0 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,0,0,0,0,0|0,0,2]=2 4 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,0,0,0,0,0|0,1,1]=2 5 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,0,0,0,0,0|0,1,0]=1 6 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,0,0,0,0,0|1,1,1]=3 10 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,0,0,0,0,0|2,1,1]=4 13 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,0,0,0,0,0|2,1,0]=3 23 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.1 O=C1C=CC(=NO)N1 CNP0272476.0 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,0,0,0|1,0,3]=4 26 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,0,0|1,1,0]=3 30 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,0,0|1,1,1]=4 33 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,0,0,0,0,0|1,1,1]=4 37 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,0,0|0,0,0]=1 39 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,0,0|0,1,0]=2 40 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,0,0|0,0,2]=3 44 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,0,0|0,1,2]=4 45 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,0,0|0,1,1]=3 46 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,0,0|0,2,1]=4 47 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,0,0,0,0,0|0,0,1]=2 48 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,0,0,0|0,0,1]=2 55 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,0,0,0|0,1,1]=3 56 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,0,0,0|0,0,1]=2 57 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,0,0,0,0,0|1,0,1]=3 59 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,0,0,0,0,0|1,1,1]=4 60 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,0,0,0|0,0,1]=2 69 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,0,0,0,0,0|0,0,3]=4 70 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,0,0,0|1,0,2]=4 71 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,0,0,0|0,0,3]=4 72 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,0,0,0|0,0,3]=4 73 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,0,0,0|1,0,0]=2 76 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,1,0,0,0,0|0,0,1]=2 80 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.7 CN1C=NC(=C1)CC=O CNP0083533.0 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,1,0,0,0,0|1,0,1]=3 84 B9R1.7 ON=CC1=CC=C(O1)Br CNP0165465.0 [0,1,0,0,0,0|1,0,1]=3 85 B9R1.21 C=CC1=CC=C(N1)C=O CNP0303853.0 [0,1,0,0,0,0|1,0,1]=3 86 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,1,0,0,0,0|0,0,0]=1 89 B9R1.21 N#CC1=CC=C(S1)C=O CNP0079371.0 [0,1,0,0,0,0|0,1,1]=3 90 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,1,0,0,0,0|0,0,0]=1 93 B9R1.21 O=CC1=CC=C(S1)C=O CNP0079373.0 [0,1,0,0,0,0|0,1,1]=3 94 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,1,0,0,0,0|0,0,2]=3 95 B9R1.22 C=C1C=C(OC1C=O)O CNP0484553.0 [0,1,0,0,0,0|1,0,1]=3 96 B9R1.22 C=CC1=C(N=C(S1)C)C CNP0002831.0 [0,1,0,0,0,0|2,1,0]=4 97 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.22 O=C1C=C(C(=CBr)O1)Br CNP0402367.0 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,0,0,0|0,1,0]=2 104 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.35 CC1=CC(=NO1)C(=O)N CNP0222722.0 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,0,0,0|0,0,0]=1 111 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.35 CC1=NN(C=C1)C(=O)N CNP0055854.0 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,1,0,0,0,0|1,1,0]=3 120 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 O=[N+]([O-])C1=CC=C(O1)Br CNP0568973.0 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.125 C=CC1(C=CC(=O)O1)C CNP0559463.0 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.125 CC1(CC=C(O1)O)C=O CNP0546690.0 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.125 CC1=CCC(O1)(C)C=O CNP0561487.0 [0,1,0,0,0,0|0,0,2]=3 131 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,0,1,0,0,0|1,0,2]=4 133 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,0,1,0,0,0|1,0,2]=4 134 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,0,1,0,0,0|2,0,1]=4 136 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,0,1,0,0,0|2,0,1]=4 138 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,0,1,0,0,0|1,0,1]=3 139 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,0,1,0,0,0|2,0,0]=3 140 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,0,1,0,0,0|2,0,1]=4 141 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,0,0,0,0,1|1,0,0]=2 146 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,0,0,0,0,1|1,0,2]=4 147 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,0,0,0,0,1|2,0,0]=3 