0 B9R1.69 C=C1C=C[C@@H](C(=C1)Cl)Cl CNP0546368.1 [0,0,0,0,0,0|3,0,1]=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=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,0,0,0|1,0,3]=4 3 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,0,0,0,0,0|1,0,0]=1 40 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,0,0,0,0,0|1,0,0]=1 41 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,0,0,0,0,0|0,0,0]=0 43 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.69 CC1=CNC(=O)NC1=O CNP0143365.0 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] CNP0596721.0 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,0,0,0,0,0|0,0,4]=4 59 B9R1.69 CN1C=CC(=NC1=O)N CNP0579381.0 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.69 CN1C=CC(=NC1=O)O CNP0514957.0 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.69 CN1C=CC(=O)NC1=O CNP0199194.0 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.69 CN1C=CC(=O)NC1=S CNP0157783.0 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,0,0,0,0,0|1,0,3]=4 64 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,0,0,0,0,0|1,0,3]=4 65 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.69 NC1=NC=C(C=C1Br)Br CNP0105917.0 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,0,0,0,0,0|2,0,1]=3 78 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,0,0,0,0,0|0,0,2]=3 88 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,0,0,0,0,0|1,0,0]=2 90 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,0,0,0,0,0|1,0,0]=2 92 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,0,0,0,0,0|0,0,0]=1 93 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,0,0,0,0,0|0,1,0]=2 94 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,0,0,0,0,0|1,0,0]=2 99 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,0,0,0,0,0|1,0,1]=3 102 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,0,0,0,0,0|1,0,1]=3 113 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,0,0,0,0,0|1,0,0]=2 114 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,0,0,0,0,0|1,0,0]=2 115 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,0,0,0,0,0|1,0,0]=2 117 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,0,0,0,0,0|1,0,0]=2 118 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,0,0,0,0,0|1,0,1]=3 122 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,0,0,0,0,0|1,0,1]=3 123 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,0,0,0,0,0|1,0,0]=2 124 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,0,0,0,0,0|1,0,0]=2 126 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,0,0,0,0,0|1,0,0]=2 127 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,0,0,0,0,0|0,0,0]=1 128 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,0,0,0,0,0|1,0,1]=3 132 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,0,0,0,0,0|2,0,0]=3 137 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,0,0,0|1,0,2]=4 138 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,0,0,0,0,0|2,0,0]=3 139 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,0,0,0,0,0|1,0,0]=2 140 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,0,0,0,0,0|1,0,0]=2 149 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,0,0,0,0,0|1,0,0]=2 150 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,0,0,0,0,0|1,0,1]=3 154 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,0,0,0,0,0|0,0,2]=3 157 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,0,0,0,0,0|0,0,2]=3 158 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,0,0,0,0,0|1,0,0]=2 159 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,0,0,0,0,0|0,0,0]=1 160 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,0,0,0,0,0|1,0,0]=2 161 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,0,0,0,0,0|1,0,0]=2 162 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,0,0,0,0,0|1,0,0]=2 163 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,0,0,0,0,0|1,0,0]=2 164 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,0,0,0,0,0|1,0,0]=2 165 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,0,0,0,0,0|1,0,0]=2 167 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,0,0,0,0,0|1,0,0]=2 170 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,0,0,0,0,0|2,0,0]=3 183 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,0,0,0,0,0|2,0,1]=4 184 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,0,0,0,0,0|2,0,0]=3 191 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,0,0,0,0,0|0,0,1]=2 197 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,1,0,0,0,0|0,0,3]=4 201 B10R1.22 CC1=C(C=C(C=C1Cl)S)Cl CNP0108382.0 [0,1,0,0,0,0|1,1,0]=3 202 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,1,0,0,0,0|0,0,0]=1 222 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,1,0,0,0,0|0,0,0]=1 223 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.22 CC1=CC(=CC(=[N+]1[O-])C)Cl CNP0584434.0 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.22 CC1=CC(=NC(=C1N)Cl)Cl CNP0023634.0 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,1,0,0,0,0|1,0,1]=3 