0 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [0,0,0,0,0,0|0,0,4]=4 7 B11R1.166 CC(C)[C@@H]1C=C[C@H](CC1=O)C CNP0154586.1 [0,0,0,0,0,0|0,0,4]=4 8 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 CNP0331919.0 [0,0,0,0,0,0|0,0,4]=4 10 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C CNP0256270.1 [0,0,0,0,0,0|0,0,4]=4 11 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C CNP0256270.2 [0,0,0,0,0,0|0,0,4]=4 12 B11R1.166 CC1=CC(C(=C(C)C)CC1)O CNP0610425.0 [0,0,0,0,0,0|0,0,4]=4 13 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,0,0,0,0,0|0,0,0]=0 19 B11R1.166 CC1=CC[C@@H]([C@H](C1)O)C(C)C CNP0359399.1 [0,0,0,0,0,0|0,0,4]=4 20 B11R1.166 CC1=CC[C@H](C(=O)C1)C(C)C CNP0354398.1 [0,0,0,0,0,0|0,0,4]=4 21 B11R1.166 CC1=CC[C@H]([C@@H](C1)O)C(C)C CNP0359399.2 [0,0,0,0,0,0|0,0,4]=4 22 B11R1.166 CC1=CC[C@H]([C@H](C1)O)C(C)C CNP0359399.3 [0,0,0,0,0,0|0,0,4]=4 23 B11R1.166 CC1=C[C@@H](C(=C(C)C)CC1)O CNP0610425.1 [0,0,0,0,0,0|0,0,4]=4 24 B11R1.166 CC1=C[C@@H]([C@@H](CC1)C(C)C)O CNP0246159.3 [0,0,0,0,0,0|0,0,4]=4 25 B11R1.166 CC1=C[C@@H]([C@H](CC1)C(C)C)O CNP0246159.2 [0,0,0,0,0,0|0,0,4]=4 26 B11R1.166 CC1=C[C@H]([C@@H](CC1)C(C)C)O CNP0246159.4 [0,0,0,0,0,0|0,0,4]=4 27 B11R1.166 CC1=C[C@H]([C@H](CC1)C(C)C)O CNP0246159.1 [0,0,0,0,0,0|0,0,4]=4 28 B11R1.166 CC1C=C(C(CC1)C(C)C)O CNP0003486.0 [0,0,0,0,0,0|0,0,4]=4 29 B11R1.166 CC1CCC(=C(C1)O)C(C)C CNP0029188.0 [0,0,0,0,0,0|0,0,4]=4 30 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,0|0,0,2]=3 36 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [1,0,0,0,0,0|0,0,2]=3 47 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [1,0,0,0,0,0|0,0,2]=3 48 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,0,0,0,0,0|0,0,0]=1 54 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [1,0,0,0,0,0|0,0,2]=3 58 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [1,0,0,0,0,0|0,0,2]=3 59 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [1,0,0,0,0,0|0,0,2]=3 60 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [1,0,0,0,0,0|0,0,2]=3 61 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,0,0,0,0,0|0,0,0]=1 75 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.25 CCC1=CN=C(N=C1O)O CNP0514605.0 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,0,0,0,0,0|1,0,2]=4 90 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,0,0,0,0,0|0,0,0]=1 94 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,0,0,0,0,0|1,1,0]=3 95 B10R1.61 CC1=C(C=COC1)C(C)C CNP0183194.0 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.61 CC1=C(OCC=C1)C(C)C CNP0344214.0 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,0,0,0,0,0|3,0,0]=4 106 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,1,0,0,0,0|0,0,2]=3 107 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)C CNP0173144.0 [0,1,0,0,0,0|0,0,0]=1 111 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [0,1,0,0,0,0|0,0,0]=1 112 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,1,0,0,0,0|1,0,1]=3 114 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C CNP0158912.0 [0,1,0,0,0,0|0,0,1]=2 119 B12R1.232 CC1=C[C@@H]([C@@H](CC1=O)C(C)C)O CNP0357367.2 [0,1,0,0,0,0|0,0,3]=4 120 B12R1.232 CC1=C[C@@H]([C@H](CC1=O)C(C)C)O CNP0357367.3 [0,1,0,0,0,0|0,0,3]=4 121 