148 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,0,0,0,0,1|1,0,2]=4 150 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,0,0,0,0,1|1,0,0]=2 157 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,0,0,0,0,1|2,0,0]=3 161 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,0,0,0,0,1|2,0,1]=4 162 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,0,0,0,0,1|1,0,0]=2 163 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,0,0,0,0,1|2,0,1]=4 164 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,0,0,0,0,1|2,0,1]=4 165 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,0,0,0,0,1|2,0,0]=3 166 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,0,0,0,0,1|2,0,1]=4 167 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,0,0,0,0,1|2,0,0]=3 168 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,0,0,0,0,1|2,0,1]=4 169 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,0,0,0,0,1|2,0,1]=4 170 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,0,0,0,0,1|2,0,1]=4 171 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,0,0,0,0,1|2,0,1]=4 172 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,0,0,0,0,1|2,0,1]=4 173 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,0,0,0,0,1|2,0,0]=3 179 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,1,0,0,0|0,0,1]=3 182 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|1,0,0]=3 183 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,0,1,0,0,0|1,0,1]=4 184 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|1,0,1]=4 185 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,0,1,0,0,0|1,0,1]=4 186 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,1,0,0,0|1,0,1]=4 187 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,0,1,0,0,0|1,0,1]=4 189 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,1,0,0,0|0,0,1]=3 190 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,1,0,0,0|1,0,1]=4 191 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,1,0,0,0|1,0,1]=4 192 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|1,0,1]=4 193 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,1,0,0,0|0,0,1]=3 194 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|1,0,1]=4 195 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,1,0,0,0|0,0,1]=3 196 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,1,0,0,0|1,0,0]=3 198 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,1,0,0,0|1,0,1]=4 199 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,1,0,0,0|1,0,1]=4 200 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|1,0,0]=3 201 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|0,0,0]=2 202 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|1,0,1]=4 203 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|0,0,2]=4 204 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,1,0,0,0|0,0,2]=4 205 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|1,0,1]=4 206 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,1,0,0,0|0,0,2]=4 208 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,1,0,0,0|0,0,2]=4 209 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,2]=4 210 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,0,1,0,0,0|0,0,2]=4 211 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [2,0,0,0,0,0|1,0,0]=3 212 B6R1.2 C=C1C=CCC1 CNP0269204.0 [2,0,0,0,0,0|1,0,1]=4 213 B6R1.2 CC1=CC=CN1 CNP0003130.0 [2,0,0,0,0,0|1,0,0]=3 214 B6R1.2 CC1=CC=CO1 CNP0204821.0 [2,0,0,0,0,0|0,0,0]=2 215 B6R1.2 CC1=CC=CS1 CNP0308280.0 [2,0,0,0,0,0|0,1,0]=3 216 B6R1.2 CC1=CN=CN1 CNP0175437.0 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.2 CC1=CN=CS1 CNP0003129.0 [2,0,0,0,0,0|1,1,0]=4 218 B6R1.2 CC1=CNC=C1 CNP0578230.0 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 CC1=CNC=N1 CNP0484047.0 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 CC1=COC=C1 CNP0401605.0 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.2 CC1=CSC=C1 CNP0153726.0 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 CC1=CSC=N1 CNP0121199.0 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 CC1=NC=CS1 CNP0611676.0 [2,0,0,0,0,0|1,1,0]=4 224 B6R1.2 CC1=NN=CO1 CNP0610339.0 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 CN1C=CC=C1 CNP0084622.0 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.2 O=C1C=CCC1 CNP0122561.0 [2,0,0,0,0,0|1,0,1]=4 227 B6R1.2 O=C1C=CCO1 CNP0253714.0 [2,0,0,0,0,0|0,0,1]=3 228 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [2,0,0,0,0,0|2,0,0]=4 229 B6R1.2 O=C1C=CNO1 CNP0275546.0 [2,0,0,0,0,0|1,0,0]=3 230 B6R1.2 O=C1C=COO1 CNP0482120.0 [2,0,0,0,0,0|1,0,0]=3 231 B6R1.2 