232 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.22 CN1C=C(C=C(C1=O)Br)Br CNP0224301.0 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.22 NC1=C(C=C(C=C1Br)Br)Br CNP0057961.0 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.22 NC1=C(C=C(C=C1Cl)Cl)Cl CNP0036320.0 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.22 O=C1C=C(C(=O)C(=C1)Br)Br CNP0157909.0 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,1,0,0,0,0|1,0,1]=3 256 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,1,0,0,0,0|1,0,1]=3 257 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,1,0,0,0,0|1,0,1]=3 261 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,1,0,0,0,0|1,0,1]=3 262 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,1,0,0,0,0|1,0,0]=2 263 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,1,0,0,0,0|2,0,1]=4 265 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,1,0,0,0,0|1,0,0]=2 267 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.25 CCC1=CN=C(N=C1O)O CNP0514605.0 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,1,0,0,0,0|0,0,0]=1 274 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,1,0,0,0,0|1,0,0]=2 277 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [0,1,0,0,0,0|1,0,1]=3 280 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,1,0,0,0,0|1,0,1]=3 282 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,1,0,0,0,0|1,0,1]=3 283 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.25 OCC1=CN=C(N=C1O)O CNP0334383.0 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,1,0,0,0,0|1,0,1]=3 286 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,1,0,0,0,0|1,0,1]=3 287 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,1,0,0,0,0|1,0,1]=3 289 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,1,0,0,0,0|1,0,0]=2 290 B10R1.30 CC1=CC=[N+](C=C1C#N)[O-] CNP0495146.0 [0,1,0,0,0,0|1,0,2]=4 291 B10R1.30 CC1=CC=[N+](C=C1CO)[O-] CNP0579255.0 [0,1,0,0,0,0|1,0,1]=3 292 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,1,0,0,0,0|0,0,0]=1 294 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,1,0,0,0,0|1,0,1]=3 297 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.30 CCN1C=C(C=CC1=O)Br CNP0062545.0 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.30 CN1C=CC(=O)C=C1C#N CNP0198738.0 [0,1,0,0,0,0|1,0,2]=4 301 B10R1.30 CN=C1NC(=NC=C1O)O CNP0566412.0 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,1,0,0,0,0|1,0,1]=3 308 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [0,1,0,0,0,0|1,0,1]=3 311 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,1,0,0,0,0|1,0,1]=3 313 B10R1.30 O=C1OC=C(C=C1CO)O CNP0541420.0 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,1,0,0,0,0|1,0,1]=3 315 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.118 BrC1=C(C=C(C(=C1)Br)Br)Br CNP0049506.0 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,1,0,0,0,0|1,0,0]=2 319 B10R1.118 CC1=C(N=C(C(=N1)C)C)C CNP0327107.0 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [0,1,0,0,0,0|1,0,0]=2 322 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,1,0,0,0,0|0,0,0]=1 323 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [0,1,0,0,0,0|1,0,0]=2 325 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [0,1,0,0,0,0|1,0,1]=3 327 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [0,1,0,0,0,0|1,0,0]=2 328 B10R1.118 CC1=CN(C(=O)N=C1O)C CNP0516273.0 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.118 CN1C=C(C(=N)N=C1O)O CNP0608830.0 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.118 CN1C=C(C(=NC1=O)N)O CNP0504050.0 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.118 OC1=C(C=C(C(=C1)O)O)O CNP0611719.0 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.118 OC1=CC(=C(C=C1Cl)O)Cl CNP0067457.0 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.118 OC1=CC(=C(C=C1O)Br)Br CNP0556999.0 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.118 OC1=NC(=C(C=C1Cl)Cl)Cl CNP0363725.0 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,1,0,0,0,0|1,0,1]=3 339 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,1,0,0,0,0|1,0,1]=3 340 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [0,1,0,0,0,0|1,0,1]=3 341 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,1,0,0,0,0|1,0,0]=2 342 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,1,0,0,0,0|1,0,0]=2 343 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,1,0,0,0,0|1,0,0]=2 344 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,1,0,0,0,0|1,0,0]=2 345 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,1,0,0,0,0|1,0,0]=2 346 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,1,0,0,0,0|0,0,0]=1 347 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,1,0,0,0,0|1,1,0]=3 348 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,1,0,0,0,0|1,0,0]=2 349 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.119 CC1=CN=C(N(C1=O)C)O CNP0559149.0 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)Cl CNP0445745.0 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.119 