0 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,0,0|0,0,0]=0 22 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,0,0|1,1,1]=3 23 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,0,0,0,0|1,1,1]=3 24 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,0,0|0,1,0]=1 25 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,0,0,0,0,0|2,1,0]=3 34 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,0,0,0,0,0|2,1,0]=3 36 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,0,0,0,0,0|1,1,1]=3 37 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,0,0,0,0,0|1,2,1]=4 39 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,0,0|2,0,0]=2 49 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|0,0,2]=3 61 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|0,0,1]=2 62 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.1 CC(C)C=NO CNP0180575.0 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|1,1,1]=4 76 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,0,0,0,0,0|1,1,1]=4 79 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|0,0,0]=1 80 B5R0.1 CC(C)ON=N CNP0504626.0 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|1,1,1]=4 96 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.1 CCNC(=S)N CNP0415621.0 [1,0,0,0,0,0|2,1,0]=4 100 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|0,0,0]=1 101 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|0,0,1]=2 104 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|0,0,0]=1 105 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,0,0,0,0|2,1,0]=4 106 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|0,1,0]=2 107 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|0,1,1]=3 108 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|0,2,1]=4 109 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,0,0,0,0,0|2,1,0]=4 110 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|3,0,0]=4 120 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|1,1,0]=3 122 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|3,0,0]=4 124 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 127 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,0|1,0,0]=2 132 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,0,0,0,0|0,0,1]=2 134 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,0|0,0,1]=2 135 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|0,0,0]=1 158 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,1,0,0,0,0|2,1,0]=4 163 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,1,0,0,0,0|2,1,0]=4 164 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|0,0,0]=1 165 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|1,0,1]=3 170 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,0|2,0,0]=3 176 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,1,0,0,0,0|0,2,1]=4 181 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,0,0,0,0|1,0,0]=2 190 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,0,0|1,0,0]=2 192 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.9 CC(=O)OP(=O)(O)O CNP0284907.0 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.9 CC(C)OP(=O)(O)O CNP0588322.0 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.9 CC(C)OS(=O)(=O)C CNP0071159.0 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.9 C[As+](C)(C)CC(=O)[O-] CNP0085594.0 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.9 C[N+](C)(C)CC(=O)N CNP0509431.0 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.9 C[N+](C)(C)CC(=O)N CNP0510669.0 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0508048.0 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0513647.0 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,0|1,0,0]=2 219 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,0|1,0,0]=2 221 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,0|1,0,0]=2 223 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,0,0,0,0|2,0,0]=3 231 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,0,0|2,0,0]=3 232 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,0,0|3,0,0]=4 237 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,0,0|3,0,0]=4 256 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,0,0|2,0,0]=3 263 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|1,0,1]=3 264 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,1,0,0|1,1,1]=4 267 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,1,0,0|2,1,0]=4 268 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,1,0,0|1,0,2]=4 269 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|0,0,2]=3 270 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,1,0,0|1,0,2]=4 271 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,1,0,0|2,0,0]=3 275 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|1,0,1]=3 277 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|0,0,2]=3 278 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,1,0,0|1,0,2]=4 279 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|0,1,0]=2 281 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|1,0,2]=4 282 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,1,0,0|1,1,1]=4 283 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|0,0,0]=1 286 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,1,0,0|1,0,1]=3 288 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|0,0,0]=1 290 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,1,0,0|1,0,1]=3 296 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,0|1,0,2]=4 304 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,0,1,0,0|1,0,2]=4 305 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,0,0,1,0|1,0,2]=4 306 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,1,0|0,0,2]=3 307 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,0,0,1,0|1,0,2]=4 308 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,0,0,1,0|1,0,2]=4 309 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,1,0|1,0,2]=4 310 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,0,0,1,0|2,0,0]=3 311 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,0,0,1,0|2,0,0]=3 312 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,0,0,1,0|0,0,2]=3 