0 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.1 CCC#CC=CCO CNP0417978.0 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,0,0,0,0,0|0,0,4]=4 12 B7R0.1 CCC=CCCCC CNP0084702.0 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 CCC=CCCCO CNP0003503.0 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,0,0,0,0|0,0,4]=4 16 B7R0.1 CCCC=CCCC CNP0541880.0 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.1 CCCC=CCCO CNP0287313.0 [0,0,0,0,0,0|0,0,2]=2 18 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,0,0,0,0|0,0,4]=4 19 B7R0.1 CCCCC=CCO CNP0191159.0 [0,0,0,0,0,0|0,0,2]=2 20 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|0,0,4]=4 21 B7R0.1 CCCCNCCO CNP0185911.0 [0,0,0,0,0,0|1,0,3]=4 22 B7R0.1 CCCCOCCO CNP0080154.0 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.1 N#CC=CC=CC#N CNP0200828.0 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.6 CC#CC=CCO CNP0610509.0 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.6 CC#CSC=CC CNP0514607.0 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,0,0,0,0|0,0,0]=1 33 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 CC=CSSSC CNP0265306.0 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|0,0,3]=4 42 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,0,0,0,0|0,0,2]=3 43 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,0,0,0,0|0,0,2]=3 44 B6R0.6 CCC=CCC#N CNP0106706.0 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|0,0,2]=3 46 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|0,0,2]=3 47 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|0,0,1]=2 48 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,0,0,0,0,0|1,1,1]=4 49 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|0,0,3]=4 50 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|0,0,1]=2 52 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|0,0,2]=3 54 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|0,0,3]=4 56 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|1,0,2]=4 59 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [0,1,0,0,0,0|0,0,3]=4 61 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,1,0,0,0,0|0,0,2]=3 62 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,1,0,0,0,0|0,0,2]=3 63 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,1,0,0,0,0|0,0,0]=1 64 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,1,0,0,0,0|0,0,0]=1 65 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,1,0,0,0,0|0,0,3]=4 66 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,1,0,0,0,0|0,0,2]=3 68 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,1,0,0,0,0|0,0,0]=1 70 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,1,0,0,0,0|0,0,3]=4 73 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.4 OCC=C=CC#CCCl CNP0377743.0 [0,1,0,0,0,0|0,0,3]=4 76 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|0,0,3]=4 83 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,1,0,0,0,0|0,0,0]=1 86 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,0,0,0,0|0,0,2]=3 89 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,0,0,0,0|0,0,1]=2 90 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,0,0,0,0|0,0,3]=4 91 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|0,0,3]=4 92 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,0,0,1,0,0|1,0,2]=4 95 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,0,1,0,0|1,0,1]=3 97 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,0,0,1,0,0|0,0,2]=3 111 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,0,0,1,0,0|0,0,2]=3 112 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,1,0,0|0,0,0]=1 113 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,0,0,1,0,0|1,0,1]=3 114 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,0,0,1,0,0|0,0,2]=3 116 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,1,0,0|0,0,2]=3 117 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,0,0,1,0,0|0,0,2]=3 118 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,0,0,1,0,0|0,0,2]=3 119 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,0,0,1,0,0|0,1,2]=4 120 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,0,0,1,0,0|1,1,1]=4 121 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,0,0,1,0,0|1,1,1]=4 122 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,0,0,1,0,0|0,0,2]=3 123 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,0,1,0,0|1,0,2]=4 125 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,0,1,0,0|1,0,2]=4 126 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,0,1,0,0|0,0,2]=3 129 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,0,1,0,0|0,1,2]=4 130 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.5 ClC1C=CC=CC1Cl CNP0452239.0 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,0,0,1,0,0|1,0,2]=4 136 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,0,0,1,0,0|1,0,0]=2 141 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,0,0,1,0,0|1,0,0]=2 142 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,0,1,0,0|0,0,2]=3 145 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,1,0,0|0,0,2]=3 147 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,1,0,0|0,1,2]=4 148 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,0,0,1,0,0|1,0,2]=4 154 B8R1.49 C1=CCC=CCC=C1 CNP0540029.0 [0,0,0,1,0,0|1,0,1]=3 155 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|1,0,2]=4 157 B5R0.2 C=CC=CC=C CNP0612137.0 [2,0,0,0,0,0|0,0,2]=4 158 B5R0.2 C=CC=CC=O CNP0022566.0 [2,0,0,0,0,0|0,0,2]=4 159 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|0,0,0]=2 160 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|0,0,2]=4 161 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,2]=4 162 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|0,0,2]=4 163 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.2 C=CSSCC CNP0003136.0 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.2 