CNP0077291.2 [0,0,0,1,0,0|0,0,2]=3 27 B10R1.329 CC1=C[C@H](CC(C1)(C)C)O CNP0077291.1 [0,0,0,1,0,0|0,0,2]=3 28 B10R1.329 CC1CC(CC(C1)(C)C)O CNP0003654.0 [0,0,0,1,0,0|0,0,0]=1 29 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,0,0,1,0,0|0,0,2]=3 30 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,0,0,0,1,0|2,0,1]=4 31 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [2,0,0,0,0,0|0,0,2]=4 32 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [2,0,0,0,0,0|0,0,0]=2 38 B7R0.4 C=CCCCC(C)C CNP0359236.0 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.4 CC(C)CCCCO CNP0497904.0 [2,0,0,0,0,0|0,0,0]=2 40 B7R0.4 CC(O)CCCCO CNP0285438.0 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCCC(C)CC=O CNP0405888.0 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.7 CCCC(C)CCC CNP0137963.0 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCCC(O)CCC CNP0407378.0 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [2,0,0,0,0,0|0,0,0]=2 60 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.7 OCCC(O)CCO CNP0198973.0 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [2,0,0,0,0,0|0,0,0]=2 65 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.8 COCCC(C)(C)S CNP0210797.0 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [2,0,0,0,0,0|0,0,2]=4 68 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [2,0,0,0,0,0|0,0,0]=2 69 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.9 C[N+](C)(C)CC(O)O CNP0500510.0 [2,0,0,0,0,0|2,0,0]=4 74 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.14 CCCC(CO)CC(C)C CNP0076276.0 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [1,1,0,0,0,0|1,0,0]=3 78 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [1,1,0,0,0,0|0,0,2]=4 79 B9R0.53 CC(C)CC(C)CC(C)C CNP0076048.0 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.53 CC(C)CC(O)CC(C)C CNP0003532.0 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.38 C[N+](C)(C)CCCCCN CNP0218672.0 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [1,1,0,0,0,0|0,0,2]=4 86 B9R0.56 C[C@@H](N)CCCC(C)(C)O CNP0355424.2 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.56 C[C@H](N)CCCC(C)(C)O CNP0355424.1 [1,1,0,0,0,0|2,0,0]=4 88 B9R0.56 C[C@H](O)OCC[N+](C)(C)C CNP0065769.1 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.22 CCC(C)CC(C)(C)CC CNP0084850.0 [1,1,0,0,0,0|0,0,0]=2 91 B9R0.9 CCC(CCO)C(C)(C)O CNP0517221.0 [0,1,0,0,1,0|1,0,0]=3 92 B11R0.82 CCCN=C(C)CCC(C)(C)C CNP0345320.0 [0,1,0,0,0,1|1,0,1]=4 93 B11R0.186 CN(CCO)C(=O)OC(C)(C)C CNP0083002.0 [0,1,0,0,0,1|1,0,1]=4 94 B11R0.245 CCCCC(C)(C)CC(C)(C)C CNP0085633.0 [0,2,0,0,0,0|1,0,0]=3 95 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C CNP0313021.0 [0,2,0,0,0,0|1,0,0]=3 96 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [1,0,0,1,0,0|0,0,0]=2 99 B9R1.34 C[C@H]1C[C@@H](C[C@H](C1)C)C CNP0111309.1 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.34 C[C@H]1C[C@H](C[C@H](C1)C)C CNP0566092.0 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.66 C[C@H]1CC=CC(C1)(C)C CNP0096572.1 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.68 C[C@@H]1CCN1C(C)(C)C CNP0463928.2 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.68 C[C@H]1CCN1C(C)(C)C CNP0463928.1 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.115 CC(C)(C)OCC1CO1 CNP0085648.0 [1,0,0,1,0,0|1,0,0]=3 106 B9R1.133 CC1(OC[C@@H](O1)CO)C CNP0343088.1 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [1,0,0,1,0,0|0,0,2]=4 109 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [0,0,0,1,1,0|1,0,0]=3 110 B11R1.325 CC1=C(C(C[C@@H](C1)O)(C)C)C CNP0426650.1 [0,1,0,1,0,0|0,0,2]=4 111 B11R1.325 CC1CC(=O)CC(C1C)(C)C CNP0465288.0 [0,1,0,1,0,0|0,0,2]=4 112 B11R1.325 CC1CC(=O)CC(C1O)(C)C CNP0611899.0 [0,1,0,1,0,0|0,0,2]=4 113 B11R1.325 C[C@@H]1C[C@H](CC(C1=O)(C)C)O CNP0422029.1 [0,1,0,1,0,0|0,0,1]=3 114 B11R1.325 C[C@@H]1O[C@@H](C[C@@]([C@H]1O)(C)O)O CNP0128623.2 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.325 C[C@@H]1O[C@H](C[C@]([C@H]1O)(C)N)O CNP0136983.2 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.325 C[C@H]1O[C@@H](C[C@]([C@@H]1O)(C)N)O CNP0136983.1 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.325 C[C@H]1O[C@@H](C[C@]([C@@H]1O)(C)O)O CNP0128623.1 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.325 C[C@H]1O[C@H](C[C@@]([C@@H]1O)(C)N)O CNP0136983.3 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.342 CC1(CCCC(=CCO)C1)C CNP0227050.0 [0,1,0,1,0,0|0,0,2]=4 120 B11R1.390 CC1=C(CCC(C1)(C)C)CO CNP0136532.0 [0,1,0,1,0,0|0,0,2]=4 121 B11R1.390 C[C@@H]1CC(CC=C1CO)(C)C CNP0332441.2 [0,1,0,1,0,0|0,0,1]=3 122 B11R1.390 C[C@H]1CC(CC=C1CO)(C)C CNP0332441.1 [0,1,0,1,0,0|0,0,1]=3 123 B11R1.58 CCC1OCOC1C(C)(C)C CNP0345597.0 [0,1,0,1,0,0|1,0,0]=3 124 B11R1.1362 CC1(CC(CC(N1)(C)C)O)C CNP0568509.0 [0,1,0,1,0,0|1,0,0]=3 125 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,0,0,0,1,0|0,0,2]=4 126 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [1,0,0,0,1,0|1,0,1]=4 127 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [1,0,0,0,1,0|0,0,2]=4 128 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [1,0,0,0,1,0|1,0,0]=3 129 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,0,0,0,1,0|1,0,0]=3 130 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [1,0,0,0,1,0|2,0,0]=4 131 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [1,0,0,0,0,1|2,0,0]=4 132 B11R0.180 C[C@@H](C/C=C/C(C)(C)O)CCO CNP0380219.1 [0,0,0,0,0,2|1,0,0]=3 133 B11R0.180 C[C@H](CCO)CCCC(C)(C)O CNP0335724.1 [0,0,0,0,0,2|1,0,0]=3