0 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [0,0,0,0,0,0|0,0,2]=2 14 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [0,0,0,0,0,0|0,1,1]=2 15 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [0,0,0,0,0,0|0,0,0]=0 17 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,0,0,0,0,0|0,0,2]=3 25 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,0,0,0,0,0|0,0,0]=1 26 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,0,0,0,0,0|0,0,0]=1 42 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,0,0,0,0,0|2,1,0]=4 44 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,0,0,0,0,0|0,0,2]=3 51 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,0,0,0,0,0|0,0,0]=1 54 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.3 CC(C)C1=CC=C(CC1)CO CNP0003449.0 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.3 CC(C)C1=CCC(=CC1)CO CNP0359351.0 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.3 CC(C)C1C=CC(=CC1)CO CNP0077140.0 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,1,0,0,0,0|0,0,2]=3 73 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,1,0,0,0,0|0,0,2]=3 74 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,1,0,0,0,0|0,0,1]=2 76 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,1,0,0,0,0|0,0,2]=3 92 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,1,0,0,0,0|0,0,2]=3 96 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [0,1,0,0,0,0|0,0,1]=2 100 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,1,0,0,0,0|0,0,1]=2 101 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.279 CC1=CC(=NO)C=CC1=NO CNP0317320.0 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.279 COC1=CC=C(C(=N1)N)N=O CNP0131979.0 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [0,1,0,0,0,0|0,0,2]=3 118 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [0,1,0,0,0,0|0,0,2]=3 120 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [0,1,0,0,0,0|0,0,2]=3 121 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [0,1,0,0,0,0|0,0,2]=3 123 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.279 COC1=NC=C(C(=N)N1)CO CNP0364997.0 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.279 COC1=NC=C(C(=N1)N)CO CNP0578030.0 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [0,1,0,0,0,0|2,0,0]=3 129 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,0,0,0,1,0|1,0,2]=4 131 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [0,0,0,0,1,0|3,0,0]=4 132 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,0,0,0,1,0|3,0,0]=4 133 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,0,0,0,1,0|3,0,0]=4 134 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,0,0,0,1,0|3,0,0]=4 135 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [1,0,1,0,0,0|2,0,0]=4 136 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [1,0,1,0,0,0|2,0,0]=4 137 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|1,0,1]=4 138 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|1,0,1]=4 139 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,0]=3 140 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|0,0,0]=2 145 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|0,0,1]=3 148 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|0,1,0]=3 150 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 151 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 152 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 153 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 156 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,2]=4 157 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,1]=4 158 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,0]=2 159 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [2,0,0,0,0,0|0,0,2]=4 160 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,0]=3 161 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,1]=4 163 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,0]=3 164 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|1,1,0]=4 165 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|1,1,0]=4 166 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,0]=2 167 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|0,0,2]=4 170 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|0,0,0]=2 172 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|0,0,0]=2 175 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|0,1,0]=3 176 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|1,0,0]=3 178 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|1,0,0]=3 181 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|1,0,1]=4 184 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|1,0,0]=3 