313 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,0,0,1,0|1,0,1]=3 314 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,1,0|0,0,2]=3 315 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,1,0|2,0,1]=4 316 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,1,0|1,0,1]=3 317 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,1,0|2,0,1]=4 318 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,1,0|2,0,1]=4 319 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,0,0,1,0|2,0,0]=3 320 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,1,0|0,0,0]=1 321 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,1,0|1,0,0]=2 322 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,1,0|2,0,0]=3 323 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,1,0|1,0,0]=2 324 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,1,0|1,0,0]=2 325 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,1,0|1,0,0]=2 326 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,1,0|1,0,0]=2 327 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,1,0|1,0,0]=2 328 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,1,0|1,0,0]=2 329 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,0,0,0,1,0|1,0,1]=3 330 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,0,0,0,1,0|2,0,0]=3 331 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,0,0,0,1,0|1,0,1]=3 332 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,0,0,1,0|0,0,2]=3 333 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,0,0,0,1,0|0,1,1]=3 334 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,0,0,1,0|0,0,2]=3 335 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,0,0,1,0|2,0,0]=3 336 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,1,0|2,0,0]=3 337 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,1,0|2,0,0]=3 338 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,1,0|2,0,0]=3 339 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,1,0|2,0,0]=3 340 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,1,0|2,0,0]=3 341 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,0,0,0,1,0|1,0,2]=4 342 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,0,0,0,1,0|1,1,1]=4 343 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,0,0,0,1,0|3,0,0]=4 344 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,0,0,0,1,0|2,1,0]=4 345 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,1,0|2,0,0]=3 346 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,1,0|2,0,0]=3 347 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,0,0,0,1,0|1,0,2]=4 348 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,1,0|2,0,0]=3 349 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,1,0|2,0,0]=3 350 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,0,0,0,1,0|1,0,2]=4 351 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,0,0,0,1,0|1,0,2]=4 352 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,1,0|2,0,0]=3 353 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,0,0,0,1,0|3,0,0]=4 354 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,0,0,0,1,0|3,0,0]=4 355 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,0,0,0,1,0|3,0,0]=4 356 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,0,0,0,1,0|3,0,0]=4 357 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,0,0,0,1,0|3,0,0]=4 358 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,0,0,0,1,0|3,0,0]=4 359 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,0,0,0,1,0|3,0,0]=4 360 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,0,0,0,1,0|3,0,0]=4 361 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,0,0,0,1,0|3,0,0]=4 362 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,0,0,0,1,0|3,0,0]=4 363 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,0,0,0,1,0|3,0,0]=4 364 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,0,0,0,1,0|3,0,0]=4 365 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,0,0,0,1,0|3,0,0]=4 366 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,1|1,0,2]=4 367 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,0,0,0,0,1|2,0,1]=4 368 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,1|2,0,1]=4 369 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,1|2,0,1]=4 370 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,1|1,0,0]=2 371 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,1|2,0,1]=4 372 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,1|1,0,0]=2 373 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,1|1,0,1]=3 374 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,1|0,0,0]=1 375 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,1|1,0,0]=2 376 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,1|2,0,1]=4 377 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,1|1,0,1]=3 378 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,1|0,0,0]=1 379 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [0,0,0,0,0,1|2,0,1]=4 380 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,1|1,0,1]=3 381 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,0,0,0,1|2,0,0]=3 382 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,0,1|2,0,0]=3 383 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,0,1|2,0,0]=3 384 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,0,1|2,0,0]=3 385 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,0,1|2,0,0]=3 386 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,0,0,0,0,1|2,0,1]=4 387 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,0,0,0,0,1|2,0,1]=4 388 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,0,0,0,0,1|1,1,1]=4 389 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,0,0,0,0,1|0,0,2]=3 390 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,0,1|3,0,0]=4 391 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,0,1|3,0,0]=4 392 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,0,0,0,1|3,0,0]=4 393 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,0,1|3,0,0]=4 394 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,0,1|3,0,0]=4 395 