0 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,0,0,0,0,0|2,1,0]=3 23 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,0,0|0,0,0]=0 24 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,0,0|0,1,0]=1 26 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,0,0,0,0|0,2,0]=2 27 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,0,0|1,1,1]=3 28 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [0,0,0,0,0,0|4,0,0]=4 47 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.2 O=S(O)OS(=O)O CNP0441675.0 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 C=CCC(=O)O CNP0172155.0 [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|0,0,1]=2 61 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,1,1]=4 66 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|0,1,1]=3 67 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,0,0,0,0|2,1,0]=4 70 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,0,0,0,0|2,1,0]=4 76 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|0,0,1]=2 86 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|0,0,1]=2 90 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|0,1,1]=3 91 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,0|0,0,1]=2 111 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,0|1,1,1]=4 131 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,0,0|1,1,1]=4 143 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.9 CC(=O)OP(=O)(O)O CNP0284907.0 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.9 CC(C)OS(=O)(=O)C CNP0071159.0 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.9 NC(=O)OP(=O)(O)O CNP0209834.0 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,0|3,0,0]=4 148 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.16 CC(=O)C(=C(Br)Br)Br CNP0266625.0 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.16 CC(=O)C(=C(Br)Br)Cl CNP0369755.0 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,0,0|1,0,0]=2 155 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,1,0,0|1,0,1]=3 171 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,1,0,0|2,1,0]=4 173 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,1,0,0|2,1,0]=4 176 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,0,0,1,0,0|2,1,0]=4 180 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,1,0,0|2,1,0]=4 184 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,0,0,1,0,0|2,1,0]=4 185 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|1,0,2]=4 188 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|1,1,1]=4 190 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|1,0,1]=3 192 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|1,0,1]=3 193 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,0,0,1,0,0|1,0,2]=4 196 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,0,0,1,0,0|1,0,2]=4 197 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,1,0,0|0,0,2]=3 198 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,1,0,0|1,0,1]=3 199 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,1,0,0|0,0,0]=1 202 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|1,0,2]=4 203 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,1,0,0|2,1,0]=4 207 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,0|3,0,0]=4 210 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,0,0,1,0|2,0,0]=3 211 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,1,0|1,0,0]=2 212 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,0,0,1,0|2,0,0]=3 213 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,0,0,1,0|2,0,0]=3 214 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,1,0|2,0,0]=3 215 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,0,0,1,0|1,0,2]=4 216 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,0,0,1,0|1,0,2]=4 217 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,0,0,0,1,0|2,0,1]=4 218 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,0,0,0,1,0|2,0,1]=4 219 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,0,0,0,1,0|2,0,1]=4 220 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,0,0,0,1,0|2,0,1]=4 221 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,0,0,0,1,0|2,0,1]=4 222 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,0,0,0,1,0|1,0,2]=4 223 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,0,0,1,0|2,0,0]=3 224 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,1,0|1,0,1]=3 225 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,1,0|2,0,0]=3 226 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,1,0|0,0,0]=1 227 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,1,0|1,0,0]=2 228 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,1,0|1,0,0]=2 229 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,0,0,1,0|2,0,1]=4 230 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,1,0|1,0,1]=3 231 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,1,0|0,1,1]=3 232 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,1,0|1,0,2]=4 233 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,1,0|2,0,0]=3 234 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,1,0|0,0,2]=3 235 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,1,0|0,0,2]=3 236 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,1,0|2,0,1]=4 237 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,1,0|2,0,1]=4 238 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,1,0|2,0,1]=4 239 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,1,0|1,0,2]=4 240 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,1,0|1,0,2]=4 241 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,1,0|1,0,2]=4 242 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,1,0|1,0,2]=4 243 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,1,0|1,0,2]=4 244 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,1,0|2,0,1]=4 245 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,1,0|1,0,2]=4 246 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,1,0|2,0,1]=4 247 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,1,0|1,0,2]=4 248 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,1,0|1,1,1]=4 249 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,0,0,0,1,0|2,0,0]=3 250 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,0,0,0,1,0|2,0,0]=3 251 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,0,0,0,1,0|2,0,0]=3 252 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,0,0,0,1,0|2,0,0]=3 253 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,0,0,0,1,0|2,0,0]=3 254 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,1|2,0,0]=3 255 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,0,0,0,0,1|3,0,0]=4 256 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,1|3,0,0]=4 257 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,1|1,0,0]=2 258 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,1|2,0,0]=3 259 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,1|2,0,1]=4 260 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,1|1,0,0]=2 261 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,1|2,0,0]=3 262 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,1|2,0,0]=3 263 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,1|2,0,0]=3 264 