B12R1.232 CC1=C[C@H]([C@@H](CC1=O)C(C)C)O CNP0357367.1 [0,1,0,0,0,0|0,0,3]=4 122 B12R1.232 CC1=C[C@H]([C@H](CC1=O)C(C)C)O CNP0357367.4 [0,1,0,0,0,0|0,0,3]=4 123 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,1,0,0,0,0|0,0,0]=1 125 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.452 C[C@@H](O)C1=COC(=CC1=O)CO CNP0212626.1 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.893 CC(C)C1=C(C(=O)[C@H](CC1)C)O CNP0201793.1 [0,1,0,0,0,0|0,0,3]=4 133 B12R1.893 CC1=CC=C(C(=C1O)C)C(C)C CNP0526701.0 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,1,0,0,0,0|0,0,0]=1 135 B12R1.893 CC1=CCC(C(C1=O)O)C(C)C CNP0551335.0 [0,1,0,0,0,0|0,0,3]=4 136 B12R1.911 CC1=C[C@@H]([C@](C=C1)(O)C(C)C)O CNP0005327.1 [0,1,0,0,0,0|0,0,2]=3 137 B12R1.1000 CC(=N)C1=C(C=C(OC1=O)C)O CNP0074250.0 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,1,0,0,0,0|1,0,1]=3 139 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O CNP0255105.0 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.1000 CC(=O)C1=C(C=C(OC1=O)C)O CNP0309619.0 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)O CNP0290556.0 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.1000 CC1=CC(=C(C(=C1)C)C(C)O)C CNP0230604.0 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O CNP0244321.0 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.1000 CC1=C[C@@H]([C@@H](C(=O)C1)C(C)C)O CNP0273040.1 [0,1,0,0,0,0|0,0,3]=4 146 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,1,0,0,0,0|0,0,2]=3 147 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,1,0,0,0,0|1,0,1]=3 148 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,1,0,0,0,0|0,0,0]=1 150 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,0,1,0,0,0|0,0,2]=3 155 B10R0.3 CC(=CC=CC(=CCO)C)C CNP0278603.0 [0,0,1,0,0,0|0,0,2]=3 156 B10R0.44 C=CC(=CC(=O)C=C(C)C)C CNP0174615.0 [0,0,1,0,0,0|0,0,2]=3 157 B10R0.44 C=CC(=CC(=O)CC(C)C)C CNP0231823.0 [0,0,1,0,0,0|0,0,2]=3 158 B10R0.44 C=CC(=CC(O)C=C(C)C)C CNP0546844.0 [0,0,1,0,0,0|0,0,2]=3 159 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,0,0,1,0,0|2,0,1]=4 160 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,0,0,1,0,0|0,0,0]=1 161 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,0,0,1,0,0|2,0,1]=4 162 B12R2.612 CC1=CN=C2C(=N1)CC[C@H]2C CNP0338936.1 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,0,0,1,0,0|2,0,1]=4 165 B12R2.3028 CC1=CC(=C2C(=C1)C[C@@H]2Cl)C CNP0059933.2 [0,0,0,1,0,0|2,0,0]=3 166 B12R2.3028 CC1=CC(=C2C(=C1)C[C@H]2Cl)C CNP0059933.1 [0,0,0,1,0,0|2,0,0]=3 167 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,0,0,1,0,0|2,0,1]=4 168 B10R1.59 CC1=NN(C(=C1)C)C(C)C CNP0055107.0 [0,0,0,0,1,0|3,0,0]=4 169 B10R1.194 CC(C)C1=C(C(=O)CC1)O CNP0240398.0 [0,0,0,0,1,0|1,0,2]=4 170 B10R1.194 CC(C)C1=CCC(C1=O)C CNP0116593.0 [0,0,0,0,1,0|0,0,3]=4 171 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,0,0,0,0,1|2,0,1]=4 172 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,0,0,0,0,1|1,0,1]=3 173 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,0,0,0,0,1|2,0,1]=4 174 B12R1.233 CC1=CN=C(C(=N1)C)CC(C)C CNP0086327.0 [0,0,0,0,0,1|3,0,0]=4 175 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [1,0,1,0,0,0|0,0,2]=4 176 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [1,0,1,0,0,0|0,0,0]=2 