O=C1CC=CO1 CNP0494071.0 [2,0,0,0,0,0|0,0,1]=3 232 B6R1.2 O=C1OC=CO1 CNP0585701.0 [2,0,0,0,0,0|1,0,0]=3 233 B6R1.2 OC1=CC=CO1 CNP0600093.0 [2,0,0,0,0,0|0,0,1]=3 234 B6R1.2 SC1=CC=CS1 CNP0113015.0 [2,0,0,0,0,0|0,2,0]=4 235 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|1,0,1]=4 236 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,1,0,0,0|1,0,0]=3 237 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,1,1,0,0,0|0,0,2]=4 238 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,1,0,0,0|1,0,0]=3 239 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,1,1,0,0,0|0,0,2]=4 240 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,1,1,0,0,0|0,0,2]=4 241 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,1,1,0,0,0|0,0,2]=4 242 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,1,1,0,0,0|1,0,1]=4 243 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,1,1,0,0,0|1,0,1]=4 244 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|2,0,0]=4 245 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,1,0,0,0|1,0,1]=4 246 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,1,0,0,0|1,0,1]=4 247 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,1,0,0,0|2,0,0]=4 248 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,1,1,0,0,0|1,0,0]=3 249 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,1,1,0,0,0|0,0,2]=4 250 B8R0.28 NC(=O)NC=CC(=O)O CNP0395039.0 [0,1,1,0,0,0|2,0,0]=4 251 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,1,1,0,0,0|2,0,0]=4 253 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [0,1,1,0,0,0|2,0,0]=4 254 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,1,0,0,0,0|0,0,0]=2 257 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,1,0,0,0,0|0,1,0]=3 258 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,1,0,0,0,0|1,1,0]=4 261 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [1,1,0,0,0,0|0,0,2]=4 262 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,1,0,0,0,0|1,0,1]=4 264 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,1,0,0,0,0|0,0,2]=4 265 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,1,0,0,0,0|0,1,1]=4 266 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,1,0,0,0,0|0,0,0]=2 268 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,1,0,0,0,0|0,0,0]=2 274 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [1,1,0,0,0,0|1,1,0]=4 282 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,1,0,0,0,0|0,0,2]=4 286 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,1,0,0,0,0|0,1,1]=4 287 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [1,1,0,0,0,0|0,0,0]=2 288 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [1,1,0,0,0,0|1,0,1]=4 291 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [1,1,0,0,0,0|0,1,1]=4 292 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,1,0,0,0,0|0,1,0]=3 293 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.52 CC1(CC=CO1)C=O CNP0595974.0 [1,1,0,0,0,0|0,0,2]=4 295 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [1,1,0,0,0,0|1,0,1]=4 297 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [1,1,0,0,0,0|0,0,1]=3 298 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [1,1,0,0,0,0|0,0,1]=3 299 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,1,0,0,0,0|1,0,1]=4 300 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,1,0,0,0,0|0,0,1]=3 303 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,1,0,0,0,0|0,0,1]=3 304 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [1,1,0,0,0,0|1,0,1]=4 305 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [1,1,0,0,0,0|1,0,1]=4 306 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [1,1,0,0,0,0|0,0,1]=3 307 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [1,1,0,0,0,0|1,0,1]=4 308 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [1,1,0,0,0,0|0,0,1]=3 309 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [1,1,0,0,0,0|0,0,1]=3 310 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,1,0,0,0,0|0,0,2]=4 311 B8R1.18 O=C1C=C(C(=O)N1)Br CNP0104393.0 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [1,1,0,0,0,0|1,0,1]=4 314 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [1,1,0,0,0,0|0,0,1]=3 317 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [0,1,0,0,0,1|1,0,1]=4 319 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,1,0,0,0,1|1,0,0]=3 320 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [0,1,0,0,0,1|1,0,1]=4 323 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [0,1,0,0,0,1|1,0,0]=3 327 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [0,1,0,0,0,1|1,0,0]=3 328 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [0,1,0,0,0,1|1,0,0]=3 