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,1|2,0,1]=4 265 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,1|0,0,0]=1 266 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,1|1,0,1]=3 267 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,1|2,0,0]=3 268 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,1|2,0,1]=4 269 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,1|1,0,0]=2 270 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [0,0,0,0,0,1|2,0,0]=3 271 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,1|0,0,0]=1 272 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,1|1,0,1]=3 273 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [0,0,0,0,0,1|2,0,0]=3 274 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,1|0,0,0]=1 275 B7R0.6 NC(=O)C#CC(=O)N CNP0111468.0 [0,0,0,0,0,1|3,0,0]=4 276 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,0,0,0,0,1|3,0,0]=4 277 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,0,0,0,0,1|3,0,0]=4 278 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,0,0,0,0,1|3,0,0]=4 279 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,0,1|3,0,0]=4 280 B7R0.6 NC(=O)N=NC(=O)N CNP0081464.0 [0,0,0,0,0,1|3,0,0]=4 281 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,0,1|3,0,0]=4 282 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,0,0,0,0,1|3,0,0]=4 283 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,0,0,0,0,1|3,0,0]=4 284 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [0,0,0,0,0,1|3,0,0]=4 285 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,0,0,0,0,1|3,0,0]=4 286 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,0,0,0,0,1|3,0,0]=4 287 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,0,0,0,0,1|3,0,0]=4 288 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,0,0,0,0,1|3,0,0]=4 289 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,0,0,0,0,1|3,0,0]=4 290 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,0,0,0,0,1|3,0,0]=4 291 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,0,0,0,0,1|3,0,0]=4 292 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,0,0,0,0,1|3,0,0]=4 293 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,0,0,0,0,1|3,0,0]=4 294 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,0,0,0,0,1|3,0,0]=4 295 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|0,0,2]=4 298 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,1]=3 300 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|1,0,1]=4 303 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|1,0,1]=4 304 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|0,0,0]=2 306 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 309 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|0,0,2]=4 310 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|0,1,1]=4 311 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 312 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|1,0,1]=4 314 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|0,0,1]=3 315 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,0]=3 316 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|1,0,1]=4 317 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|1,0,1]=4 318 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,0]=3 320 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,1]=3 322 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,1]=4 324 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,1]=4 325 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,1]=4 327 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,1]=4 328 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,1]=4 329 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 332 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 333 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,0]=2 335 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 336 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,1,0]=3 337 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|0,0,2]=4 338 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|0,0,2]=4 339 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|0,0,2]=4 344 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|1,0,0]=3 345 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,1]=4 346 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|1,0,1]=4 348 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|0,0,1]=3 349 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|0,0,2]=4 350 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|1,0,1]=4 351 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,0]=3 354 B4R0.2 O=[As]O[As]=O CNP0507371.0 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 O=[Fe]O[Fe]=O CNP0593370.0 [2,0,0,0,0,0|2,0,0]=4 356 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,1,0,0,0,0|0,0,2]=4 358 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.1 CC=NN(C)C=O CNP0241743.0 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,1,0,0,0,0|0,0,2]=4 374 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|0,0,1]=3 375 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|0,0,1]=3 376 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,1,0,0,0,0|0,0,1]=3 377 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|0,1,1]=4 378 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|0,0,1]=3 404 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|0,1,1]=4 405 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|0,0,1]=3 411 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|0,0,1]=3 412 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|0,0,1]=3 413 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|1,0,0]=3 417 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,1]=3 421 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,1,1]=4 422 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,1]=4 424 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|2,0,0]=4 426 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,0,1]=4 427 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|0,1,1]=4 428 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|2,0,0]=4 430 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,1,0,0,1,0|1,0,1]=4 435 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,1,0,0,1,0|0,0,2]=4 436 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,1|1,0,0]=3 437 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,0,0,0,1|0,0,2]=4 438 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,0,0,0,1|0,0,2]=4 439 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,1|2,0,0]=4 440 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,1,0,0,0,1|1,0,0]=3 441 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,1|1,0,0]=3 442 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,1|2,0,0]=4 443 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,1|1,0,0]=3 444 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,1|2,0,0]=4 445 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,1|0,0,0]=2 446 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,1|2,0,0]=4 447 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,0,0,0,1|1,0,1]=4 448 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,1|1,0,1]=4 449 