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,0,0,0,1|3,0,0]=4 396 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,0,0,0,1|3,0,0]=4 397 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,0,1|3,0,0]=4 398 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|0,0,2]=4 399 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,2]=4 400 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,0]=3 401 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,2]=4 403 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|0,0,1]=3 404 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|1,0,1]=4 405 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|1,0,1]=4 406 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 407 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 408 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,0]=3 409 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,0]=3 410 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,0]=3 412 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,0]=3 413 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 415 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 416 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,0]=3 418 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,0]=2 419 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,0]=2 420 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,1]=4 421 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,2]=4 422 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,1,1]=4 423 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,0]=3 424 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,1]=3 425 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 426 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 427 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,0]=2 428 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 429 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 430 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 431 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,0]=3 432 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,0]=3 433 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,0]=3 434 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,0]=3 435 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,1]=3 436 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 437 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 438 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,1]=4 439 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 440 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 441 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 442 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 443 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 445 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 446 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|2,0,0]=4 447 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,0]=3 448 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,0]=2 449 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 450 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,1,0]=3 451 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|0,1,0]=3 452 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|1,1,0]=4 453 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,0]=3 454 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,0]=3 455 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 456 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 457 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|2,0,0]=4 461 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 464 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|2,0,0]=4 466 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|2,0,0]=4 467 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|2,0,0]=4 468 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|2,0,0]=4 469 B4R0.1 O=CC(Br)Br CNP0551465.0 [2,0,0,0,0,0|2,0,0]=4 470 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|0,0,1]=3 473 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|0,1,1]=4 474 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,0]=3 477 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|2,0,0]=4 478 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|2,0,0]=4 479 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|2,0,0]=4 480 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|2,0,0]=4 481 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|1,0,0]=3 482 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|2,0,0]=4 484 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|2,0,0]=4 485 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|2,0,0]=4 486 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 487 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|0,0,0]=2 488 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|0,0,1]=3 489 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|1,0,0]=3 490 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|0,1,1]=4 491 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|1,1,0]=4 492 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|2,0,0]=4 493 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|2,0,0]=4 495 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,1,0,0,0,0|2,0,0]=4 496 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,1,0,0,0,0|0,0,1]=3 498 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,1,0,0,0,0|1,0,0]=3 504 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,1,0,0,0,0|1,0,0]=3 505 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,1,0,0,0,0|0,0,0]=2 506 B6R0.1 CCC(C)ON=O CNP0521211.0 [1,1,0,0,0,0|1,0,0]=3 507 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|1,0,0]=3 508 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|1,0,1]=4 509 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,1,0,0,0,0|1,0,1]=4 510 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|1,0,0]=3 513 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|1,0,0]=3 514 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|1,0,0]=3 