NC1=CC=C(C(=C1Br)N)Br CNP0090854.0 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.119 OC1=CC=C(C(=C1Br)Br)Br CNP0133044.0 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,1,0,0,0,0|1,0,0]=2 360 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,1,0,0,0,0|1,0,1]=3 362 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,1,0,0,0,0|1,0,1]=3 363 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,1,0,0,0,0|1,0,0]=2 364 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,1,0,0,0,0|1,0,0]=2 365 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,1,0,0,0,0|0,0,0]=1 366 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,1,0,0,0,0|1,0,0]=2 368 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.176 CN1C=C(C=CC1=O)C#N CNP0276736.0 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,1,0,0,0,0|1,0,0]=2 375 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,1,0,0,0,0|1,0,0]=2 376 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,1,0,0,0,0|1,0,0]=2 377 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,1,0,0,0,0|2,0,1]=4 387 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.1 CC=CS[S+](O)C=CC CNP0334165.0 [0,0,1,0,0,0|2,0,0]=3 390 B8R0.1 CC=CS[S+]([O-])C=CC CNP0500005.0 [0,0,1,0,0,0|2,0,1]=4 391 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,0,1,0,0,0|3,0,0]=4 392 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,0,1,0,0,0|2,0,0]=3 393 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,0,1,0,0,0|2,0,0]=3 394 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,0,1,0,0,0|1,0,2]=4 395 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,0,1,0,0,0|1,0,2]=4 396 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,0,1,0,0,0|3,0,0]=4 397 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,0,1,0,0,0|2,0,0]=3 398 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,0,1,0,0,0|2,0,1]=4 399 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,0,1,0,0,0|3,0,0]=4 400 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,0,1,0,0,0|1,0,2]=4 401 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,0,0,0,1,0|3,0,0]=4 402 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,0,0,0,1,0|2,0,0]=3 403 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,0,0,0,1,0|2,0,0]=3 404 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,0,0,0,1,0|3,0,0]=4 405 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,0,0,0,1,0|0,0,3]=4 406 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,0,0,0,1,0|2,0,1]=4 407 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,0,0,0,1,0|2,0,1]=4 408 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,0,0,0,1,0|2,0,1]=4 409 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,0,0,0,1,0|2,0,1]=4 410 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,0,0,0,1,0|2,0,1]=4 411 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,0,0,0,1,0|3,0,0]=4 412 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,0,0,0,1,0|3,0,0]=4 413 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,0,0,0,1,0|3,0,0]=4 414 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,0,1,0|0,0,3]=4 415 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,0,0,0,1,0|1,0,1]=3 416 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,0,0,0,1,0|1,0,2]=4 417 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,0,0,0,1,0|2,0,0]=3 418 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [0,0,0,0,1,0|3,0,0]=4 419 B10R1.332 CC1=C(C=CC(=O)C=C1)Cl CNP0070609.0 [0,0,0,0,0,1|1,0,1]=3 420 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|0,0,2]=4 421 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|0,0,2]=4 422 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|0,0,0]=2 423 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|0,0,2]=4 424 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,0,1,0,0,0|0,0,2]=4 425 B7R0.1 CC=CSSC=CC CNP0204440.0 [1,0,1,0,0,0|2,0,0]=4 426 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|1,0,1]=4 427 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,1,0,0,0|0,0,2]=4 428 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|2,0,0]=4 429 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,1,0,0,0|1,0,0]=3 430 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [1,0,1,0,0,0|0,0,2]=4 431 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,0,1,0,0,0|0,0,2]=4 432 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [1,0,1,0,0,0|0,0,2]=4 433 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,0,1,0,0,0|1,0,1]=4 434 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [1,0,1,0,0,0|0,0,2]=4 435 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|1,0,0]=3 436 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|0,0,2]=4 437 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|1,0,0]=3 438 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [1,0,1,0,0,0|1,0,1]=4 439 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,1,0,0,0|1,0,1]=4 440 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,0,1,0,0,0|2,0,0]=4 