0 B9R1.69 C=C1C=C[C@@H](C(=C1)Cl)Cl CNP0546368.1 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.69 CC1=C(NC(=O)N=C1)N CNP0315727.0 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,0,0,0,0,0|1,1,0]=2 27 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,0,0,0,0,0|1,1,0]=2 29 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,0,0,0,0,0|3,1,0]=4 47 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.69 CN1C=CC(=NC1=O)O CNP0514957.0 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [0,0,0,0,0,0|2,1,0]=3 55 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [0,0,0,0,0,0|1,1,0]=2 57 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [0,0,0,0,0,0|2,0,0]=2 59 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.69 NC1=NC(=O)NC=C1Cl CNP0212451.0 [0,0,0,0,0,0|2,1,1]=4 64 B9R1.69 NC1=NC=C(C=C1Br)Br CNP0105917.0 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [0,0,0,0,0,0|2,1,1]=4 66 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [0,0,0,0,0,0|2,1,0]=3 68 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [0,0,0,0,0,0|1,1,0]=2 70 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,0,0,0,0,0|1,1,0]=3 76 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,0,0,0,0,0|1,1,0]=3 78 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,0,0,0,0,0|1,1,0]=3 80 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,0,0,0,0,0|1,1,0]=3 83 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,0,0,0,0,0|1,1,0]=3 92 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,0,0,0,0,0|1,1,0]=3 93 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,0,0,0,0,0|1,1,0]=3 94 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,0,0,0,0,0|2,1,0]=4 97 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,0,0,0,0,0|2,1,0]=4 98 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,0,0,0,0,0|2,1,0]=4 99 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,0,0,0,0,0|1,0,1]=3 101 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,0,0,0,0,0|0,1,0]=2 102 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,0,0,0,0,0|0,1,0]=2 103 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,0,0,0,0,0|0,1,0]=2 104 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,0,0,0,0,0|1,0,0]=2 105 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,0,0,0,0,0|1,0,0]=2 115 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,0,0,0,0,0|2,0,0]=3 127 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,0,0,0,0,0|1,0,0]=2 129 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,0,0,0,0,0|1,0,0]=2 130 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,0,0,0,0,0|0,0,0]=1 131 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,0,0,0,0,0|1,0,0]=2 138 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,0,0,0,0,0|1,0,0]=2 139 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,0,0,0,0,0|1,0,1]=3 143 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,0,0,0,0,0|1,1,0]=3 147 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,0,0,0,0,0|1,1,0]=3 149 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,0,0,0,0,0|1,0,0]=2 150 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,0,0,0,0,0|2,0,0]=3 151 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,0,0,0,0,0|2,0,0]=3 152 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,0,0,0,0,0|2,0,0]=3 156 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,0,0,0,0,0|2,0,0]=3 157 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,0,0,0,0,0|1,1,0]=3 161 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [1,0,0,0,0,0|2,0,0]=3 162 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,0,0,0,0,0|0,1,0]=2 163 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,0,0,0,0,0|1,0,0]=2 164 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,0,0,0,0,0|1,0,0]=2 165 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,0,0,0,0,0|1,0,0]=2 166 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,0,0,0,0,0|1,1,0]=3 167 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,0,0,0,0,0|1,1,0]=3 168 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,0,0,0,0,0|2,0,1]=4 170 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,0,0,0,0,0|1,1,0]=3 175 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,0,0,0,0,0|1,1,0]=3 176 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,0,0,0,0,0|2,1,0]=4 178 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,0,0,0,0,0|2,0,0]=3 183 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.22 CC1=C(C=C(C=C1Cl)S)Cl