190 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [2,0,0,0,0,0|1,0,1]=4 191 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|0,0,2]=4 192 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|1,0,0]=3 195 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|0,0,0]=2 196 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|0,1,0]=3 197 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [2,0,0,0,0,0|1,0,0]=3 198 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|0,0,1]=3 201 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,1]=3 202 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [1,1,0,0,0,0|0,1,1]=4 203 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|0,0,0]=2 208 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|0,0,0]=2 210 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|0,0,0]=2 212 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [1,1,0,0,0,0|0,1,1]=4 214 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,1]=3 218 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|0,0,0]=2 219 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|0,0,1]=3 222 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|0,0,2]=4 236 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|0,0,2]=4 237 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|0,0,1]=3 239 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|0,0,0]=2 242 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|0,0,0]=2 245 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|0,0,0]=2 246 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|0,0,2]=4 247 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|0,0,1]=3 250 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|0,0,2]=4 252 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|0,0,2]=4 255 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|0,0,2]=4 261 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|0,0,0]=2 263 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|0,0,2]=4 265 B10R1.25 CC1=NC=C(C(=N)N1)CO CNP0546737.0 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.25 CC1=NC=C(C(=N1)N)CO CNP0300516.0 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|0,0,0]=2 276 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|0,0,0]=2 277 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|0,0,0]=2 278 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|0,0,2]=4 282 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.25 OCC1=CN=C(N=C1O)O CNP0334383.0 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|0,0,2]=4 287 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|0,0,0]=2 299 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.96 COCC1=CC=C(O1)CO CNP0227446.0 [0,1,0,0,1,0|1,0,0]=3 313 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [0,2,0,0,0,0|1,0,1]=4 314 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,2,0,0,0,0|0,0,0]=2 315 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,2,0,0,0,0|0,0,0]=2 316 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|1,0,0]=3 318 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|0,0,0]=2 320 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|0,0,0]=2 321 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,2,0,0,0,0|1,0,1]=4 322 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N CNP0062891.0 [0,2,0,0,0,0|1,0,1]=4 323 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [0,2,0,0,0,0|0,0,2]=4 324 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,2,0,0,0,0|0,0,1]=3 325 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,2,0,0,0,0|0,0,1]=3 326 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,2,0,0,0,0|0,0,2]=4 327 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,2,0,0,0,0|0,0,0]=2 328 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [0,2,0,0,0,0|0,0,2]=4 329 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [0,2,0,0,0,0|0,0,1]=3 330 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|0,0,0]=2 331 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|0,0,0]=2 332 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN CNP0350013.0 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CO CNP0568507.0 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [0,2,0,0,0,0|0,0,0]=2 335 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N CNP0046229.0 [0,2,0,0,0,0|1,0,1]=4 336 B12R1.48 CC(=O)C1=CC=C(C(=O)O1)CO CNP0139436.0 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [0,2,0,0,0,0|0,0,1]=3 338 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [0,2,0,0,0,0|0,0,1]=3 339 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [0,2,0,0,0,0|0,0,2]=4 