177 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [1,0,1,0,0,0|0,0,2]=4 178 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [1,0,1,0,0,0|0,0,2]=4 179 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [1,0,1,0,0,0|0,0,2]=4 180 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [1,0,1,0,0,0|0,0,2]=4 181 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [1,0,1,0,0,0|0,0,2]=4 182 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|0,0,2]=4 183 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 184 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|1,0,1]=4 185 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,0]=2 190 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|0,0,2]=4 205 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|1,0,1]=4 206 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|0,0,0]=2 207 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [2,0,0,0,0,0|0,0,2]=4 209 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [2,0,0,0,0,0|0,0,2]=4 218 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [2,0,0,0,0,0|0,0,0]=2 224 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [2,0,0,0,0,0|0,1,0]=3 225 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [2,0,0,0,0,0|1,0,0]=3 249 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [2,0,0,0,0,0|1,0,0]=3 254 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [2,0,0,0,0,0|0,0,0]=2 259 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [2,0,0,0,0,0|2,0,0]=4 275 B11R0.6 CC(=CC=CC(=CC(=O)O)C)C CNP0286255.0 [0,1,1,0,0,0|0,0,1]=3 276 B11R0.92 CC=C(C)C=C(C)C(=O)C(C)C CNP0339213.0 [0,1,1,0,0,0|2,0,0]=4 277 B11R0.146 C=C(C)/C=C/[C@H](CCO)C(C)C CNP0316217.1 [0,1,1,0,0,0|0,0,2]=4 278 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [1,1,0,0,0,0|0,0,1]=3 280 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [1,1,0,0,0,0|0,0,0]=2 281 B11R1.3 CC(C)C1=CC=C(CC1)CO CNP0003449.0 [1,1,0,0,0,0|0,0,2]=4 282 B11R1.3 CC(C)C1=CCC(=CC1)CO CNP0359351.0 [1,1,0,0,0,0|0,0,2]=4 283 B11R1.3 CC(C)C1C=CC(=CC1)CO CNP0077140.0 [1,1,0,0,0,0|0,0,2]=4 284 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [1,1,0,0,0,0|0,0,0]=2 290 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [1,1,0,0,0,0|0,0,0]=2 296 B11R1.19 CC1=CC[C@@H](C=C1)C(C)(C)O CNP0359689.2 [1,1,0,0,0,0|0,0,2]=4 297 B11R1.19 CC1=CC[C@H](C=C1)C(C)(C)O CNP0359689.1 [1,1,0,0,0,0|0,0,2]=4 298 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,1,0,0,0,0|0,0,2]=4 299 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.21 CC1=C(C=C(CC1)C(C)C)O CNP0605783.0 [1,1,0,0,0,0|0,0,2]=4 302 B11R1.21 CC1=C(OC(=CC1)C(C)C)C CNP0229126.0 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [1,1,0,0,0,0|0,0,0]=2 305 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.21 CC1=CC=C(CC1O)C(C)C CNP0592854.0 [1,1,0,0,0,0|0,0,2]=4 308 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|0,0,1]=3 310 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,1,0,0,0,0|0,0,0]=2 311 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [1,1,0,0,0,0|0,0,2]=4 322 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [1,1,0,0,0,0|0,0,0]=2 325 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [1,1,0,0,0,0|0,0,0]=2 