CNP0108382.0 [0,1,0,0,0,0|2,1,0]=4 187 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [0,1,0,0,0,0|2,1,0]=4 189 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [0,1,0,0,0,0|2,1,0]=4 196 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [0,1,0,0,0,0|2,1,0]=4 201 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [0,1,0,0,0,0|1,1,0]=3 207 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [0,1,0,0,0,0|1,1,0]=3 208 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.22 NC1=C(C=C(C=C1Br)Br)Br CNP0057961.0 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.22 NC1=C(C=C(C=C1Cl)Cl)Cl CNP0036320.0 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.22 O=C1C=C(C(=O)C(=C1)Br)Br CNP0157909.0 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [0,1,0,0,0,0|1,1,0]=3 225 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [0,1,0,0,0,0|1,1,0]=3 229 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [0,1,0,0,0,0|1,1,0]=3 230 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [0,1,0,0,0,0|1,1,0]=3 231 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,1,0,0,0,0|2,1,0]=4 241 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.25 NC1=CC=C(C(=N1)N)N=O CNP0048898.0 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,1,0,0,0,0|1,1,1]=4 262 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.30 O=C1OC=C(C=C1CO)O CNP0541420.0 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,1,0,0,0,0|1,1,0]=3 280 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.118 BrC1=C(C=C(C(=C1)Br)Br)Br CNP0049506.0 [0,1,0,0,0,0|2,1,0]=4 282 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [0,1,0,0,0,0|2,1,0]=4 284 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [0,1,0,0,0,0|2,1,0]=4 287 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.118 OC1=C(C=C(C(=C1)O)O)O CNP0611719.0 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.118 OC1=CC(=C(C=C1Cl)O)Cl CNP0067457.0 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.118 OC1=CC(=C(C=C1O)Br)Br CNP0556999.0 [0,1,0,0,0,0|1,1,0]=3 294 B10R1.118 OC1=NC(=C(C=C1Cl)Cl)Cl CNP0363725.0 [0,1,0,0,0,0|2,1,0]=4 295 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,1,0,0,0,0|2,1,0]=4 305 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)Cl CNP0445745.0 [0,1,0,0,0,0|2,1,0]=4 308 B10R1.119 NC1=CC=C(C(=C1Br)N)Br CNP0090854.0 [0,1,0,0,0,0|1,1,0]=3 309 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [0,1,0,0,0,0|2,1,0]=4 311 B10R1.119 OC1=CC=C(C(=C1Br)Br)Br CNP0133044.0 [0,1,0,0,0,0|1,1,0]=3 312 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [0,1,0,0,0,0|1,1,0]=3 313 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,1,0,0,0,0|1,1,0]=3 326 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,1,0,0,0,0|1,1,0]=3 327 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,1,0,0,0,0|1,1,0]=3 329 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,1,0,0,0,0|1,0,1]=3 333 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,1,0,0,0,0|1,1,1]=4 337 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,1,0,0,0,0|2,0,0]=3 340 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,0,1,0,0,0|2,0,0]=3 341 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,0,1,0,0,0|2,0,0]=3 342 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,0,0,0,1,0|2,1,0]=4 343 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,0,0,0,1,0|2,0,0]=3 344 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [0,0,0,0,1,0|3,0,0]=4 345 B10R1.332 CC1=C(C=CC(=O)C=C1)Cl CNP0070609.0 [0,0,0,0,0,1|1,1,1]=4 346 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|2,0,0]=4 347 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|2,0,0]=4 348 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,1,0,0,0|2,0,0]=4 349 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|2,0,0]=4 350 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|2,0,0]=4 351 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [1,0,1,0,0,0|2,0,0]=4 352 B7R0.6 NC(=CC=C(N)O)O CNP0445751.0 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [1,0,1,0,0,0|2,0,0]=4 354 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|0,1,0]=3 355 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|1,0,0]=3 357 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|2,0,0]=4 358 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|0,1,0]=3 362 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|0,1,0]=3 363 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|1,1,0]=4 364 