0 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,0,0,0,0|0,0,2]=2 24 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|1,0,3]=4 27 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,0,0,0,0|0,1,2]=3 30 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 COC(=O)CSC CNP0189712.0 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 COCC(=O)OC CNP0202591.0 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|0,0,3]=4 40 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.1 CCNC(=S)N CNP0415621.0 [1,0,0,0,0,0|2,1,0]=4 56 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|0,0,1]=2 57 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|0,0,1]=2 61 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,0,0,0,0|2,1,0]=4 62 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|0,1,1]=3 63 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,0,0,0,0,0|2,1,0]=4 64 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,0,0,0,0|0,0,3]=4 84 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|0,1,1]=3 86 B5R0.2 C=CCSSC CNP0333880.0 [1,0,0,0,0,0|1,1,1]=4 87 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|1,1,0]=3 88 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|1,1,1]=4 92 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.2 CCOCC#N CNP0184632.0 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,0,0,0,0,0|0,0,2]=3 105 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|0,0,0]=1 109 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|0,0,0]=1 110 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|0,0,2]=3 111 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|0,0,2]=3 113 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|0,0,2]=3 119 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|0,0,2]=3 122 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,0,0,0,0|1,0,1]=3 128 B5R0.3 COC(=O)NN CNP0033099.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.3 NCC(=O)NO CNP0470573.0 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|0,0,2]=3 144 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,1,0,0,0,0|1,0,2]=4 159 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|0,0,2]=3 161 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|0,0,2]=3 165 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,0,0,0,0|1,0,1]=3 166 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|0,0,0]=1 169 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,0,0,0,0|0,0,0]=1 171 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|0,0,0]=1 172 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|1,0,2]=4 179 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|0,0,1]=2 182 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,1,0,0,0,0|1,0,1]=3 183 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,0,0,0,0|0,0,2]=3 184 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,0,0,0,0|0,0,2]=3 185 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,1,0,0,0,0|1,0,1]=3 186 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,0,0,0,0|0,0,2]=3 187 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,1,0,0,0,0|1,0,1]=3 188 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,0,0,0,0|0,0,2]=3 190 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,0,0,0,0|0,0,0]=1 195 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,0,0,0,0|0,0,0]=1 201 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|0,0,2]=3 206 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|0,1,2]=4 207 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,0,0,0,0|0,0,0]=1 208 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,0,0,0,0|0,0,0]=1 209 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,0,0,0,0|0,0,0]=1 210 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|0,0,2]=3 211 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,0,0,0,0|0,0,2]=3 212 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,0,0,0,0|0,0,2]=3 213 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,0,0,0,0|0,0,2]=3 214 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,2]=4 221 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,1,0,0,0,0|2,0,1]=4 227 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,0,0,1,0,0|1,0,2]=4 228 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,0,0,1,0,0|0,0,2]=3 229 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,0,0,1,0,0|0,0,2]=3 230 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,1,0,0|1,0,1]=3 232 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,1,0,0|1,1,1]=4 233 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|0,0,2]=3 234 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|0,0,0]=1 237 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,1,0,0|1,0,1]=3 238 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,0|2,1,0]=4 239 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|1,0,2]=4 240 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|0,1,2]=4 241 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|1,0,1]=3 243 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|0,0,2]=3 244 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|0,0,2]=3 246 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,1,0,0|1,0,1]=3 251 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,1,0,0|1,0,2]=4 258 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,0,1,0,0|0,0,2]=3 260 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,0,0,1,0,0|2,0,1]=4 261 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|1,0,0]=2 262 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|1,0,2]=4 269 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|1,0,2]=4 270 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|0,0,2]=3 271 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|1,0,2]=4 273 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,1,0,0|1,0,1]=3 274 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|1,0,2]=4 275 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|1,0,2]=4 276 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,1,0,0|1,1,1]=4 277 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|0,0,0]=1 278 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,1,0,0|2,1,0]=4 281 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|1,0,2]=4 282 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|0,0,2]=3 283 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|1,1,1]=4 286 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|1,0,2]=4 287 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|0,0,2]=3 288 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|1,0,2]=4 290 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|0,0,2]=3 291 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|1,0,1]=3 293 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|1,0,1]=3 294 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|1,1,1]=4 295 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|2,0,1]=4 297 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,1,0,0|1,0,1]=3 300 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|1,0,1]=3 301 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,0,1,0,0|2,0,1]=4 302 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 303 B4R0.1 C=C(Br)CO CNP0506207.0 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.1 C=CC(=N)N CNP0498731.0 [2,0,0,0,0,0|2,0,0]=4 310 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,0]=2 311 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,0]=3 312 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,0]=3 313 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,0]=2 314 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|0,0,1]=3 315 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,0,2]=4 317 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,0,2]=4 318 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,0]=3 320 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,1]=4 