441 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,1,0,0,0|1,0,1]=4 442 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,0,1,0,0,0|1,0,1]=4 443 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,0,1,0,0,0|1,0,1]=4 444 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 445 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,2]=4 446 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,0]=2 447 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 448 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|0,0,2]=4 449 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 450 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,0]=3 451 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 452 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|0,0,2]=4 453 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|2,0,0]=4 454 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 455 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 456 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,0]=3 457 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [2,0,0,0,0,0|2,0,0]=4 458 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 459 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 460 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 461 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 462 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 463 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 464 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 465 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 466 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 467 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,2]=4 468 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 469 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,1]=4 470 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,1]=4 471 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,1]=4 472 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,0]=2 473 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 474 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 475 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,0]=3 476 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 477 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 478 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,1,0,0,0|0,0,2]=4 479 B9R0.8 CC=CC=C(C)C(=CC)C CNP0284746.0 [0,1,1,0,0,0|1,0,0]=3 480 B9R0.34 CC=CC(=CC(=CC)C)C CNP0404267.0 [0,1,1,0,0,0|1,0,0]=3 481 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,1,1,0,0,0|1,0,0]=3 482 B9R0.7 C=C(C)C=CC(C)C(=C)C CNP0224725.0 [0,1,1,0,0,0|1,0,1]=4 483 B9R0.47 C=CC=CCC(=C(C)C)C CNP0608385.0 [0,1,1,0,0,0|1,0,1]=4 484 B9R0.43 CC=C(C=CC(=O)N)CC CNP0192720.0 [0,1,1,0,0,0|1,0,1]=4 485 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,1,0,0,0,0|0,0,1]=3 487 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|0,0,1]=3 489 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,1,0,0,0,0|0,0,0]=2 490 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,1,0,0,0,0|0,0,1]=3 491 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,1,0,0,0,0|0,0,1]=3 492 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|1,0,0]=3 494 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|0,0,0]=2 497 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|0,0,0]=2 502 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|0,0,0]=2 503 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|0,0,0]=2 505 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,1,0,0,0,0|0,0,1]=3 508 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,1,0,0,0,0|0,0,0]=2 512 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|0,0,1]=3 513 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,1,0,0,0,0|0,0,0]=2 516 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|0,0,1]=3 520 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|1,0,0]=3 521 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|1,0,1]=4 523 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|1,0,1]=4 525 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|0,0,0]=2 528 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|0,0,0]=2 535 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|0,0,0]=2 538 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 C[N+]1=CC=CC(=C1)C#N CNP0552740.0 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|0,0,1]=3 542 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|0,0,0]=2 543 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|0,0,1]=3 545 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|0,0,0]=2 547 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [1,1,0,0,0,0|0,0,0]=2 561 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [1,1,0,0,0,0|0,0,0]=2 563 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [1,1,0,0,0,0|0,0,0]=2 565 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [1,1,0,0,0,0|0,0,1]=3 567 