340 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,2,0,0,0,0|0,0,2]=4 341 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [0,2,0,0,0,0|0,0,2]=4 342 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [0,2,0,0,0,0|0,0,1]=3 343 B12R1.48 COC1=CC=C(C=C1O)[N+](=O)[O-] CNP0599616.0 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.48 COC1=COC(=CC1=O)C(=O)O CNP0349359.0 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.113 CC(C)C1=CC=C(C=C1)C=NO CNP0403827.0 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,2,0,0,0,0|0,0,1]=3 352 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CNP0230094.0 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.113 CN(C)C1=CC=C(C=C1)C=NO CNP0050062.0 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [0,2,0,0,0,0|0,1,0]=3 355 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.256 C=C(C)C1=CC=C(C=C1)C(C)C CNP0084857.0 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O CNP0089019.0 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,2,0,0,0,0|0,0,1]=3 365 B12R1.452 COC1=CC=C(C(=C1)C)[N+](=O)[O-] CNP0580280.0 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.452 COC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0479154.0 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,2,0,0,0,0|0,0,2]=4 368 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,2,0,0,0,0|0,0,2]=4 369 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,2,0,0,0,0|0,0,1]=3 370 B12R1.452 C[C@@H](O)C1=COC(=CC1=O)CO CNP0212626.1 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,2,0,0,0,0|0,0,2]=4 374 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,2,0,0,0,0|0,0,2]=4 375 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,2,0,0,0,0|0,0,1]=3 379 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,2,0,0,0,0|0,0,1]=3 380 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,2,0,0,0,0|0,0,0]=2 381 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,2,0,0,0,0|0,0,2]=4 384 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,2,0,0,0,0|0,1,1]=4 385 B12R1.4 N=C(N)NC1=CC=C(C=C1)CO CNP0583861.0 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.71 C#CCOC1=CC=C(C=C1)C=O CNP0167326.0 [0,2,0,0,0,0|0,0,2]=4 387 B12R1.71 CCC1=CC=C(C=C1)OCOC CNP0037548.0 [0,2,0,0,0,0|1,0,0]=3 388 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.71 COC1=CC=C(C=C1)C=CC#N CNP0327482.0 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,2,0,0,0,0|0,0,2]=4 392 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,2,0,0,0,0|0,0,0]=2 393 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.71 COC1=CC=C(C=C1)CN=C=S CNP0188935.0 [0,2,0,0,0,0|0,1,0]=3 395 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.71 COC1=CC=C(C=C1)C[N+]=C=S CNP0479456.0 [0,2,0,0,0,0|0,1,0]=3 397 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [0,2,0,0,0,0|0,0,1]=3 398 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.114 CCCC1=CC=C(C=C1C)CC CNP0216673.0 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [0,2,0,0,0,0|0,0,0]=2 402 B12R1.116 BrCCC1=CC=C(C=C1)CCBr CNP0060250.0 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.116 CCCC1=CC=C(C=C1)C[N+]#N CNP0577325.0 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.116 COCC1=CC=C(C=C1)COC CNP0080194.0 [0,2,0,0,0,0|0,0,0]=2 405 B12R1.116 ClCCC1=CC=C(C=C1)CCCl CNP0402607.0 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.116 ICCC1=CC=C(C=C1)CCI CNP0056277.0 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.116 NCCC1=CC=C(C=C1)CCN CNP0445340.0 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.288 CC=CC1=CC=C(C(=C1)O)OC CNP0299210.0 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.288 COC1=CC=C(C=C1Br)CC#N CNP0197630.0 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.288 COC1=CC=C(C=C1O)CCN CNP0246187.0 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.288 COC1=CC=C(C=C1O)CCO CNP0076040.0 [0,2,0,0,0,0|0,0,0]=2 414 B12R1.288 COCC1=CC(=O)C(=CO1)OC CNP0145153.0 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.78 C=CC1=CC=C(C(=C1)OC)OC CNP0198714.0 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.78 C=CC1=CC=C(C=C1OC)OC CNP0270983.0 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.78 CCC1=CC=C(C(=C1)CC)CC CNP0612118.0 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.78 CCC1=CC=C(C(=C1)OC)OC CNP0104859.0 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.78 COC1=CC=C(C(=C1)CN)OC CNP0470145.0 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.78 COC1=CC=C(C(=C1)OC)C#N CNP0189009.0 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.78 COC1=CC=C(C(=C1)OC)C=O CNP0303686.0 [0,2,0,0,0,0|0,0,2]=4 