0 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [1,0,0,0,0,0|0,0,0]=1 43 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.3 CN1C(=CC=NC1=O)N CNP0001922.0 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,0|0,0,1]=2 88 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,0|0,0,0]=1 109 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,0|0,0,0]=1 111 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,1,0,0,0,0|0,0,0]=1 151 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,1,0,0,0,0|1,0,1]=3 152 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.69 CC1=NNC(=O)NC1=O CNP0082142.0 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.69 CN1C=CC(=NC1=O)N CNP0579381.0 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 CN1C=CC(=NC1=O)O CNP0514957.0 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 C[C@@H]1N=C(CN=C1O)O CNP0535425.1 [0,1,0,0,0,0|1,0,2]=4 160 B9R1.69 NC1=NC=C(C=C1Br)Br CNP0105917.0 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,1,0,0,0|2,0,0]=3 162 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,1,0,0,0|2,0,1]=4 163 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,0,1,0,0,0|2,0,1]=4 164 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,0,1,0,0,0|1,0,2]=4 165 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,0,1,0,0,0|3,0,0]=4 166 B7R0.10 CC(=NO)C(=NO)C CNP0126463.0 [0,0,1,0,0,0|2,0,0]=3 167 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,0|2,0,0]=3 168 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,0,0,0,1,0|2,0,1]=4 170 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,0,1,0|2,0,0]=3 171 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,1,0|2,0,0]=3 172 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,1,0|1,0,2]=4 173 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,0,1,0|1,0,0]=2 174 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,0,1,0|1,0,0]=2 175 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,1,0|1,0,0]=2 176 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,1,0|1,0,0]=2 177 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,1,0|2,0,1]=4 178 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,1,0|2,0,1]=4 179 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,0,0,0,1,0|3,0,0]=4 180 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,0,1,0|2,0,0]=3 181 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,0,1,0|1,0,0]=2 182 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,1,0|1,0,2]=4 183 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,0,1,0|2,0,0]=3 184 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,0,1,0|2,0,0]=3 185 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,0,1,0|2,0,1]=4 186 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,1,0|3,0,0]=4 187 B7R1.4 CN1N=NN=C1S CNP0474600.0 [0,0,0,0,1,0|3,0,0]=4 188 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,1,0|3,0,0]=4 189 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,0,1,0|3,0,0]=4 190 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,1|2,0,0]=3 191 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|1,0,1]=4 192 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|1,0,1]=4 194 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|1,0,1]=4 197 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|1,0,0]=3 198 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,1,0,0,0|1,0,1]=4 201 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [2,0,0,0,0,0|2,0,0]=4 202 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [2,0,0,0,0,0|1,0,0]=3 203 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.1 C1=CCC=CC1 CNP0508932.0 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [2,0,0,0,0,0|0,0,0]=2 206 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [2,0,0,0,0,0|2,0,0]=4 207 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [2,0,0,0,0,0|2,0,0]=4 208 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|2,0,0]=4 209 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|2,0,0]=4 210 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,1,0,0,0,0|0,0,0]=2 211 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,1,0,0,0,0|0,0,1]=3 213 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,1,0,0,0,0|0,0,0]=2 217 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,1,0,0,0,0|0,0,0]=2 222 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,1,0,0,0,0|0,0,0]=2 224 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,1,0,0,0,0|0,0,1]=3 228 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,1,0,0,0,0|1,0,0]=3 235 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,1,0,0,0,0|0,0,0]=2 239 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,1,0,0,0,0|0,0,0]=2 254 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [1,1,0,0,0,0|0,0,2]=4 256 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [1,1,0,0,0,0|0,0,0]=2 279 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,1,0,0,0,0|0,0,1]=3 280 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [1,1,0,0,0,0|1,0,0]=3 281 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [0,1,0,0,1,0|1,0,1]=4 283 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,1,0,0,1,0|1,0,1]=4 284 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,1,0|1,0,1]=4 285 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,1,0|1,0,0]=3 286 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,1,0|1,0,0]=3 287 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,1,0|1,0,0]=3 288 B8R1.11 NCC1=CON=C1O CNP0204327.0 [0,1,0,0,1,0|2,0,0]=4 289 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,1,0,0,1,0|2,0,0]=4 290 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,1,0,0,1,0|1,0,0]=3 291 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,1,0|0,0,1]=3 292 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,1,0|1,0,0]=3 293 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,1,0|1,0,1]=4 295 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,1,0|1,0,1]=4 296 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,1,0|2,0,0]=4 