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [1,1,0,0,0,0|1,0,0]=3 581 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [1,1,0,0,0,0|1,0,0]=3 584 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [1,1,0,0,0,0|0,0,0]=2 585 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [1,1,0,0,0,0|0,0,0]=2 586 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [1,1,0,0,0,0|0,1,0]=3 587 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [1,1,0,0,0,0|1,1,0]=4 594 B9R1.34 ClC1=CC(=CC(=C1)Cl)Cl CNP0491812.0 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.34 NC1=CC(=CC(=C1)N)N CNP0518662.0 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.34 OC1=CC(=CC(=C1)Cl)Cl CNP0017796.0 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.34 OC1=CC(=CC(=C1)O)O CNP0299558.0 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|0,0,1]=3 599 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|1,0,1]=4 600 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|0,0,1]=3 601 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|0,0,1]=3 602 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|0,0,0]=2 603 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|0,0,0]=2 604 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|0,0,0]=2 609 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|0,0,0]=2 617 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|1,0,1]=4 628 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|1,0,1]=4 632 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|1,0,1]=4 633 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|0,0,1]=3 637 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,1,0,0,1,0|1,0,1]=4 638 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,1,0,0,1,0|2,0,0]=4 639 B9R1.23 CC1=CC(=NC1=O)NO CNP0608993.0 [0,1,0,0,1,0|2,0,0]=4 640 B9R1.23 CC1=CC(=NN1C)CO CNP0062885.0 [0,1,0,0,1,0|2,0,0]=4 641 B9R1.23 CC1=CC(=NO)NC1=O CNP0278916.0 [0,1,0,0,1,0|2,0,0]=4 642 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,1,0,0,1,0|1,0,1]=4 643 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,1,0,0,1,0|2,0,0]=4 644 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,1,0,0,1,0|0,0,2]=4 645 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,1,0,0,1,0|2,0,0]=4 646 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,1,0,0,1,0|1,0,1]=4 647 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,1,0,0,1,0|2,0,0]=4 648 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,1,0,0,1,0|2,0,0]=4 649 B9R1.138 CC1=C(C(C=C1)(C)C)C CNP0350269.0 [0,1,0,0,1,0|1,0,1]=4 650 B11R1.499 CC1=CC=CC(=O)C(=C1O)O CNP0441519.0 [0,1,0,0,0,1|1,0,1]=4 651 B11R1.499 O=C1C(=CC=CC(=C1O)O)O CNP0509109.0 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.499 O=C1C=CC=C(C(=C1O)O)O CNP0343359.0 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.655 CC1=C(C=C(C(=O)C=C1)O)C CNP0472107.0 [0,1,0,0,0,1|0,0,0]=2 654 B11R1.8 CC1=C(C=C(C=C1NO)N)N CNP0502603.0 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.8 COC1=C(C(=O)OC(=C1)C)C CNP0157461.0 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.8 COC1=CC(=CC(=C1C)O)C CNP0174177.0 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.8 COC1=CC(=CC(=C1C)O)O CNP0262935.0 [0,2,0,0,0,0|0,0,0]=2 658 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.8 COC1=CC(=O)C=C(C1=O)C CNP0357550.0 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.8 O=C1C=C(C(=O)C(=C1)CO)Cl CNP0274303.0 [0,2,0,0,0,0|1,0,1]=4 664 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.14 CC1=CC(=CC(=C1O)C)C=O CNP0331607.0 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.14 COC1=CC(=C(C(=C1)Br)O)Br CNP0419946.0 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C CNP0205664.0 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.14 COC1=CC(=C(C(=C1)C)O)C CNP0227213.0 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.14 COC1=CC(=C(C(=C1)Cl)O)Cl CNP0210331.0 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.14 COC1=CC(=C(C(=C1)O)C)O CNP0312414.0 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.14 COC1=CC(=[N+](C(=C1)C)[O-])C CNP0605512.0 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)Br CNP0322070.0 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)O CNP0347203.0 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.14 OCC1=CC(=C(C(=C1)Cl)O)O CNP0147248.0 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.14 OCC1=CC(=C(C(=C1)O)O)O CNP0196506.0 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.32 CC1=C(C(=C(C(=O)O1)C)O)C CNP0208216.0 [0,2,0,0,0,0|1,0,1]=4 679 B11R1.32 CC1=C(C(=CC(=C1Cl)O)O)Cl CNP0430106.0 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.32 CC1=C(C(=O)C(=CC1=O)O)O CNP0111158.0 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.32 CC1=C(C(=O)C=C(C1=O)O)O CNP0221051.0 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.32 CC1=C(C=C(C(=C1O)C)O)O CNP0149570.0 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.32 CC1=CC(=C(C(=C1C)Br)C)C CNP0228587.0 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C