515 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|1,0,0]=3 516 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,1,0,0,0,0|1,0,1]=4 518 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|1,0,1]=4 522 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,1,0,0,0,0|1,0,1]=4 523 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|1,0,0]=3 525 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,1,0,0,0,0|0,0,1]=3 526 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|0,0,0]=2 527 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|0,0,0]=2 528 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,1,0,0,0,0|0,0,0]=2 529 B6R0.1 CCOC(C)CC CNP0086282.0 [1,1,0,0,0,0|0,0,1]=3 530 B6R0.1 CCOC(C)OC CNP0612171.0 [1,1,0,0,0,0|0,0,1]=3 531 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [1,1,0,0,0,0|0,0,2]=4 532 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|0,1,0]=3 533 B6R0.1 CCSC(C)SC CNP0611888.0 [1,1,0,0,0,0|0,1,1]=4 534 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [1,1,0,0,0,0|1,1,0]=4 535 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|2,0,0]=4 537 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|2,0,0]=4 538 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|2,0,0]=4 540 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,1,0,0,0,0|1,0,0]=3 543 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,1,0,0,0,0|1,0,0]=3 544 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|1,0,0]=3 548 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|2,0,0]=4 549 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|1,0,0]=3 551 B6R0.3 CCC(O)C(C)C CNP0265736.0 [1,1,0,0,0,0|1,0,1]=4 552 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.3 CCC(S)C(C)C CNP0611989.0 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|1,0,0]=3 555 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|2,0,0]=4 556 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|2,0,0]=4 557 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|2,0,0]=4 558 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|2,0,0]=4 559 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|1,0,0]=3 560 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|2,0,0]=4 561 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|1,0,0]=3 562 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|2,0,0]=4 563 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|2,0,0]=4 564 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|2,0,0]=4 565 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|2,0,0]=4 567 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|2,0,0]=4 568 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|2,0,0]=4 569 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,1,0,0,0,0|2,0,0]=4 570 B6R0.3 COC(=S)C(C)C CNP0507266.0 [1,1,0,0,0,0|2,0,0]=4 571 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|2,0,0]=4 572 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|2,0,0]=4 573 B6R0.3 CSC(C)C(C)C CNP0245218.0 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [1,1,0,0,0,0|2,0,0]=4 575 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|0,0,1]=3 578 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|0,1,1]=4 579 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,1,0,0,0,0|0,1,1]=4 580 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|0,0,0]=2 588 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|0,0,0]=2 589 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|0,0,0]=2 590 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|1,0,0]=3 593 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,1,0,0,0,0|1,0,0]=3 595 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|0,0,0]=2 596 B6R0.4 CC(C)CON=O CNP0224607.0 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.4 CC(C)NCCN CNP0082470.0 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.4 CC(C)NCCO CNP0141461.0 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.4 CC(C)OCCO CNP0079907.0 [1,1,0,0,0,0|0,0,1]=3 600 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|1,0,0]=3 602 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|2,0,0]=4 603 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|1,0,0]=3 604 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|1,0,0]=3 607 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|2,0,0]=4 609 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|2,0,0]=4 611 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,0]=3 612 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,0]=2 613 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,1,0]=3 614 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|0,1,1]=4 615 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|2,0,0]=4 616 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,0]=3 618 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|0,0,2]=4 620 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|0,1,1]=4 621 B6R0.4 CCSSC(C)C CNP0003135.0 [1,1,0,0,0,0|0,1,1]=4 622 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|2,0,0]=4 623 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|2,0,0]=4 625 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,0,0]=3 627 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|2,0,0]=4 628 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|2,0,0]=4 629 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|0,1,0]=3 630 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|2,0,0]=4 631 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,1,0,0,0,0|2,0,0]=4 632 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|2,0,0]=4 633 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|2,0,0]=4 634 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|2,0,0]=4 635 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.4 O=S(=O)OCCO CNP0082071.0 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [1,1,0,0,0,0|0,0,0]=2 638 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|1,0,1]=4 641 B6R0.5 CCOC(C)(C)C CNP0285210.0 [1,1,0,0,0,0|0,0,1]=3 642 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [1,1,0,0,0,0|1,0,0]=3 