297 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,1,0,0,1,0|1,0,1]=4 298 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,0,1,0|1,0,0]=3 299 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,0,1,0|1,0,0]=3 300 B8R1.18 C[C@@H]1N=C(N=C1O)O CNP0188856.1 [0,1,0,0,1,0|1,0,1]=4 301 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,1,0|1,0,1]=4 303 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,1,0|1,0,0]=3 304 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,2,0,0,0,0|1,0,0]=3 312 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,2,0,0,0,0|1,0,1]=4 327 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,2,0,0,0,0|0,0,0]=2 330 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,2,0,0,0,0|0,0,0]=2 332 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,2,0,0,0,0|0,0,0]=2 334 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,2,0,0,0,0|0,0,0]=2 336 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [0,2,0,0,0,0|0,0,0]=2 340 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [0,2,0,0,0,0|0,0,0]=2 341 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.20 SCC1=CC=CC=C1CS CNP0028178.0 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [0,2,0,0,0,0|0,0,1]=3 348 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,2,0,0,0,0|0,0,0]=2 352 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,2,0,0,0,0|0,0,0]=2 355 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [0,2,0,0,0,0|0,0,1]=3 356 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,2,0,0,0,0|0,0,0]=2 361 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,2,0,0,0,0|0,0,0]=2 363 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,2,0,0,0,0|0,0,0]=2 364 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,2,0,0,0,0|1,0,0]=3 367 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,2,0,0,0,0|0,0,0]=2 368 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,2,0,0,0,0|1,0,1]=4 370 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.118 CC1=C(N=C(C(=N1)C)C)C CNP0327107.0 [0,2,0,0,0,0|0,0,0]=2 372 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [0,2,0,0,0,0|1,0,0]=3 375 B10R1.147 CC1=NCC(N=C1C)(C)C CNP0549187.0 [0,2,0,0,0,0|0,0,2]=4 376 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [0,2,0,0,0,0|0,0,0]=2 380 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [0,2,0,0,0,0|0,0,0]=2 383 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,1,1,0,0|2,0,0]=4 384 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,1,1,0,0|2,0,0]=4 385 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [1,0,0,1,0,0|2,0,0]=4 386 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,1,0,1,0,0|1,0,1]=4 387 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,1,0,1,0,0|0,0,1]=3 388 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,1,0,1,0,0|2,0,0]=4 389 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,1,0,1,0,0|2,0,0]=4 390 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,1,0,1,0,0|2,0,0]=4 391 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,1,0,1,0,0|2,0,0]=4 392 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [0,1,0,1,0,0|2,0,0]=4 393 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,1,0,1,0,0|1,0,0]=3 394 B10R2.7 C1=CN=C2NC=NC2=N1 CNP0404111.0 [0,1,0,1,0,0|1,0,1]=4 395 B10R2.7 C1=CN=C2NN=CC2=N1 CNP0367897.0 [0,1,0,1,0,0|1,0,1]=4 396 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,1,0,1,0,0|2,0,0]=4 397 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,1,0,1,0,0|2,0,0]=4 398 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,1,0,1,0,0|2,0,0]=4 399 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,1,0,1,0,0|2,0,0]=4 400 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,1,0,1,0,0|2,0,0]=4 401 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,1,0,1,0,0|2,0,0]=4 402 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,1,0,1,0,0|2,0,0]=4 403 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,1,0,1,0,0|2,0,0]=4 404 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,1,0|0,0,1]=3 405 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|0,0,1]=3 406 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,0]=3 407 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,0]=3 408 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,1,0|0,0,1]=3 409 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,1,0|1,0,0]=3 410 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,1,0|2,0,0]=4 411 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|0,0,1]=3 412 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,1,0|0,0,1]=3 413 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,1,0|1,0,0]=3 414 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,0]=3 415 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,0]=3 416 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,1,0|1,0,0]=3 417 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,1,0|1,0,0]=3 418 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,1,0|2,0,0]=4 419 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,1,0|2,0,0]=4 420 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,1,0|1,0,0]=3 421 B6R1.2 IC1=CNN=C1 CNP0529767.0 [1,0,0,0,1,0|2,0,0]=4 422 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,1,0|1,0,1]=4 423 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,1,0|2,0,0]=4 424 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,1,0|1,0,1]=4 425 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,1,0|2,0,0]=4 426 B6R1.2 NC1=NC=NN1 CNP0407759.0 [1,0,0,0,1,0|2,0,0]=4 427 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,1,0|2,0,0]=4 428 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,1,0|2,0,0]=4 429 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,1,0|2,0,0]=4 430 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,1,0|2,0,0]=4 431 B6R1.2 OC1=NNC=N1 CNP0175966.0 [1,0,0,0,1,0|2,0,0]=4 432 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,1,0|2,0,0]=4 433 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,1,0|2,0,0]=4