339 B11R1.277 CCC1=CC(=O)C(=CC1=O)C CNP0227006.0 [1,1,0,0,0,0|0,0,1]=3 340 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.464 CC1=CC(=C(C(=C1)O)C=O)O CNP0218508.0 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.464 CCC1=C(C=C(N=C1Cl)C)Cl CNP0188033.0 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.464 CCC1=C(C=C(OC1=O)C)O CNP0431819.0 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.464 COC1=C(C=C(C=C1Br)Br)O CNP0097750.0 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.464 COC1=C(C=C(NC1=O)C)O CNP0316494.0 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [1,1,0,0,0,0|0,0,2]=4 372 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [1,1,0,0,0,0|0,0,2]=4 373 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.53 CC(C)C1=CC=CC=C1C=O CNP0492852.0 [1,1,0,0,0,0|0,0,1]=3 375 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [1,1,0,0,0,0|0,0,0]=2 378 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.87 CC(C)(C)C1=CC=CC=C1O CNP0079851.0 [1,1,0,0,0,0|0,0,0]=2 381 B11R1.87 CC(C)(C)C1=NC=CC=C1O CNP0517568.0 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [1,1,0,0,0,0|0,0,2]=4 384 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [1,1,0,0,0,0|0,0,0]=2 388 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.159 CC1=CC=CC(=C1N)C(C)C CNP0611703.0 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [1,1,0,0,0,0|1,0,1]=4 391 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [1,1,0,0,0,0|0,0,0]=2 394 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [1,1,0,0,0,0|0,0,0]=2 396 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.646 CC1=CC(=C(O1)C(C)(C)C)C CNP0345134.0 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.316 CC1=CSC(=C1C)C(C)(C)C CNP0345135.0 [0,1,0,0,1,0|2,0,0]=4 400 B13R1.51 COC1=CC(=CC=C1OC(=O)C)C CNP0189629.0 [0,1,0,0,0,1|1,0,1]=4 401 B13R1.163 CC(=O)C(=O)C1=CC=C(C=C1O)C CNP0147494.0 [0,1,0,0,0,1|1,0,1]=4 402 B13R1.163 CC(=O)[C@@H](C)C1=CC=C(C=C1O)C CNP0325970.1 [0,1,0,0,0,1|1,0,1]=4 403 B13R1.163 CC(=O)[C@@H](O)C1=CC=C(C=C1O)C CNP0151218.2 [0,1,0,0,0,1|1,0,1]=4 404 B13R1.163 CC(=O)[C@H](O)C1=CC=C(C=C1O)C CNP0151218.1 [0,1,0,0,0,1|1,0,1]=4 405 B13R1.653 CC(C)OC1=CC=C(C=C1O)CO CNP0438495.0 [0,1,0,0,0,1|0,0,0]=2 406 B13R1.653 CCC1=CC=C(C(=O)O1)CC(C)C CNP0226350.0 [0,1,0,0,0,1|1,0,1]=4 407 B13R1.653 COC1=CC=C(C(=C1)O)C[C@H](C)O CNP0360565.1 [0,1,0,0,0,1|1,0,0]=3 408 B13R1.653 COC1=CC=C(C(=C1)O)NC(=O)C CNP0561115.0 [0,1,0,0,0,1|1,0,1]=4 409 B13R1.3783 CC(C)C1=C(C(=O)C(=CC=C1)O)O CNP0501020.0 [0,1,0,0,0,1|1,0,0]=3 410 B13R1.3783 CC(C)C1=CC=CC(=O)C(=C1O)O CNP0186226.0 [0,1,0,0,0,1|1,0,0]=3 411 B13R1.3800 CC(C)C1=CC(=C(C(=O)C=C1)O)O CNP0506692.0 [0,1,0,0,0,1|1,0,0]=3 412 B13R1.3800 CC(C)C1=CC=C(C(=O)C(=C1)Cl)Cl CNP0049491.0 [0,1,0,0,0,1|2,0,0]=4 413 B13R1.3800 CC(C)C1=CC=C(C(=O)C(=C1)O)O CNP0271620.0 [0,1,0,0,0,1|1,0,0]=3 414 B13R1.99 COC1=CC(=CC=C1C(C)C)C=O CNP0565495.0 [0,2,0,0,0,0|0,0,1]=3 415 B13R1.99 COC1=CC(=CC=C1C(C)C)CO CNP0327020.0 [0,2,0,0,0,0|0,0,0]=2 416 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)C CNP0393689.0 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.315 COC1=CC(=CC(=C1C(=O)C)O)C CNP0249495.0 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.356 