0 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,0,0,0,0,0|0,1,2]=3 3 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,0,0,0,0,0|1,1,1]=3 6 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,0,0,0,0,0|1,1,0]=2 8 B7R0.9 CC(O)CP(=O)(O)O CNP0083683.0 [0,0,0,0,0,0|3,1,0]=4 9 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,0,0,0,0,0|2,1,0]=3 10 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,0,0,0,0,0|0,1,0]=1 12 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,0,0,0,0,0|0,1,0]=1 13 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.9 C[N+](C)(C)CC(O)O CNP0500510.0 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,0,0,0,0|0,1,1]=3 19 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,0,0,0,0|0,1,1]=3 20 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,0,0,0,0|1,1,1]=4 22 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,0,0,0,0,0|0,0,0]=1 25 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.2 CC(C)NC(C)C CNP0209283.0 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.2 CC(C)SC(C)C CNP0213199.0 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,0,0,0,0,0|1,1,1]=4 31 B6R0.2 CC(S)SC(C)S CNP0174729.0 [1,0,0,0,0,0|1,1,0]=3 32 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,0,0,0,0|1,1,1]=4 36 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,0,0,0,0,0|0,1,0]=2 37 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,0,0,0,0|1,1,1]=4 39 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [1,0,0,0,0,0|2,1,0]=4 43 B6R0.5 CC(C)(S)CCO CNP0215542.0 [1,0,0,0,0,0|0,0,0]=1 44 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,0,0,0,0,0|0,1,0]=2 47 B6R0.5 CCCC(O)(O)O CNP0084720.0 [1,0,0,0,0,0|2,1,0]=4 48 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.5 CCOC(C)(C)C CNP0285210.0 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.5 CCSC(C)(C)C CNP0186557.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [1,0,0,0,0,0|1,1,0]=3 53 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [1,0,0,0,0,0|2,1,0]=4 56 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [1,0,0,0,0,0|1,1,0]=3 59 B8R0.24 CC(=NO)CC(C)(C)N CNP0278445.0 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.24 CC(=NO)CC(C)(C)O CNP0122386.0 [0,1,0,0,0,0|0,1,1]=3 61 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [0,1,0,0,0,0|1,1,0]=3 63 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,1,0,0,0,0|0,1,2]=4 64 B8R0.24 COC(C)C[N+](C)(C)C CNP0501897.0 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,1,0,0,0,0|1,1,1]=4 69 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,1,0,0,0,0|1,1,1]=4 70 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,1,0,0,0,0|1,1,1]=4 71 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.27 C[C@H]([C@H]([O-])O)[N+](C)(C)C CNP0440483.1 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.33 CC(C)(O)CC(C)(C)O CNP0357165.0 [0,1,0,0,0,0|0,1,0]=2 75 B8R0.34 C=C(C)CC(C)(C)CO CNP0600744.0 [0,1,0,0,0,0|1,1,1]=4 76 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,1,0,0,0,0|1,1,1]=4 77 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,1,0,0,0,0|0,0,2]=3 78 B8R0.34 C[C@H](O)C[C@](C)(O)CO CNP0530490.1 [0,1,0,0,0,0|0,1,0]=2 79 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,0,0,1,0,0|1,1,0]=3 82 B8R1.51 CC1COC(O1)(C)C CNP0082638.0 [0,0,0,1,0,0|2,1,0]=4 83 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.51 O=S1(=O)C[C@@H](CS1)O CNP0319965.1 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.51 O=S1(=O)C[C@H](CS1)O CNP0319965.2 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|2,0,1]=4 87 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,0,0,0,1,0|1,0,2]=4 88 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,0,0,0,1,0|0,1,2]=4 89 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,0,0,0,1,0|2,0,1]=4 90 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,0,0,0,1,0|2,0,1]=4 91 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,0,0,0,1,0|1,1,1]=4 92 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,0,0,0,1,0|2,0,0]=3 93 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,0,0,0,1,0|0,1,0]=2 94 B8R0.29 CC(C)NCC(C)(C)N CNP0083049.0 [0,0,0,0,0,1|2,0,0]=3 95 B8R0.29 C[C@@H](O)/C=C/C(C)(C)O CNP0384905.1 [0,0,0,0,0,1|0,1,1]=3 96 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|0,0,2]=4 97 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|0,0,2]=4 98 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|0,0,2]=4 99 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|0,0,2]=4 