CC=C=CCO CNP0426440.0 [2,0,0,0,0,0|0,0,1]=3 166 B5R0.2 CC=C=COC CNP0519318.0 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|0,0,0]=2 168 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 169 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,1]=3 170 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,0,1]=3 171 B5R0.2 CC=CSSC CNP0214071.0 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.2 CCC#CCO CNP0076027.0 [2,0,0,0,0,0|0,0,2]=4 173 B5R0.2 CCC=CC#N CNP0080058.0 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,1]=3 175 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,0,0]=2 176 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|1,0,0]=3 177 B5R0.2 CCC=CSO CNP0458289.0 [2,0,0,0,0,0|1,0,0]=3 178 B5R0.2 CCC=NNC CNP0543863.0 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,1]=3 180 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,2]=4 182 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,1]=4 184 B5R0.2 COC=COC CNP0416791.0 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.2 CSC=CSC CNP0075985.0 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.2 O=CC=CCO CNP0112016.0 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.2 OCC=CCO CNP0296138.0 [2,0,0,0,0,0|1,0,0]=3 188 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,1,0,0,0,0|0,0,2]=4 189 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|0,0,2]=4 190 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,1,0,0,0,0|0,0,1]=3 191 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|0,0,1]=3 193 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|0,0,2]=4 194 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.3 COCC=C(C)CO CNP0311126.0 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,1,0,0,0,0|0,0,1]=3 199 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,1,0,0,0,0|0,0,1]=3 200 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,1,0,0,0,0|0,0,1]=3 201 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,1,0,0,0,0|0,0,1]=3 202 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,1,0,0,0,0|0,0,1]=3 203 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,1,0,0,0,0|0,0,1]=3 204 B7R0.4 CC=CSSC(C)C CNP0589450.0 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|0,0,1]=3 206 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|0,0,1]=3 207 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|0,0,1]=3 208 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|0,0,1]=3 209 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.4 CSSC=CC(C)C CNP0002674.0 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,1,0,0,0,0|0,0,2]=4 212 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,1,0,0,0,0|0,0,2]=4 214 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,1,0,0,0,0|0,0,1]=3 215 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|0,0,2]=4 217 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|0,0,2]=4 218 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|0,0,2]=4 219 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,1,0,0,0,0|2,0,0]=4 222 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [0,2,0,0,0,0|0,0,2]=4 226 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.18 CSC=CC(=O)NCCO CNP0211261.0 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.34 CCC=C(C)C=C(C)CO CNP0110428.0 [0,2,0,0,0,0|0,0,0]=2 229 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,2,0,0,0,0|0,0,2]=4 234 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,2,0,0,0,0|0,0,2]=4 235 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,2,0,0,0,0|0,0,2]=4 236 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,2,0,0,0,0|0,0,1]=3 237 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|0,0,2]=4 238 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|0,0,2]=4 239 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,2,0,0,0,0|1,0,1]=4 240 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,2,0,0,0,0|0,0,1]=3 241 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [0,2,0,0,0,0|0,0,0]=2 242 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,2,0,0,0,0|0,0,2]=4 243 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [0,2,0,0,0,0|0,0,0]=2 244 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,2,0,0,0,0|0,0,2]=4 245 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,2,0,0,0,0|0,0,2]=4 246 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,2,0,0,0,0|0,0,0]=2 247 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,2,0,0,0,0|0,0,2]=4 248 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,2,0,0,0,0|0,0,2]=4 249 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,2,0,0,0,0|0,0,0]=2 250 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [0,2,0,0,0,0|1,0,1]=4 251 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,2,0,0,0,0|0,0,1]=3 252 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [0,2,0,0,0,0|0,0,2]=4 254 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,1,0,0|0,0,2]=4 255 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,1,0,0|0,0,0]=2 256 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,1,0,0|0,1,0]=3 257 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|0,0,2]=4 258 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,1,0,0|1,1,0]=4 261 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,1,0,0|1,1,0]=4 272 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,1,0,0|0,0,2]=4 273 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,1,0,0|1,0,1]=4 274 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,1,0,0|0,0,0]=2 275 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,1,0,0|1,0,1]=4 276 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,1,0,0|0,0,2]=4 277 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|0,0,2]=4 278 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,1,0,0|0,1,0]=3 279 