644 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [1,1,0,0,0,0|2,0,0]=4 645 B6R0.5 CCSC(C)(C)C CNP0186557.0 [1,1,0,0,0,0|0,1,1]=4 646 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [1,1,0,0,0,0|2,0,0]=4 647 B6R0.7 CC(=O)C(Br)(Br)Br CNP0017934.0 [0,1,0,0,1,0|2,0,0]=4 648 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,1,0,0,1,0|0,0,0]=2 649 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,1,0,0,1,0|0,0,0]=2 650 B6R0.7 CC(=O)C(Cl)(Br)Br CNP0075118.0 [0,1,0,0,1,0|2,0,0]=4 651 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,1,0,0,1,0|1,0,0]=3 652 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,1,0,0,1,0|1,0,0]=3 653 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [0,1,0,0,1,0|2,0,0]=4 654 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,1,0,0,1,0|1,0,0]=3 655 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,1,0,0,1,0|1,0,0]=3 656 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,1,0,0,1,0|1,0,1]=4 657 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,1,0,0,1,0|0,0,2]=4 658 B6R0.7 CN(C)P(=O)(C)C CNP0415109.0 [0,1,0,0,1,0|2,0,0]=4 659 B6R0.7 CN(C)S(=O)(=O)C CNP0085777.0 [0,1,0,0,1,0|2,0,0]=4 660 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,0,0,0,1|1,0,1]=4 661 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,1,0,0,0,1|1,0,1]=4 662 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,0,0,0,1|1,0,0]=3 663 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,0,0,0,1|1,0,0]=3 664 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,1|1,0,1]=4 665 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,1,0,0,0,1|0,0,1]=3 666 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,1|1,0,1]=4 667 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,1|1,0,0]=3 668 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,1|2,0,0]=4 669 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,1|1,0,1]=4 670 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,0,0,0,1|0,0,0]=2 671 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,1|1,0,0]=3 672 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,1|1,0,0]=3 673 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,1|2,0,0]=4 674 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,1|0,0,0]=2 675 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,1|2,0,0]=4 676 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,1|2,0,0]=4 677 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,1|0,0,0]=2 678 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,1|1,0,1]=4 679 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,1|1,0,0]=3 680 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,1|1,0,0]=3 681 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,1|2,0,0]=4 682 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,1,0,0,0,1|2,0,0]=4 683 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,1|2,0,0]=4 684 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,1,0,0,0,1|2,0,0]=4 685 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,0,1|1,0,0]=3 686 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,0,1|1,0,0]=3 687 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,0,0,0,1|1,0,0]=3 688 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,0,0,0,1|1,0,0]=3 689 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,1,0,0,0,1|2,0,0]=4 690 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,0,0,0,1|1,0,0]=3 691 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,1|1,0,1]=4 692 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,1|2,0,0]=4 693 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,1,0,0,0,1|2,0,0]=4 694 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,0,0,0,1|2,0,0]=4 695 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,0,0,0,1|2,0,0]=4 696 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,1,0,0,0,1|2,0,0]=4 697 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,0,0,0,1|2,0,0]=4 698 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,0,0,0,1|2,0,0]=4 699 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,1,0,0,0,1|1,0,1]=4 700 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,0,1|2,0,0]=4 701 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,0,1|2,0,0]=4 702 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,1,0,0,0,1|1,0,0]=3 703 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [0,1,0,0,0,1|2,0,0]=4 704 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,2,0,0,0,0|2,0,0]=4 705 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,2,0,0,0,0|1,0,1]=4 710 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,2,0,0,0,0|2,0,0]=4 711 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|2,0,0]=4 712 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,2,0,0,0,0|2,0,0]=4 713 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,2,0,0,0,0|2,0,0]=4 714 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,2,0,0,0,0|2,0,0]=4 715 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,2,0,0,0,0|2,0,0]=4 716 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|2,0,0]=4 717 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,2,0,0,0,0|2,0,0]=4 718 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,2,0,0,0,0|2,0,0]=4 719 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,2,0,0,0,0|2,0,0]=4 720 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,2,0,0,0,0|1,0,0]=3 722 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,2,0,0,0,0|1,0,0]=3 723 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,2,0,0,0,0|1,0,0]=3 724 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,2,0,0,0,0|2,0,0]=4 725 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,2,0,0,0,0|1,0,0]=3 726 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,2,0,0,0,0|2,0,0]=4 727 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,2,0,0,0,0|2,0,0]=4 728 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,2,0,0,0,0|2,0,0]=4 729 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,2,0,0,0,0|2,0,0]=4 730 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,2,0,0,0,0|2,0,0]=4 731 