CC1=CC=C(C(=C1)OC=O)C(C)C CNP0075978.0 [0,2,0,0,0,0|0,0,0]=2 419 B13R1.356 CCOC1=CC(=CC=C1C(C)C)C CNP0179395.0 [0,2,0,0,0,0|0,0,0]=2 420 B13R1.2065 COC1=CC(=O)OC=C1C(C)CO CNP0336364.0 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.2398 COC1=CC(=C(C=C1C(C)C)O)C CNP0411678.0 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.877 CC1=CC(=C(C=C1C(C)(C)C)O)O CNP0518433.0 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.884 CC1=CC=C(C(=C1O)O)C(C)(C)O CNP0261183.0 [0,2,0,0,0,0|0,0,0]=2 424 B13R1.4183 C=CC(C)(C)C1=CC=C(C=C1O)O CNP0246598.0 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.4183 CC1=CC=C(C(=C1)O)[C@@](C)(O)CO CNP0270587.1 [0,2,0,0,0,0|0,0,0]=2 426 B13R1.4183 CC1=CC=C(C(=C1)O)[C@](C)(O)CO CNP0270587.2 [0,2,0,0,0,0|0,0,0]=2 427 B13R1.651 COC1=CC(=C(C=C1C)O)C(C)C CNP0117764.0 [0,2,0,0,0,0|0,0,0]=2 428 B13R1.652 COC1=CC(=C(C=C1Br)C(=O)C)O CNP0197660.0 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.652 COC1=CC(=C(C=C1O)C(=O)C)O CNP0205734.0 [0,2,0,0,0,0|1,0,1]=4 430 B13R1.2811 CC1=C(C(=O)C(=CC1=O)C(C)C)O CNP0340343.0 [0,2,0,0,0,0|0,0,1]=3 431 B13R1.2811 CC1=C(C=C(C(=C1O)O)C(C)C)O CNP0299699.0 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.2811 CC1=C(OC(=O)C(=C1O)C)C(C)C CNP0125708.0 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.2812 CC1=CC(=O)C(=C(C1=O)O)C(C)C CNP0370759.0 [0,2,0,0,0,0|0,0,0]=2 434 B13R1.95 CCC(=O)C1=CC=C(C=C1O)OC CNP0227317.0 [0,2,0,0,0,0|1,0,1]=4 435 B13R1.95 COC(=O)C1=CC=C(C=C1O)OC CNP0304629.0 [0,2,0,0,0,0|1,0,1]=4 436 B13R1.120 CC(C)C1=CC=C(C(=C1)O)C(C)C CNP0389590.0 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.120 CC(C)C1=CC=C(C=C1O)C(=O)O CNP0237614.0 [0,2,0,0,0,0|0,0,1]=3 438 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)C CNP0119132.0 [0,2,0,0,0,0|1,0,1]=4 439 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)O CNP0276533.0 [0,2,0,0,0,0|1,0,1]=4 440 B13R1.3096 COC1=CC=C(C(=C1O)O)C(=O)C CNP0408569.0 [0,2,0,0,0,0|1,0,1]=4 441 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)C)O CNP0387213.0 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.961 CC1=CC=C(C(=C1)O)C(CO)CO CNP0309455.0 [0,2,0,0,0,0|0,0,0]=2 443 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [0,0,1,1,0,0|0,0,2]=4 444 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [0,0,1,1,0,0|0,0,2]=4 445 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,0,1,1,0,0|1,0,1]=4 446 B11R1.424 CC1=C(C(C=CC1)(C)C)C=O CNP0038929.0 [0,0,1,1,0,0|0,0,2]=4 447 B11R1.424 CC1=C(C(CC=C1)(C)C)C=O CNP0229410.0 [0,0,1,1,0,0|0,0,2]=4 448 B11R1.562 C/C/1=C/C=C\[C@@](C/C=C1)(C)O CNP0143835.1 [0,0,1,1,0,0|2,0,0]=4 449 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [0,0,1,1,0,0|2,0,0]=4 450 B11R1.325 C=C1C(=CC(=O)CC1(C)C)C CNP0076977.0 [0,0,1,1,0,0|2,0,0]=4 451 B11R1.39 C=CC(=CC1=CC(=CO1)C)C CNP0161255.0 [0,0,1,1,0,0|0,0,2]=4 452 B11R1.512 CC1=CC(=O)CC(C=C1)(C)C CNP0123494.0 [0,0,1,1,0,0|0,0,2]=4 453 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [1,0,0,1,0,0|1,0,0]=3 454 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [1,0,0,1,0,0|1,0,1]=4 455 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|1,0,0]=3 456 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [1,0,0,1,0,0|2,0,0]=4 457 