324 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,1]=4 325 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 326 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,1]=4 329 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,1]=4 330 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,1]=4 331 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 332 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 333 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,1]=3 334 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 335 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 336 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 337 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,0]=3 338 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,0]=3 339 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,0]=3 340 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,0]=3 341 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,1]=4 344 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,1]=3 345 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 346 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,1,1]=4 347 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,0]=3 348 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,1]=4 353 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,1]=4 359 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|1,0,1]=4 360 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|0,0,1]=3 363 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|0,0,1]=3 364 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|2,0,0]=4 365 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 366 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 367 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 368 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|0,1,1]=4 369 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|0,1,1]=4 370 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|0,0,0]=2 371 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|0,1,0]=3 372 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,1]=3 374 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|0,1,1]=4 377 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|2,0,0]=4 378 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|2,0,0]=4 379 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|1,0,0]=3 380 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|0,0,0]=2 381 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|0,0,2]=4 382 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|1,0,0]=3 383 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|2,0,0]=4 384 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|2,0,0]=4 385 B4R0.2 ClC=CCCl CNP0530301.0 [2,0,0,0,0,0|2,0,0]=4 386 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|2,0,0]=4 387 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|2,0,0]=4 389 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,1,0,0,0,0|0,0,2]=4 393 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|0,0,1]=3 394 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|0,1,1]=4 395 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|2,0,0]=4 403 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|2,0,0]=4 411 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|2,0,0]=4 412 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|2,0,0]=4 419 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|0,0,2]=4 424 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,1]=4 427 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|0,0,1]=3 428 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|0,0,1]=3 429 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|0,0,1]=3 430 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|1,0,1]=4 431 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,1]=3 438 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,1,1]=4 439 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,0]=3 441 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,0]=3 442 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|0,1,1]=4 447 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|2,0,0]=4 449 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|2,0,0]=4 452 B6R0.4 O=S(=O)OCCO CNP0082071.0 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [1,1,0,0,0,0|1,0,1]=4 455 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.6 C=CC=CCCC CNP0526826.0 [1,1,0,0,0,0|1,0,0]=3 458 B6R0.6 C=CCCCCC CNP0226691.0 [1,1,0,0,0,0|1,0,1]=4 459 B6R0.6 C=CCCCCO CNP0162421.0 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.6 C=CCOCCO CNP0248950.0 [1,1,0,0,0,0|0,0,1]=3 461 B6R0.6 C=CCSCCC CNP0150756.0 [1,1,0,0,0,0|0,1,1]=4 462 B6R0.6 C=COCCCC CNP0077236.0 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.6 CC=CC=CCC CNP0608489.0 [1,1,0,0,0,0|1,0,0]=3 465 B6R0.6 CC=CC=CCO CNP0292375.0 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|1,0,1]=4 468 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|0,1,1]=4 469 B6R0.6 CC=COC=CC CNP0612224.0 [1,1,0,0,0,0|0,0,2]=4 470 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|0,1,1]=4 471 B6R0.6 CC=CSSCC CNP0418756.0 [1,1,0,0,0,0|0,1,1]=4 472 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|1,0,0]=3 476 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|0,0,2]=4 480 B6R0.9 C=CC(OC)OC CNP0324949.0 [1,1,0,0,0,0|0,0,2]=4 481 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|0,0,2]=4 482 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|0,0,1]=3 483 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|0,0,2]=4 485 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|0,0,2]=4 495 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,2,0,0,0,0|0,0,0]=2 496 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,2,0,0,0,0|0,0,0]=2 497 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,2,0,0,0,0|0,0,0]=2 498 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|0,0,1]=3 499 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,2,0,0,0,0|0,0,1]=3 500 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|0,0,1]=3 501 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,2,0,0,0,0|0,0,2]=4 502 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,2,0,0,0,0|0,0,2]=4 503 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,2,0,0,0,0|0,0,2]=4 504 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,2,0,0,0,0|0,0,2]=4 505 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,2,0,0,0,0|0,0,2]=4 506 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,2,0,0,0,0|0,0,2]=4 507 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,2,0,0,0,0|0,0,2]=4 508 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,2,0,0,0,0|1,0,0]=3 509 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,2,0,0,0,0|0,0,2]=4 510 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|0,0,2]=4 511 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,2,0,0,0,0|0,0,2]=4 515 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.24 CC(C)(C)OC(=O)NN CNP0500094.0 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,2,0,0,0,0|0,0,2]=4 518 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,2,0,0,0,0|0,0,0]=2 519 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,2,0,0,0,0|0,0,1]=3 520 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.1 C=CCS(=S)OCCC CNP0529420.0 [0,2,0,0,0,0|1,1,0]=4 522 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,2,0,0,0,0|1,0,0]=3 523 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,2,0,0,0,0|0,0,2]=4 524 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|0,0,2]=4 525 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,2,0,0,0,0|0,0,2]=4 526 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,2,0,0,0,0|0,0,1]=3 527 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|0,0,2]=4 528 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|0,0,2]=4 