CNP0094730.0 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.32 CC1=CC(=C(C(=C1C)C)C)Br CNP0068892.0 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.32 CC1=CC(=C(C(=C1C)C)O)C CNP0205719.0 [0,2,0,0,0,0|0,0,0]=2 687 B11R1.32 CC1=CC(=C(C(=C1C)C)O)O CNP0288515.0 [0,2,0,0,0,0|0,0,0]=2 688 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C CNP0069313.0 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.32 CC1=CC(=C(C(=C1C)O)C)C CNP0212055.0 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.32 CC1=CC(=C(C(=C1C)O)C)O CNP0324335.0 [0,2,0,0,0,0|0,0,0]=2 691 B11R1.32 CC1=CC(=C(C(=C1I)C)I)C CNP0030832.0 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.32 CC1=CC(=C(C(=C1N)C)N)C CNP0600092.0 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.32 CC1=CC(=C(C(=C1O)C)C)O CNP0086369.0 [0,2,0,0,0,0|1,0,0]=3 694 B11R1.32 CC1=CC(=C(C(=C1O)O)O)O CNP0166636.0 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C CNP0313155.0 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)C CNP0231654.0 [0,2,0,0,0,0|1,0,1]=4 697 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)O CNP0207805.0 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.32 OC1=CC(=C(C(=C1Br)Br)O)Br CNP0046080.0 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.32 OC1=CC(=C(C(=C1Br)O)Br)O CNP0236193.0 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.32 OC1=CC(=C(C(=C1Cl)Cl)O)Cl CNP0083797.0 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.32 OC1=CC(=C(C(=C1Cl)O)Br)O CNP0178904.0 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.32 OC1=CC(=C(C(=C1O)O)Br)O CNP0437743.0 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [0,2,0,0,0,0|1,0,1]=4 704 B11R1.464 CC1=CC(=C(C(=C1)C)N=O)C CNP0216799.0 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.464 CC1=CC(=CC(=C1C=O)O)O CNP0115622.0 [0,2,0,0,0,0|0,0,1]=3 706 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [0,2,0,0,0,0|0,0,0]=2 708 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.464 COC1=C(C=C(C=C1Br)Br)Br CNP0126610.0 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.464 COC1=C(C=C(C=C1Br)Br)O CNP0097750.0 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.464 COC1=C(C=C(C=C1Br)O)Br CNP0178459.0 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.464 COC1=C(C=C(C=C1Cl)Cl)Cl CNP0178727.0 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.464 O=CC1=C(C=C(C=C1O)O)O CNP0198826.0 [0,2,0,0,0,0|1,0,1]=4 716 B11R1.553 CC1(C(=O)C=C(C=C1O)O)C CNP0256281.0 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [0,2,0,0,0,0|0,0,1]=3 718 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,2,0,0,0,0|0,0,0]=2 720 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [0,2,0,0,0,0|0,0,1]=3 722 B11R1.37 COC1=CC(=O)C=CC1=[N+]=[N-] CNP0510276.0 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,2,0,0,0,0|0,0,1]=3 724 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [0,2,0,0,0,0|0,0,0]=2 727 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|0,0,0]=2 738 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,2,0,0,0,0|0,0,1]=3 742 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,2,0,0,0,0|0,0,0]=2 743 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,2,0,0,0,0|1,0,1]=4 749 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,2,0,0,0,0|1,0,1]=4 750 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,2,0,0,0,0|1,0,1]=4 751 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [0,2,0,0,0,0|0,0,1]=3 753 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [0,2,0,0,0,0|0,0,0]=2 754 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.277 CC1=CC(=NO)C(=CC1=O)C CNP0294852.0 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.277 CC1=NC(=C(N=C1C)CO)C CNP0075676.0 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [0,2,0,0,0,0|0,0,0]=2 759 B11R1.277 CCC1=CC(=O)C(=CC1=O)C CNP0227006.0 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,2,0,0,0,0|0,0,0]=2 762 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.277 O=CC1=CC(=C(C=C1Br)O)O CNP0158213.0 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.278 CC1=C(C(=NO)C=CC1=O)C CNP0222665.0 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [0,2,0,0,0,0|1,0,1]=4 769 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [0,2,0,0,0,0|0,0,1]=3 770 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [0,2,0,0,0,0|0,0,1]=3 771 B11R1.278 CC1=NC=C(C(=C1O)C)CO CNP0346238.0 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.278 COC1=C(N(C(=O)C=C1)O)C CNP0329943.0 [0,2,0,0,0,0|1,0,1]=4 774 B11R1.278 COC1=C(N(C(=O)C=C1)[O-])C CNP0494378.0 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.278 COC1=CC=C(C(=C1Br)C)Cl CNP0611848.0 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.278 COC1=CC=C(C(=C1C)C)Br CNP0059488.0 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [0,2,0,0,0,0|0,0,2]=4 782 B11R1.279 CC1=CC(=CC=C1N=O)N=O CNP0373828.0 [0,2,0,0,0,0|1,0,1]=4 783 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [0,2,0,0,0,0|1,0,1]=4 784 