100 B5R0.1 C=CCC(C)O CNP0594112.0 [2,0,0,0,0,0|0,0,2]=4 101 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|0,0,2]=4 102 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|0,1,1]=4 103 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|0,0,2]=4 104 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|0,0,2]=4 105 B5R0.1 CC(C)C=NO CNP0180575.0 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.1 CC(C)CC#N CNP0003467.0 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,0,2]=4 108 B5R0.1 CC(C)CCN CNP0107663.0 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,0,0]=2 110 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|0,1,0]=3 111 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|0,0,0]=2 113 B5R0.1 CC(S)CCS CNP0003105.0 [2,0,0,0,0,0|0,1,0]=3 114 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|0,0,2]=4 115 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|0,0,2]=4 116 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|0,0,2]=4 117 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,2]=4 119 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|0,0,0]=2 121 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|0,0,0]=2 122 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|0,0,0]=2 125 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|0,0,0]=2 126 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 CCSC(C)C CNP0254931.0 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.1 CCSC(C)S CNP0579398.0 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 CN(C)CCCl CNP0328789.0 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CN=CC(C)C CNP0149349.0 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 CNCC(C)C CNP0273998.0 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 CSSC(C)C CNP0267830.0 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|0,1,1]=4 138 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|0,1,0]=3 139 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|0,1,0]=3 140 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.4 CC(C)(C)OO CNP0609042.0 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.4 CC(C)(O)CN CNP0332905.0 [2,0,0,0,0,0|1,1,0]=4 143 B5R0.4 CC(C)(O)CO CNP0307478.0 [2,0,0,0,0,0|0,1,0]=3 144 B5R0.4 CC(C)(S)CS CNP0258725.0 [2,0,0,0,0,0|0,1,0]=3 145 B5R0.4 CCC(C)(C)C CNP0113159.0 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.4 CCC(C)(C)I CNP0076730.0 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.4 CCC(C)(C)N CNP0083061.0 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.4 CCC(C)(C)O CNP0239239.0 [2,0,0,0,0,0|0,1,0]=3 149 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [2,0,0,0,0,0|1,1,0]=4 150 B5R0.4 COC(C)(C)C CNP0379426.0 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.4 CP(=O)(C)CO CNP0140331.0 [2,0,0,0,0,0|1,1,0]=4 152 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,1,0,0,0,0|1,0,0]=3 160 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|0,0,1]=3 161 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|0,0,2]=4 165 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|0,1,1]=4 171 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [1,1,0,0,0,0|1,1,0]=4 173 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [1,1,0,0,0,0|0,0,2]=4 177 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [1,1,0,0,0,0|1,1,0]=4 194 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.8 COCCC(C)(C)S CNP0210797.0 [1,1,0,0,0,0|0,0,0]=2 196 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [1,1,0,0,0,0|0,1,0]=3 198 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [1,1,0,0,0,0|1,1,0]=4 200 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,1,0,0,1,0|2,0,0]=4 203 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,1,0,0,1,0|0,1,0]=3 204 B7R0.17 CC(C)(C)C(C)(C)C CNP0172019.0 [0,1,0,0,1,0|2,0,0]=4 205 B7R0.17 CC(C)(O)C(C)(C)O CNP0386051.0 [0,1,0,0,1,0|0,1,0]=3 206 B9R0.77 CC(C)(O)C#CC(C)(C)O CNP0046877.0 [0,1,0,0,0,1|0,1,1]=4 207 B9R0.22 CCC(C)CC(C)(C)CC CNP0084850.0 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.44 CC(CC=O)CC(C)(C)C CNP0185599.0 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.44 CC(CCO)CC(C)(C)C CNP0077264.0 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.44 CCCC(C)CC(C)(C)C CNP0003380.0 [0,2,0,0,0,0|2,0,0]=4 211 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|0,0,2]=4 213 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,0,2]=4 214 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|0,0,0]=2 215 B7R1.2 