529 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|0,0,0]=2 533 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,2,0,0,0,0|0,0,0]=2 535 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,2,0,0,0,0|0,0,0]=2 536 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|0,0,1]=3 537 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|0,0,1]=3 538 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|0,0,1]=3 539 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|0,0,2]=4 540 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|0,0,2]=4 541 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|0,0,2]=4 542 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|0,0,2]=4 543 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|0,0,2]=4 544 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,2,0,0,0,0|0,0,2]=4 545 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,2,0,0,0,0|1,0,0]=3 546 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,2,0,0,0,0|1,0,0]=3 547 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,2,0,0,0,0|0,0,0]=2 548 B8R0.6 C=CCCCC(=C)C=C CNP0546296.0 [0,2,0,0,0,0|2,0,0]=4 549 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|0,0,2]=4 550 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,2,0,0,0,0|1,0,0]=3 551 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,2,0,0,0,0|0,0,0]=2 552 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|0,0,2]=4 555 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,0,1]=4 556 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|2,0,0]=4 558 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,2,0,0,0,0|1,0,1]=4 560 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,2,0,0,0,0|0,0,2]=4 561 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,2,0,0,0,0|1,0,1]=4 563 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,2,0,0,0,0|1,0,1]=4 564 B8R0.14 CCOC(=O)C(Br)(Br)Br CNP0194648.0 [0,2,0,0,0,0|1,0,1]=4 565 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,2,0,0,0,0|0,0,2]=4 566 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|1,0,1]=4 568 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|2,0,0]=4 569 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|2,0,0]=4 570 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|1,1,0]=4 571 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|1,0,1]=4 572 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|1,0,1]=4 573 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|0,0,1]=3 574 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,1,0,0|1,0,1]=4 575 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,1,0,0|1,0,1]=4 576 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,1]=4 578 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,1]=3 579 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|0,1,1]=4 580 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,0]=3 581 B6R1.2 S=C1NCCO1 CNP0275785.0 [1,0,0,1,0,0|1,1,0]=4 582 B6R1.2 SC1=NCCO1 CNP0580429.0 [1,0,0,1,0,0|1,1,0]=4 583 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,1]=3 584 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|1,0,1]=4 585 B6R1.8 O=C1C=C1CO CNP0214079.0 [1,0,0,1,0,0|2,0,0]=4 586 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,1,0,0|1,0,0]=3 587 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,1]=4 588 B6R1.1 C1=CCNC=C1 CNP0081217.0 [1,0,0,1,0,0|1,0,1]=4 589 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|1,0,1]=4 590 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,1,0,0|0,0,1]=3 591 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [1,0,0,1,0,0|1,0,1]=4 592 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,1]=4 593 B6R1.1 C1=CNCN=C1 CNP0472134.0 [1,0,0,1,0,0|2,0,0]=4 594 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,1]=3 595 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|1,1,0]=4 596 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|1,0,1]=4 597 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [1,0,0,1,0,0|1,0,0]=3 598 B8R1.1 C=CC1=NC(=S)CO1 CNP0300088.0 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.1 C=CC1OCC(O1)C CNP0506868.0 [0,1,0,1,0,0|0,0,2]=4 600 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,1,0,0|0,0,1]=3 602 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,1,0,0|0,0,2]=4 603 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,1,0,0|0,1,1]=4 604 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,1,0,0|0,1,1]=4 605 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,1,0,0|0,0,1]=3 606 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,1,0,0|1,1,0]=4 608 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|0,0,1]=3 609 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|0,0,0]=2 612 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|0,0,2]=4 613 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|0,0,2]=4 614 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,1,0,0|0,1,1]=4 616 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|0,0,2]=4 617 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|0,0,2]=4 619 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|0,0,2]=4 620 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|0,0,2]=4 621 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|0,0,0]=2 627 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,1]=4 630 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|0,0,2]=4 632 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,0]=2 633 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,2]=4 634 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,0]=2 635 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|0,0,0]=2 638 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,1,0,1,0,0|0,0,1]=3 642 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|0,0,0]=2 648 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|0,0,0]=2 650 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,1,0,1,0,0|0,0,0]=2 652 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|0,0,2]=4 654 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|0,0,2]=4 655 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|0,0,2]=4 657 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|0,0,2]=4 658 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|0,0,2]=4 659 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,1,0,0|0,0,0]=2 661 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|0,0,2]=4 662 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,1,0,0|0,0,0]=2 664 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|0,0,1]=3 665 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,1,0,1,0,0|0,0,0]=2 668 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,1,0,0|1,0,1]=4 670 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|0,0,2]=4 674 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,1,0,1,0,0|0,0,1]=3 676 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,2]=4 679 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,1,0,1,0,0|1,0,1]=4 680 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,1,0,1,0,0|0,0,2]=4 685 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|0,0,2]=4 687 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|0,0,0]=2 689 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|0,0,0]=2 690 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|0,0,2]=4 694 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|0,0,2]=4 695 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|0,0,2]=4 696 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|0,0,2]=4 698 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,1,0,0|1,1,0]=4 706 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,1,0,1,0,0|0,1,0]=3 707 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,1,0,1,0,0|0,1,0]=3 708 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|0,0,2]=4 714 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|0,0,2]=4