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|0,0,2]=4 280 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,1,0,0|0,1,0]=3 281 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [1,0,0,1,0,0|1,0,1]=4 282 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,1,0,0|0,0,2]=4 283 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|0,0,2]=4 285 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|0,0,2]=4 286 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,1,0,0|0,0,2]=4 288 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|0,0,2]=4 291 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,1,0,0|0,0,1]=3 293 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|0,0,1]=3 294 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|0,0,1]=3 295 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,1,0,0|1,0,1]=4 296 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,1,0,0|1,0,1]=4 297 B7R1.4 CC1=CN=CN1C CNP0283331.0 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [1,0,0,1,0,0|0,0,2]=4 301 B7R1.7 CC=CCN1CC1 CNP0584372.0 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [1,0,0,1,0,0|0,0,2]=4 303 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|0,0,0]=2 304 B9R1.2 CC1=CC(=NO)CCC1 CNP0170779.0 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,1,0,0|0,0,1]=3 309 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,1,0,0|0,0,2]=4 315 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,1,0,0|0,0,2]=4 316 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,1,0,1,0,0|0,0,2]=4 327 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,1,0,1,0,0|0,0,2]=4 330 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,1,0,1,0,0|0,0,2]=4 331 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,1,0,1,0,0|0,0,2]=4 334 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,1,0,1,0,0|0,0,2]=4 335 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,1,0,1,0,0|0,0,2]=4 336 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,1,0,0|0,0,1]=3 338 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,1,0,0|0,0,1]=3 339 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,1,0,0|0,0,1]=3 343 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,1,0,0|0,1,1]=4 344 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,1,0,0|0,0,1]=3 346 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,1,0,0|0,0,2]=4 349 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,1,0,0|0,0,2]=4 353 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,1,0,0|0,0,2]=4 355 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,1,0,0|0,0,2]=4 357 B9R1.22 COC1=CC(=O)O[C@H]1O CNP0399896.1 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.22 O=C1C=C(C(O1)O)CO CNP0131772.0 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.22 O=C1C=C([C@@H](O1)O)CO CNP0131772.1 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,1,0,1,0,0|0,0,2]=4 361 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.50 C[C@@H]1/C=C/C=C/C=C/C1 CNP0322489.1 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.50 C[C@@H]1/C=C\C=C/C=C\C1 CNP0322489.2 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,1,0,0|0,0,2]=4 365 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [0,1,0,1,0,0|0,0,2]=4 366 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,1,0,0|0,0,2]=4 367 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,1,0,0|0,0,2]=4 368 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,1,0,0|0,0,2]=4 369 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.69 OC1C=CC(=CC1O)Br CNP0083764.0 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.69 OC1C=CC(=CC1O)Cl CNP0158763.0 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [0,1,0,1,0,0|0,0,2]=4 377 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [0,1,0,1,0,0|0,0,2]=4 378 B9R1.14 O=CC1=C(C=CO1)CO CNP0587007.0 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,1,0,1,0,0|0,0,2]=4 380 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,1,0,1,0,0|1,0,1]=4 381 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,1,0,1,0,0|1,0,1]=4 383 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,1,0,1,0,0|0,0,2]=4 387 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,1,0,1,0,0|0,0,2]=4 388 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,1,0,1,0,0|0,0,2]=4 391 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,1,0,1,0,0|0,0,2]=4 392 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,1,0,0|0,0,2]=4 393 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,1,0,0|0,0,2]=4 394 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,1,0,0|0,0,2]=4 395 B9R1.3 C[C@H]1OC=C[C@H]([C@H]1O)O CNP0387564.1 [0,1,0,1,0,0|1,0,1]=4 396 B9R1.3 OC1C=CC=C(C1O)Br CNP0118456.0 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,1,0,0|0,0,1]=3 399 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,1,0,0|0,1,1]=4 400 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,1,0,1,0,0|0,0,2]=4 404 B9R1.21 CCC1=CN=C(S1)CC CNP0055349.0 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.21 CCC1=CSC(=N1)CC CNP0002533.0 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,1,0,1,0,0|1,0,0]=3 409 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,1,0,1,0,0|1,0,1]=4 410 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,1,0,1,0,0|0,0,2]=4 414 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,1,0,1,0,0|0,0,2]=4 416 B9R1.24 CCC1=CC=CC1(C)C CNP0109712.0 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.148 CC1(C=CC=CC=C1)C CNP0497867.0 [0,1,0,1,0,0|1,0,1]=4 418 B9R2.24 OC1C2C=CC1CC2 CNP0612200.0 [0,0,0,2,0,0|0,0,2]=4 419 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,2,0,0|1,0,1]=4 420 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,2,0,0|1,0,1]=4 421 B9R2.19 OC1C=CC2CC1C2 CNP0085871.0 [0,0,0,2,0,0|0,0,2]=4 422 B9R2.39 OC1CC2C=CC1C2 CNP0506410.0 [0,0,0,2,0,0|0,0,2]=4