422 B12R1.78 COC1=CC=C(C(=C1)OC)OC CNP0327068.0 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.78 COC1=CC=C(C=C1C=O)C=O CNP0350650.0 [0,2,0,0,0,0|0,0,2]=4 424 B12R1.78 COC1=CC=C(C=C1OC)C=O CNP0216130.0 [0,2,0,0,0,0|0,0,2]=4 425 B12R1.78 COC1=CC=C(C=C1OC)CCl CNP0479327.0 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.78 COC1=CC=C(C=C1OC)CO CNP0202849.0 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.301 C=CC1=CC(=C(C(=C1)O)OC)O CNP0344299.0 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.301 CC1=CC(=CC(=C1C=O)O)CO CNP0539021.0 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.301 CCC1=C(C=C(N=C1C)OC)C CNP0611558.0 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.301 COC1=C(C=C(C=C1Br)C=O)Br CNP0266347.0 [0,2,0,0,0,0|0,0,2]=4 431 B12R1.301 COC1=C(C=C(C=C1Br)C=O)Cl CNP0421884.0 [0,2,0,0,0,0|0,0,2]=4 432 B12R1.301 COC1=C(C=C(C=C1Br)C=O)O CNP0158043.0 [0,2,0,0,0,0|0,0,2]=4 433 B12R1.301 COC1=C(C=C(C=C1Br)CO)O CNP0134246.0 [0,2,0,0,0,0|0,0,0]=2 434 B12R1.301 COC1=C(C=C(C=C1Cl)C=O)Cl CNP0389372.0 [0,2,0,0,0,0|0,0,2]=4 435 B12R1.301 COC1=C(C=C(C=C1Cl)CO)Cl CNP0365104.0 [0,2,0,0,0,0|0,0,0]=2 436 B12R1.301 COC1=C(C=C(C=C1O)C=O)O CNP0109385.0 [0,2,0,0,0,0|0,0,2]=4 437 B12R1.301 COC1=C(C=C(C=C1O)CO)O CNP0164196.0 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.301 COC1=CC(=C(C(=C1)Br)OC)Br CNP0222506.0 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.301 COC1=CC(=C(C(=C1)O)C=O)C CNP0205790.0 [0,2,0,0,0,0|0,0,2]=4 440 B12R1.301 COC1=CC(=C(C(=C1)O)OC)O CNP0238336.0 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.450 COC1=CC(=C(C=C1C)C=O)C CNP0330103.0 [0,2,0,0,0,0|0,0,2]=4 442 B12R1.450 COC1=CC(=C(C=C1Cl)OC)Cl CNP0157378.0 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.450 COC1=CC(=C(C=C1O)C=O)O CNP0579091.0 [0,2,0,0,0,0|0,0,2]=4 444 B12R1.450 COC1=CC(=C(C=C1O)OC)O CNP0571520.0 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.450 COC1=CC(=O)C(=CC1=O)OC CNP0323230.0 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.653 C=CC1=CC=C(C(=C1O)O)OC CNP0422952.0 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.653 COC1=CC=C(C(=C1C)C)C=O CNP0026563.0 [0,2,0,0,0,0|0,0,2]=4 448 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CNP0224833.0 [0,2,0,0,0,0|0,0,2]=4 449 B12R1.653 COC1=CC=C(C(=C1O)O)OC CNP0075796.0 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,0,1,1,0,0|1,0,1]=4 451 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [0,1,0,1,0,0|0,0,0]=2 452 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [0,1,0,1,0,0|0,0,0]=2 453 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 CNP0182366.0 [0,1,0,1,0,0|0,0,2]=4 454 B12R2.44 C=CC1=CC=C2OCOC2=C1 CNP0179510.0 [0,1,0,1,0,0|1,0,1]=4 455 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,1,0,1,0,0|0,0,1]=3 456 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,1,0,1,0,0|1,0,0]=3 457 B12R2.44 COC1=CC=C2N=CNC2=C1 CNP0503942.0 [0,1,0,1,0,0|1,0,1]=4 458 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [0,1,0,1,0,0|1,0,1]=4 459 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,1,0,1,0,0|1,0,1]=4 460 B12R2.44 N#CC1=CC=C2OCOC2=C1 CNP0231839.0 [0,1,0,1,0,0|1,0,1]=4 461 B12R2.44 O=CC1=CC=C2OCOC2=C1 CNP0179491.0 [0,1,0,1,0,0|0,0,2]=4 462 B12R2.44 O=[14CH]C1=CC=C2OCOC2=C1 CNP0519930.0 [0,1,0,1,0,0|0,0,2]=4 463 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,1,0,1,0,0|0,0,1]=3 464 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [0,1,0,1,0,0|0,0,0]=2 465 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,1,0,1,0,0|0,0,1]=3 466 B12R3.283 C1=C2CCC2=CC3=C1CC3 CNP0035763.0 [0,0,0,2,0,0|2,0,0]=4 467 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [1,0,0,0,1,0|1,0,0]=3 468 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [1,0,0,0,1,0|1,1,0]=4 469 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,0,0,0,1,0|2,0,0]=4 470 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,0,0,0,1,0|2,0,0]=4 471 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [1,0,0,0,1,0|2,0,0]=4 472 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [1,0,0,0,1,0|1,1,0]=4 473 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,0,0,0,1,0|1,1,0]=4 474 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [0,0,0,0,1,1|2,0,0]=4 475 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [0,0,0,0,1,1|1,0,0]=3 476 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [0,0,0,0,1,1|1,0,1]=4 477 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [0,0,0,0,1,1|0,0,2]=4 478 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [0,0,0,0,1,1|0,0,0]=2 479 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [0,0,0,0,1,1|2,0,0]=4