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,1|1,0,1]=4 450 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,1,0,0,0,1|1,0,0]=3 451 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,1|2,0,0]=4 452 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,1|2,0,0]=4 453 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,1|2,0,0]=4 454 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,1|1,0,0]=3 455 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,1,0,0,0,1|2,0,0]=4 456 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,1|2,0,0]=4 457 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,1|1,0,0]=3 458 B8R0.9 COC(=O)NNC(=O)N CNP0304679.0 [0,1,0,0,0,1|2,0,0]=4 459 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,1,0,0,0,1|2,0,0]=4 460 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,1,0,0,0,1|2,0,0]=4 461 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,1,0,0,0,1|2,0,0]=4 462 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,0,0,0,1|2,0,0]=4 463 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,1|2,0,0]=4 464 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,1,0,0,0,1|2,0,0]=4 465 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,0,1|1,0,0]=3 466 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,1,0,0,0,1|2,0,0]=4 467 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,1,0,0,0,1|2,0,0]=4 468 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,1,0,0,0,1|2,0,0]=4 469 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,1,0,0,0,1|1,0,0]=3 470 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,1|0,0,0]=2 471 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,0,0,0,1|1,0,0]=3 472 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,1|2,0,0]=4 473 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,1,0,0,0,1|2,0,0]=4 474 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.2 CNC(=O)N(O)C(=O)O CNP0326331.0 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|1,0,1]=4 486 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,2,0,0,0,0|2,0,0]=4 492 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,2,0,0,0,0|0,0,2]=4 493 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,2,0,0,0,0|0,0,0]=2 499 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|1,0,1]=4 500 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,2,0,0,0,0|1,0,0]=3 503 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,2,0,0,0,0|0,0,0]=2 504 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,2,0,0,0,0|1,0,1]=4 505 B8R0.24 CCC(=O)OP(=O)(O)O CNP0265656.0 [0,2,0,0,0,0|2,0,0]=4 506 B8R0.34 C=CC(C)(C)OC(=O)C CNP0166315.0 [0,2,0,0,0,0|1,0,1]=4 507 B8R0.34 CC(=O)OC(C)(C)C#N CNP0160424.0 [0,2,0,0,0,0|1,0,1]=4 508 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,2,0,0,0,0|1,0,1]=4 509 B8R0.18 CC(=O)C(C=N)C(=O)C CNP0124346.0 [0,2,0,0,0,0|1,0,0]=3 510 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.37 CC(=O)[C@](C)(O)C(=O)O CNP0358968.1 [0,2,0,0,0,0|2,0,0]=4 512 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|2,0,0]=4 513 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,1,0,0|1,0,1]=4 514 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|1,0,1]=4 515 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,1,0,0|2,0,0]=4 516 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|1,0,0]=3 517 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|2,0,0]=4 518 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|0,0,1]=3 519 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,1]=4 521 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,1]=3 522 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|0,1,1]=4 523 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 524 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 526 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|2,0,0]=4 527 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,1,0,0|2,0,0]=4 528 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,1]=4 529 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,1,0,0|1,0,1]=4 530 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,1]=3 531 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|0,0,2]=4 532 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,1,0|1,0,1]=4 533 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,1|2,0,0]=4 534 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,1|1,0,1]=4 535 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,1,0,1|1,0,0]=3 536 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,0,0,1,0,1|0,0,2]=4 537 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,1|1,0,0]=3 538 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,1|0,0,0]=2 539 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,0,0,1,0,1|2,0,0]=4 540 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,1|1,0,1]=4 541 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|0,0,2]=4 558 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,1,0,0|1,1,0]=4 564 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,1,0,1,0,0|0,0,2]=4 569 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,1,0,1,0,0|0,0,1]=3 572 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,1,0,0|1,1,0]=4 574 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,1,0,0|0,0,1]=3 577 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|0,0,0]=2 581 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.18 CN1CC(=NC1=O)O CNP0592460.0 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.18 CN1CC(=O)N=C1N CNP0309599.0 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.18 CN1CC(=O)NC1=N CNP0525234.0 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.18 CN1CC(=O)NC1=O CNP0220202.0 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|0,0,2]=4 587 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|0,0,1]=3 594 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.18 O=C1NC(=O)[C@@H](N1)O CNP0248349.1 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|1,1,0]=4 600 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,1,0,0|1,1,0]=4 601 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,1,0,0|1,0,0]=3 605 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,0,2|2,0,0]=4 606 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,2|1,0,0]=3 607 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,0,0,0,0,2|2,0,0]=4 608 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,0,0,0,0,2|2,0,0]=4 609 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,2|2,0,0]=4 610 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,0,2|1,0,0]=3 611 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,0,2|2,0,0]=4 612 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,2|0,0,0]=2 613 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,0,2|2,0,0]=4 614 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,0,0,0,2|1,0,0]=3 615 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,0,0,0,2|1,0,1]=4 616 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,0,0,0,0,2|0,1,1]=4 617 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [0,0,0,0,0,2|1,0,1]=4 618 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,0,0,0,2|1,1,0]=4 619 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,0,0,0,2|2,0,0]=4