B11R1.279 CC1=CC(=NO)C=CC1=NO CNP0317320.0 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,2,0,0,0,0|0,0,0]=2 789 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [0,2,0,0,0,0|0,0,1]=3 796 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [0,2,0,0,0,0|1,0,1]=4 797 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,2,0,0,0,0|1,0,0]=3 798 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.72 C=CC1=C(C=CC(=C1C)O)O CNP0119904.0 [0,2,0,0,0,0|1,0,0]=3 804 B11R1.72 CC1=CC=C(C(=C1C#N)C)Br CNP0263714.0 [0,2,0,0,0,0|1,0,1]=4 805 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,2,0,0,0,0|1,0,1]=4 807 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.72 CN1C=CC(=C(C1=O)C#N)O CNP0365874.0 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,2,0,0,0,0|1,0,1]=4 810 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [0,2,0,0,0,0|1,0,0]=3 812 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,2,0,0,0,0|0,0,1]=3 822 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.280 COC1=CC=C(C(=N1)OC)N CNP0606366.0 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.280 O=C1C=CC(=CC1=NO)CO CNP0510804.0 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,2,0,0,0,0|0,0,1]=3 851 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,2,0,0,0,0|1,0,1]=4 853 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [0,2,0,0,0,0|1,0,1]=4 855 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,2,0,0,0,0|0,0,1]=3 858 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,2,0,0,0,0|0,0,0]=2 859 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [0,2,0,0,0,0|1,0,0]=3 860 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,2,0,0,0,0|0,0,0]=2 861 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.192 ON=CC1=CC=C(C(=C1)Cl)Cl CNP0052096.0 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.192 ON=CC1=CC=C(C(=C1)O)O CNP0372159.0 [0,2,0,0,0,0|2,0,0]=4 881 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,0,1,1,0,0|2,0,0]=4 882 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,0,1,1,0,0|1,0,1]=4 883 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,0,1,1,0,0|2,0,0]=4 884 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,1,1,0,0|1,0,1]=4 885 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,1,1,0,0|1,0,1]=4 886 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|0,0,0]=2 887 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [1,0,0,1,0,0|0,0,2]=4 888 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [0,1,0,1,0,0|1,0,0]=3 889 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,1,0,1,0,0|1,0,1]=4 890 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,1,0,1,0,0|1,0,0]=3 891 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,1,0,1,0,0|2,0,0]=4 892 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,1,0,1,0,0|0,0,2]=4 893 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,1,0,1,0,0|0,0,1]=3 894 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|0,0,0]=2 895 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,1,0,1,0,0|0,0,2]=4 896 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [0,1,0,1,0,0|1,0,1]=4 897 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,1,0,1,0,0|0,0,0]=2 898 B11R2.36 OC1=CC=C2NN=NC2=C1 CNP0361868.0 [0,1,0,1,0,0|2,0,0]=4 899 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,1,0,1,0,0|0,0,2]=4 900 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,1,0,1,0,0|0,0,0]=2 901 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,1,0,1,0,0|1,0,0]=3 902 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|1,0,1]=4 903 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|1,0,1]=4 904 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [0,1,0,1,0,0|0,0,0]=2 905 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,1,0,1,0|1,0,1]=4 906 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,0,0,0,1,0|1,1,0]=4 907 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,0,0,0,1,0|1,1,0]=4 908 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,0,0,0,1,0|2,0,0]=4 909 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,0,1,0|2,0,0]=4 910 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,0,1,0|2,0,0]=4 911 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,0,1,0|2,0,0]=4 912 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,0,0,0,1,0|2,0,0]=4 913 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,0,0,0,1,0|2,0,0]=4 914 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,0,0,0,1,0|1,1,0]=4 915 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,0,0,0,1,0|1,1,0]=4 916 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,0,1,0|2,0,0]=4 918 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,0,0,0,1,0|2,0,0]=4 920 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,0,2,0|2,0,0]=4 921 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,0,1,0,0,1|1,0,1]=4 922 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [0,0,1,0,0,1|1,0,1]=4 923 B9R0.53 C=C(C)C=C(C)CC(=C)C CNP0509803.0 [0,0,1,0,0,1|1,0,0]=3