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,0,0,1,0,0|2,0,0]=4 458 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,0,0,1,0,0|2,0,0]=4 459 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [1,0,0,1,0,0|1,0,0]=3 460 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,1,0,0|1,0,1]=4 461 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,1,0,0|1,0,1]=4 462 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,0]=3 463 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [1,0,0,1,0,0|2,0,0]=4 464 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,1]=4 465 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [1,0,0,1,0,0|2,0,0]=4 466 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [1,0,0,1,0,0|1,0,0]=3 467 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [1,0,0,1,0,0|2,0,0]=4 469 B13R2.3683 CC1=CN=C2CC(COC2=C1)C CNP0407931.0 [0,0,0,1,0,1|1,0,0]=3 470 B13R2.1944 COC1=CC(=CC2=C1C(=O)C2)C CNP0407597.0 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.5179 CC1=CC=C2C(=N1)CCC[C@H]2C CNP0356797.1 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.4011 CC1=CC(=C2C(=C1)C[C@@]2(C)O)C CNP0304910.1 [0,1,0,1,0,0|1,0,0]=3 473 B13R2.4011 CC1=CC(=C2C(=C1)C[C@]2(C)O)C CNP0304910.2 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.11642 CC1=CC(=C2C(=O)COC2=C1)O CNP0043045.0 [0,1,0,1,0,0|1,0,1]=4 475 B13R2.11642 C[C@H]1OCC2=CC(=CC(=C12)O)O CNP0532080.1 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.662 CC1=CC=C2C(=COC2=C1)CO CNP0306512.0 [0,1,0,1,0,0|0,0,2]=4 477 B13R2.5190 C=C1C2=CC=C(C=C2O[C@@H]1O)C CNP0216491.1 [0,1,0,1,0,0|0,0,2]=4 478 B13R2.5190 C=C1C2=CC=C(C=C2O[C@H]1O)C CNP0216491.2 [0,1,0,1,0,0|0,0,2]=4 479 B13R2.5190 CC1=CC=C2C(=C1)OC(=O)C2C CNP0002673.0 [0,1,0,1,0,0|0,0,1]=3 480 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,0,1,0,1,0|1,0,1]=4 481 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [1,0,0,0,1,0|1,0,0]=3 482 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [1,0,0,0,1,0|2,0,0]=4 483 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [1,0,0,0,1,0|2,0,0]=4 485 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [1,0,0,0,1,0|2,0,0]=4 486 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,0,0,0,0,1|1,0,1]=4 487 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,0,0,0,0,1|1,0,0]=3 488 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [1,0,0,0,0,1|2,0,0]=4 489 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,0,0,0,0,1|0,0,0]=2 490 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,0,0,0,0,1|1,0,0]=3 491 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,0,0,0,0,1|2,0,0]=4 492 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [1,0,0,0,0,1|1,0,1]=4 493 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [1,0,0,0,0,1|0,0,0]=2 494 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [1,0,0,0,0,1|0,0,0]=2 495 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C CNP0172814.0 [0,0,0,0,1,1|1,0,0]=3 496 B11R1.74 CC1=CC(=NC(=N1)C(C)C)O CNP0161448.0 [0,0,0,0,1,1|1,0,0]=3 497 B11R1.74 CC1=CC(=O)N=C(N1)C(C)C CNP0611720.0 [0,0,0,0,1,1|1,0,1]=4 498 B13R1.164 CC(=CCC1=CC=C(C=C1O)O)C CNP0130850.0 [0,0,0,0,0,2|1,0,1]=4 499 B13R1.164 CC(C)CCC1=CC=C(C=C1O)O CNP0138668.0 [0,0,0,0,0,2|1,0,0]=3