329 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [0,1,0,0,0,1|1,1,0]=4 330 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [0,1,0,0,0,1|1,0,1]=4 331 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,1|1,0,0]=3 337 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,1|1,0,0]=3 341 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,0,0,1|1,0,0]=3 342 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,1|1,0,0]=3 343 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,1|1,0,0]=3 345 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,1|1,0,0]=3 346 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,1|1,0,0]=3 347 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,1|1,0,0]=3 348 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,0,1|1,0,0]=3 363 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,1,0,0,0,1|1,0,0]=3 367 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,1,0,0,0,1|1,0,0]=3 368 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,1,0,0,0,1|1,0,0]=3 376 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.8 C=CC1=CC(=CC(=C1)C)C CNP0039391.0 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.8 CC1=CC(=CC(=C1)C=O)C CNP0196447.0 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.8 CC1=CC(=CC(=C1)C=O)O CNP0067641.0 [0,1,0,0,0,1|1,0,0]=3 380 B10R1.8 CC1=CC(=O)C=C(O1)CO CNP0356793.0 [0,1,0,0,0,1|0,0,2]=4 381 B10R1.8 O=CC1=CC(=CC(=C1)Cl)Cl CNP0440524.0 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.8 O=CC1=CC(=CC(=C1)O)O CNP0573224.0 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.10 C=CCC1=CN=CC(=N1)C CNP0002576.0 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [0,1,0,0,0,1|1,0,1]=4 385 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,1,0,0,0,1|1,0,0]=3 390 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,0,1|1,0,0]=3 394 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,1,0,0,0,1|1,0,0]=3 395 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,0,1|1,0,0]=3 397 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,1,0,0,0,1|1,0,0]=3 398 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,1,0,0,0,1|1,0,0]=3 399 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,1,0,0,0,1|1,0,0]=3 400 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,1,0,0,0,1|1,0,0]=3 401 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,1,0,0,0,1|1,0,0]=3 402 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,1,0,0,0,1|1,0,0]=3 403 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,1,0,0,0,1|1,0,0]=3 405 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [0,1,0,0,0,1|1,0,0]=3 426 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [0,1,0,0,0,1|1,0,0]=3 427 B10R1.172 N#CC1=CC=CC(=N1)C=O CNP0065484.0 [0,1,0,0,0,1|1,0,1]=4 428 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [0,1,0,0,0,1|1,0,1]=4 429 B10R1.14 CC(=NO)C1=CC=C(S1)C CNP0326252.0 [0,2,0,0,0,0|0,1,1]=4 430 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,2,0,0,0,0|0,1,0]=3 431 B10R1.14 CCC(=O)C1=NC(=CS1)C CNP0322098.0 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.14 COC(=O)C1=CC=C(N1)Br CNP0436786.0 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.14 COC(=O)N1C=CC(=N1)C CNP0037180.0 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,2,0,0,0,0|0,0,0]=2 436 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,2,0,0,0,0|1,0,1]=4 437 B10R1.54 O=C(Cl)C[C@H]1C=CC(=O)O1 CNP0017575.1 [0,2,0,0,0,0|1,0,1]=4 438 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.54 O=C(O)CC1=CCC(=O)O1 CNP0288626.0 [0,2,0,0,0,0|1,0,1]=4 440 B10R1.54 O=C(O)CN1C=CC(=O)O1 CNP0301133.0 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 CNP0273929.2 [0,2,0,0,0,0|1,0,1]=4 442 B10R1.54 O=C(O)C[C@H]1C=CC(=O)O1 CNP0273929.1 [0,2,0,0,0,0|1,0,1]=4 443 B10R1.96 CC#CC1=CC=C(S1)C=O CNP0344992.0 [0,2,0,0,0,0|0,1,0]=3 444 B10R1.96 COCC1=CC=C(N1)C=O CNP0285722.0 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.96 COCC1=CC=C(O1)C=O CNP0331819.0 [0,2,0,0,0,0|0,0,0]=2 446 B10R1.96 COCC1=CC=C(O1)CO CNP0227446.0 [0,2,0,0,0,0|0,0,2]=4 447 B10R1.96 OCC1=CC=C(O1)C=NO CNP0170304.0 [0,2,0,0,0,0|0,0,1]=3 448 B10R1.130 CC1=CC(=O)OC1=CC=O CNP0123742.0 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.130 NC1=CC(=O)OC1=CC=O CNP0285411.0 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.31 CC(=O)C1=CC=C(O1)C=O CNP0609170.0 [0,2,0,0,0,0|0,0,0]=2 451 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,2,0,0,0,0|0,0,0]=2 452 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,2,0,0,0,0|0,0,0]=2 454 B10R1.31 NCC1=NC(=CS1)C(=O)O CNP0195587.0 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.31 