CC1CCC(S1)C CNP0003500.0 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [1,0,0,1,0,0|1,1,0]=4 220 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.2 [O-][S@+]1C[C@@H](CS1)O CNP0533380.4 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.2 [O-][S@+]1C[C@H](CS1)O CNP0533380.3 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.2 [O-][S@@+]1C[C@@H](CS1)O CNP0533380.1 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.2 [O-][S@@+]1C[C@H](CS1)O CNP0533380.2 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.2 [O-][S@H+]1C[C@@H](CS1)O CNP0479005.2 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.2 [O-][S@H+]1C[C@H](CS1)O CNP0479005.1 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.14 CC1(CCCC1)C CNP0125073.0 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.14 CC1(CCCC1)O CNP0579828.0 [1,0,0,1,0,0|0,1,0]=3 229 B7R1.14 CC1(CCCS1)S CNP0002611.0 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.14 CC1(CCSS1)C CNP0245767.0 [1,0,0,1,0,0|0,1,0]=3 231 B7R1.14 CC1(CSSS1)C CNP0283830.0 [1,0,0,1,0,0|1,1,0]=4 232 B7R1.23 CCC1OC1(C)C CNP0495056.0 [1,0,0,1,0,0|0,1,0]=3 233 B9R1.10 CC1(C=CC(CC1)O)C CNP0533712.0 [0,0,0,1,0,1|1,0,1]=4 234 B9R1.10 C[C@@]1(CC[C@H](CC1)O)O CNP0296660.1 [0,0,0,1,0,1|0,1,0]=3 235 B9R1.115 CC(C)(C)OCC1CO1 CNP0085648.0 [0,0,0,1,0,1|1,0,0]=3 236 B9R1.146 CC1(CCC(O1)(C)C)C CNP0103388.0 [0,0,0,1,0,1|1,1,0]=4 237 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.66 C[C@H]1CC=CC(C1)(C)C CNP0096572.1 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.66 C[N+]1(CCOC(C1)O)C CNP0499821.0 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.133 CC1(OC[C@@H](O1)CO)C CNP0343088.1 [0,1,0,1,0,0|1,1,0]=4 242 B9R1.138 CC1(OCC(C1O)O)O CNP0147041.0 [0,1,0,1,0,0|1,1,0]=4 243 B9R2.110 OC12CCC(C1)CC2 CNP0551977.0 [0,0,0,2,0,0|1,1,0]=4 244 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,0,0,1,0|0,0,2]=4 245 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,0,0,1,0|0,0,2]=4 246 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,1,0|0,0,2]=4 247 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,1,0|0,0,2]=4 248 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,1,0|0,0,2]=4 249 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,0,0,1,0|0,0,2]=4 250 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,0,0,1,0|0,1,1]=4 251 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,0,0,1,0|0,1,1]=4 252 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,1,0|1,0,1]=4 253 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,0,0,0,1,0|1,0,0]=3 254 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,0,0,0,1,0|2,0,0]=4 255 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,0,0,0,1,0|1,0,0]=3 256 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,0,0,0,1,0|0,0,0]=2 257 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,0,0,0,1,0|0,1,0]=3 258 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,0,0,0,1,0|0,0,0]=2 259 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,0,0,0,1,0|0,0,0]=2 260 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,0,0,0,1,0|0,1,0]=3 261 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,0,0,0,1,0|0,1,0]=3 262 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [1,0,0,0,1,0|2,0,0]=4 263 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,0,0,0,1,0|0,1,0]=3 264 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,0,0,0,1,0|0,1,0]=3 265 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,1,0|1,0,1]=4 266 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,1|0,0,2]=4 267 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,1|0,0,2]=4 268 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,1|0,0,2]=4 269 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,1|0,0,2]=4 270 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,1|1,0,1]=4 271 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [1,0,0,0,0,1|1,0,0]=3 272 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [1,0,0,0,0,1|1,0,1]=4 273 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [1,0,0,0,0,1|2,0,0]=4 274 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [1,0,0,0,0,1|0,1,1]=4 275 B7R0.6 CC(O)COC(C)C CNP0503370.0 [1,0,0,0,0,1|0,0,0]=2 276 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,0,0,0,0,2|0,0,2]=4 277 B9R0.56 C[C@@H](N)CCCC(C)(C)O CNP0355424.2 [0,0,0,0,0,2|1,1,0]=4 278 B9R0.56 C[C@H](N)CCCC(C)(C)O CNP0355424.1 [0,0,0,0,0,2|1,1,0]=4 279 B9R0.56 C[C@H](O)OCC[N+](C)(C)C CNP0065769.1 [0,0,0,0,0,2|2,0,0]=4