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|1,0,1]=4 365 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|0,0,0]=2 366 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|1,0,0]=3 367 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|1,0,0]=3 368 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|1,0,0]=3 369 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|1,0,0]=3 370 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,2]=4 372 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 373 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,1]=4 374 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,1]=4 375 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,1]=4 376 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,0]=2 377 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 378 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 379 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,0]=3 380 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 381 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 382 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|1,0,1]=4 386 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,1,0,0,0,0|1,0,1]=4 389 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|1,1,0]=4 390 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|1,0,0]=3 393 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,1,0,0,0,0|0,1,1]=4 405 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,1,0,0,0,0|0,1,0]=3 406 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|0,0,0]=2 419 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|0,0,1]=3 423 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|0,0,0]=2 424 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [1,1,0,0,0,0|1,1,0]=4 461 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.34 ClC1=CC(=CC(=C1)Cl)Cl CNP0491812.0 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.34 NC1=CC(=CC(=C1)N)N CNP0518662.0 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.34 NC1=CC(=CC(=N1)Cl)Cl CNP0352551.0 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.34 OC1=CC(=CC(=C1)Cl)Cl CNP0017796.0 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.34 OC1=CC(=CC(=C1)O)O CNP0299558.0 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|1,1,0]=4 474 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|1,1,0]=4 476 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|1,1,0]=4 477 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|1,0,0]=3 483 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|0,1,0]=3 489 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|1,1,0]=4 490 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|1,1,0]=4 493 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.499 O=C1C(=CC=CC(=C1O)O)O CNP0509109.0 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.499 O=C1C=CC=C(C(=C1O)O)O CNP0343359.0 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.655 CC1=C(C=C(C(=O)C=C1)O)C CNP0472107.0 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.8 CC1=C(C=C(C=C1NO)N)N CNP0502603.0 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.8 COC1=CC(=CC(=C1C)O)O CNP0262935.0 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.14 COC1=CC(=C(C(=C1)Br)O)Br CNP0419946.0 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C CNP0205664.0 [0,2,0,0,0,0|1,1,0]=4 506 B11R1.14 COC1=CC(=C(C(=C1)C)O)C CNP0227213.0 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.14 COC1=CC(=C(C(=C1)Cl)O)Cl CNP0210331.0 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.14 COC1=CC(=C(C(=C1)O)C)O CNP0312414.0 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)Br CNP0322070.0 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)O CNP0347203.0 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.14 OCC1=CC(=C(C(=C1)Cl)O)O CNP0147248.0 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.14 OCC1=CC(=C(C(=C1)O)O)O CNP0196506.0 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.32 CC1=C(C(=CC(=C1Cl)O)O)Cl CNP0430106.0 [0,2,0,0,0,0|1,1,0]=4 514 B11R1.32 CC1=C(C(=O)C(=CC1=O)O)O CNP0111158.0 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.32 CC1=C(C(=O)C=C(C1=O)O)O CNP0221051.0 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.32 CC1=C(C=C(C(=C1O)C)O)O CNP0149570.0 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.32 CC1=CC(=C(C(=C1C)C)O)C CNP0205719.0 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.32 CC1=CC(=C(C(=C1C)C)O)O CNP0288515.0 