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,2,0,0,0,0|2,0,0]=4 732 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,2,0,0,0,0|2,0,0]=4 733 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|1,0,0]=3 734 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,2,0,0,0,0|1,0,0]=3 737 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|0,0,0]=2 738 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|1,0,0]=3 739 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|2,0,0]=4 740 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|0,0,0]=2 741 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,2,0,0,0,0|1,0,0]=3 743 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,2,0,0,0,0|2,0,0]=4 744 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,2,0,0,0,0|2,0,0]=4 745 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,2,0,0,0,0|2,0,0]=4 746 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,2,0,0,0,0|2,0,0]=4 747 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,2,0,0,0,0|0,1,0]=3 750 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,2,0,0,0,0|0,0,0]=2 751 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [0,2,0,0,0,0|0,0,0]=2 752 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,2,0,0,0,0|2,0,0]=4 753 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,2,0,0,0,0|1,0,0]=3 754 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,2,0,0,0,0|1,0,1]=4 755 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|1,0,1]=4 756 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,2,0,0,0,0|1,0,1]=4 757 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|1,0,1]=4 758 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,0]=3 759 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,0]=3 760 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,2,0,0,0,0|1,0,1]=4 761 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|0,0,0]=2 762 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|1,0,0]=3 763 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,2,0,0,0,0|1,0,1]=4 765 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|1,0,0]=3 766 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,2,0,0,0,0|1,0,1]=4 767 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,2,0,0,0,0|2,0,0]=4 768 B8R0.24 CC(=NO)CC(C)(C)N CNP0278445.0 [0,2,0,0,0,0|1,0,1]=4 769 B8R0.24 CC(=NO)CC(C)(C)O CNP0122386.0 [0,2,0,0,0,0|1,0,1]=4 770 B8R0.24 CC(C)(C)NC(=O)CCl CNP0053512.0 [0,2,0,0,0,0|1,0,0]=3 771 B8R0.24 CC(C)(C)OC(=O)NN CNP0500094.0 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,2,0,0,0,0|2,0,0]=4 773 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,2,0,0,0,0|0,0,0]=2 774 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.24 C[C@H](CO)OP(=O)(O)O CNP0315412.1 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.34 C=C(C)CC(C)(C)CO CNP0600744.0 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.34 C=CC(C)(C)OC(=O)C CNP0166315.0 [0,2,0,0,0,0|0,0,0]=2 778 B8R0.34 CC(=O)OC(C)(C)C#N CNP0160424.0 [0,2,0,0,0,0|0,0,0]=2 779 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,2,0,0,0,0|0,0,0]=2 780 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,2,0,0,0,0|2,0,0]=4 792 B8R0.33 C[Si](C)(C)O[As](=O)(C)C CNP0032392.0 [0,2,0,0,0,0|1,1,0]=4 793 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,2,0,0,0,0|2,0,0]=4 794 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,2,0,0,0,0|2,0,0]=4 795 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,2,0,0,0,0|2,0,0]=4 796 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,2,0,0,0,0|2,0,0]=4 797 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,2,0,0,0,0|2,0,0]=4 798 B8R0.37 CC(=O)[C@@](C)(O)[C@@H](C)O CNP0563769.1 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.37 CC(=O)[C@](C)(O)[C@@H](C)O CNP0563769.2 [0,2,0,0,0,0|2,0,0]=4 800 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,2,0,0,0,0|2,0,0]=4 802 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|2,0,0]=4 803 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|2,0,0]=4 804 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|1,1,0]=4 805 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|1,0,0]=3 806 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,1,0,0|1,1,0]=4 807 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|1,0,1]=4 808 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,1,0,0|0,1,1]=4 809 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|1,0,1]=4 810 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|0,0,1]=3 811 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,1,0,0|0,0,2]=4 812 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|2,0,0]=4 813 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|1,0,1]=4 814 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|2,0,0]=4 815 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|1,0,1]=4 816 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|0,0,2]=4 817 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|0,0,2]=4 818 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|1,0,0]=3 819 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,0]=3 820 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,0]=2 821 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|0,1,0]=3 822 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 823 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|2,0,0]=4 824 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 825 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|2,0,0]=4 826 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,0]=3 827 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|1,0,1]=4 828 B6R1.2 S=C1NCCO1 CNP0275785.0 [1,0,0,1,0,0|1,1,0]=4 829 B6R1.2 SC1=NCCO1 CNP0580429.0 [1,0,0,1,0,0|1,1,0]=4 830 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|1,0,1]=4 831 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,0]=2 832 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|1,0,0]=3 833 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|1,0,1]=4 834 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|2,0,0]=4 835 B6R1.9 CC1CC1(C)C CNP0507743.0 [1,0,0,1,0,0|1,0,1]=4 