O=C(O)C1=CC=C(O1)CO CNP0283460.0 [0,2,0,0,0,0|0,0,0]=2 456 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.31 O=CC1=CC=C(N1)C(=O)O CNP0257574.0 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.35 COC1=CC(=C(O1)C=O)C CNP0484703.0 [0,2,0,0,0,0|0,0,0]=2 459 B10R1.34 CC=C1OC(=C(C1=O)O)C CNP0081746.0 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,2,0,0,0,0|1,1,0]=4 462 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,2,0,0,0,0|2,0,0]=4 464 B10R1.59 CC(=O)N1N=C(C=C1C)C CNP0131376.0 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.59 CC1=NN(C(=C1)C)C(=O)N CNP0595447.0 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.59 O=C(O)C1=C(C=C(N1)Br)Br CNP0432593.0 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.58 NC(=O)C1=CC(=C(N1)Br)Br CNP0164192.0 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.58 NC(=O)C1=CC(=C(O1)Br)Br CNP0331076.0 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br CNP0157165.0 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.58 O=C(O)C1=CC(=C(O1)Br)Br CNP0394723.0 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.470 O=C1C=CC(O1)(O)C(=O)O CNP0527399.0 [0,2,0,0,0,0|1,0,1]=4 474 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,0,1,1,0,0|1,0,1]=4 475 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,0,1,1,0,0|1,0,1]=4 476 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,0,1,1,0,0|1,0,0]=3 477 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,0,1,1,0,0|2,0,0]=4 478 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [0,0,1,1,0,0|1,0,1]=4 479 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [0,0,1,1,0,0|2,0,0]=4 480 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,0,1,1,0,0|2,0,0]=4 481 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [0,0,1,1,0,0|2,0,0]=4 482 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [0,0,1,1,0,0|2,0,0]=4 483 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [0,0,1,1,0,0|1,0,0]=3 484 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [0,0,1,1,0,0|1,1,0]=4 485 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [0,0,1,1,0,0|2,0,0]=4 486 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [0,0,1,1,0,0|1,0,0]=3 487 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,0,1,1,0,0|2,0,0]=4 488 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [0,0,1,1,0,0|2,0,0]=4 489 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,0,1,1,0,0|2,0,0]=4 490 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [0,0,1,1,0,0|2,0,0]=4 491 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [0,0,1,1,0,0|2,0,0]=4 492 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [0,0,1,1,0,0|2,0,0]=4 493 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,0,1,1,0,0|1,0,1]=4 494 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [0,0,1,1,0,0|2,0,0]=4 495 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [0,0,1,1,0,0|2,0,0]=4 496 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [0,0,1,1,0,0|2,0,0]=4 497 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [0,0,1,1,0,0|2,0,0]=4 498 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [0,0,1,1,0,0|2,0,0]=4 499 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [0,0,1,1,0,0|2,0,0]=4 500 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,1,1,0,0|2,0,0]=4 501 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,1,1,0,0|1,0,1]=4 502 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,1,1,0,0|2,0,0]=4 503 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,1,1,0,0|1,0,1]=4 504 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,0,1,1,0,0|0,0,2]=4 505 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,0,1,1,0,0|0,0,2]=4 506 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,0,1,1,0,0|1,0,1]=4 507 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,0,1,1,0,0|1,0,1]=4 508 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,1,1,0,0|0,0,2]=4 509 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,0,1,1,0,0|1,0,0]=3 510 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,0,1,1,0,0|1,0,0]=3 511 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,0,1,1,0,0|1,0,1]=4 512 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,0,1,1,0,0|1,0,1]=4 513 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,0,1,1,0,0|0,0,2]=4 514 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,0,1,1,0,0|2,0,0]=4 515 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,0,1,1,0,0|1,0,1]=4 516 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,0,1,1,0,0|0,0,2]=4 517 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,0,1,0|0,0,2]=4