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.32 CC1=CC(=C(C(=C1C)O)C)O CNP0324335.0 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.32 CC1=CC(=C(C(=C1N)C)N)C CNP0600092.0 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.32 CC1=CC(=C(C(=C1O)C)C)O CNP0086369.0 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.32 CC1=CC(=C(C(=C1O)O)O)O CNP0166636.0 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)O CNP0207805.0 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.32 OC1=CC(=C(C(=C1Br)Br)O)Br CNP0046080.0 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.32 OC1=CC(=C(C(=C1Br)O)Br)O CNP0236193.0 [0,2,0,0,0,0|1,1,0]=4 526 B11R1.32 OC1=CC(=C(C(=C1Cl)Cl)O)Cl CNP0083797.0 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.32 OC1=CC(=C(C(=C1Cl)O)Br)O CNP0178904.0 [0,2,0,0,0,0|1,1,0]=4 528 B11R1.32 OC1=CC(=C(C(=C1O)O)Br)O CNP0437743.0 [0,2,0,0,0,0|1,1,0]=4 529 B11R1.464 CC1=CC(=CC(=C1C=O)O)O CNP0115622.0 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.464 COC1=C(C=C(C=C1Br)O)Br CNP0178459.0 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.464 O=CC1=C(C=C(C=C1O)O)O CNP0198826.0 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.166 NC1=CC(=CC=C1[N+](=O)[O-])Cl CNP0590572.0 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,2,0,0,0,0|1,1,0]=4 553 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.277 CC1=CC(=NO)C(=CC1=O)C CNP0294852.0 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [0,2,0,0,0,0|1,1,0]=4 560 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.277 O=CC1=CC(=C(C=C1Br)O)O CNP0158213.0 [0,2,0,0,0,0|1,1,0]=4 564 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [0,2,0,0,0,0|1,1,0]=4 566 B11R1.278 CC1=C(C(=NO)C=CC1=O)C CNP0222665.0 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.278 COC1=CC=C(C(=C1Br)C)Cl CNP0611848.0 [0,2,0,0,0,0|1,1,0]=4 570 B11R1.278 COC1=CC=C(C(=C1C)C)Br CNP0059488.0 [0,2,0,0,0,0|1,1,0]=4 571 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.279 CC1=CC(=NO)C=CC1=NO CNP0317320.0 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.279 COC1=CC=C(C(=N1)N)N=O CNP0131979.0 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.72 C=CC1=C(C=CC(=C1C)O)O CNP0119904.0 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,2,0,0,0,0|1,0,1]=4 595 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [0,2,0,0,0,0|1,1,0]=4 602 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.280 O=C1C=CC(=CC1=NO)CO CNP0510804.0 [0,2,0,0,0,0|1,0,1]=4 604 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.21 NC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0484931.0 [0,2,0,0,0,0|0,1,1]=4 610 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.192 ON=CC1=CC=C(C(=C1)Cl)Cl CNP0052096.0 [0,2,0,0,0,0|1,1,0]=4 622 B11R1.192 ON=CC1=CC=C(C(=C1)O)O CNP0372159.0 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,1,1,0,0|2,0,0]=4 624 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|2,0,0]=4 625 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,1,0,1,0,0|2,0,0]=4 626 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,1,0,1,0,0|2,0,0]=4 627 B11R2.36 N=C1C=CC2=NNOC2=C1 CNP0000847.0 [0,1,0,1,0,0|2,0,0]=4 628 B11R2.36 N=C1C=CC2=NONC2=C1 CNP0242803.0 [0,1,0,1,0,0|2,0,0]=4 629 B11R2.36 O=C1C=CC2=NNNC2=C1 CNP0358329.0 [0,1,0,1,0,0|1,0,1]=4 630 B11R2.36 OC1=CC2=C(C=N1)N=CN2 CNP0013570.0 [0,1,0,1,0,0|2,0,0]=4 631 B11R2.36 OC1=CC2=CNN=C2C=N1 CNP0100341.0 [0,1,0,1,0,0|2,0,0]=4 632 B11R2.36 OC1=CC2=NNC=C2C=N1 CNP0000997.0 [0,1,0,1,0,0|2,0,0]=4 633 B11R2.36 OC1=CC2=NNC=C2N=C1 CNP0078803.0 [0,1,0,1,0,0|2,0,0]=4 634 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,1,0,1,0,0|2,0,0]=4 635 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,1,0,1,0,0|2,0,0]=4 636 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|2,0,0]=4 637 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,1,0,1,0,0|2,0,0]=4 638 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [0,1,0,1,0,0|1,0,1]=4 639 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,1,0,1,0,0|2,0,0]=4 640 B11R2.36 OC1=CC=C2NN=NC2=C1 CNP0361868.0 [0,1,0,1,0,0|1,0,1]=4 641 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,1,0,1,0,0|2,0,0]=4 642 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,1,0,1,0,0|2,0,0]=4 643 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,1,0,1,0,0|2,0,0]=4 644 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,0,0,0,1,0|2,0,0]=4 646 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,0,2,0|2,0,0]=4