836 B6R1.10 CC1(CCO1)C CNP0252865.0 [1,0,0,1,0,0|0,0,1]=3 837 B6R1.10 CC1(CCS1)C CNP0181332.0 [1,0,0,1,0,0|0,1,1]=4 838 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,1,0|0,0,0]=2 839 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,1,0|0,1,1]=4 840 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,1|1,0,1]=4 841 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,0,1|1,0,0]=3 842 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,1|0,0,0]=2 843 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,0,1|2,0,0]=4 844 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,1|1,0,1]=4 845 B8R1.35 CC(C)OCC1CO1 CNP0071169.0 [0,0,0,1,0,1|0,0,2]=4 846 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,0,0,1,0,1|1,0,0]=3 847 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,0,0,1,0,1|2,0,0]=4 848 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,1|0,0,0]=2 849 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,0,0,1,0,1|1,0,0]=3 850 B8R1.51 CC1COC(O1)(C)C CNP0082638.0 [0,0,0,1,0,1|0,0,2]=4 851 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,1|2,0,0]=4 852 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,1,0,1,0,0|0,0,2]=4 853 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|0,0,2]=4 855 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,1,0,1,0,0|1,0,1]=4 856 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|0,0,2]=4 857 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|0,0,0]=2 858 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|0,0,0]=2 859 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|0,0,0]=2 864 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,1,0,0|0,0,2]=4 865 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|1,0,0]=3 866 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|0,0,0]=2 868 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|0,0,0]=2 869 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|0,0,0]=2 870 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|1,0,1]=4 871 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|1,0,1]=4 872 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|1,0,1]=4 873 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|1,0,1]=4 877 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|1,0,0]=3 878 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,1]=3 879 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,0]=2 881 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,1]=3 882 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,0]=2 884 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,1,0,0|0,1,0]=3 885 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,1,0,1,0,0|0,0,2]=4 886 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|1,0,1]=4 887 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,1,0,0|1,0,1]=4 888 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|0,0,1]=3 890 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|0,0,1]=3 891 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,1,0,0|1,0,1]=4 892 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,1,0,0|1,0,1]=4 894 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,1,0,1,0,0|0,0,2]=4 895 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,1]=4 896 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|0,0,0]=2 897 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,1,0,0|2,0,0]=4 898 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|1,0,0]=3 899 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,1,0,1,0,0|0,0,2]=4 900 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|1,0,0]=3 902 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|0,0,0]=2 903 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|0,0,0]=2 904 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|0,0,0]=2 905 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,1,0,0|0,0,2]=4 906 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|0,0,0]=2 907 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,1,0,0|0,0,2]=4 908 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|0,0,1]=3 909 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,1,0,1,0,0|1,0,1]=4 911 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,1,0,1,0,0|2,0,0]=4 912 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,1]=4 913 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|1,0,1]=4 914 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|1,0,0]=3 921 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,1,0,1,0,0|2,0,0]=4 922 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,2,0,0|0,0,2]=4 923 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,2|0,0,2]=4 924 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,0,0,0,0,2|2,0,0]=4 925 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,0,0,0,0,2|1,0,1]=4 926 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,0,0,0,0,2|1,0,1]=4 927 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,0,0,0,0,2|1,0,0]=3 928 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,2|1,0,1]=4 929 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,0,0,0,2|1,0,0]=3 930 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,2|1,0,1]=4 931 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,0,0,0,0,2|1,0,0]=3 932 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,0,0,0,2|0,0,1]=3 933 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,0,0,0,2|0,0,0]=2 934 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,0,0,0,0,2|1,0,0]=3 935 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [0,0,0,0,0,2|2,0,0]=4 936 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,0,0,0,2|0,1,1]=4 937 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,0,0,0,0,2|0,1,0]=3 938 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,0,0,0,2|2,0,0]=4 939 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,0,0,0,0,2|2,0,0]=4 940 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,0,0,0,2|2,0,0]=4 941 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,0,0,0,0,2|2,0,0]=4 942 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [0,0,0,0,0,2|1,0,1]=4