0 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.1 C1=CC(=CC=C1CO)O S3857 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 CCC1=CC=C(C=C1)O S6308 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.1 C1=CC(=CC=C1CCCO)O S5835 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.83 CC=CC1=CC=C(C=C1)OC S3779 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.83 CC=CC1=CC=C(C=C1)OC S3779 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.83 CC=CC1=CC=C(C=C1)OC S3990 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.83 COC1=CC=C(C=C1)CC=C S5339 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,1,0,0,0,0|1,0,0]=2 28 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S3626 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.3 C1=CC(=CC=C1Cl)Cl S6300 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.3 C1=CC(=CC=C1O)O S4580 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.3 C1=CC(=CC=C1O)O S4580 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.3 CC1=CC=C(O)C=C1 S6017 [2,0,0,0,0,0|0,0,0]=2 36 B10R1.3 COC1=CC=C(C=C1)C=O S5086 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO S6067 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.176 C1=C(OC=C(C1=O)O)CO S5174 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2362 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 53 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O S3795 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|0,0,0]=2 60 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.69 CCCCC1=C(C=C(C=C1)O)O S4997 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.4 COC1=CC=C(C=C1)CC(=O)O S6273 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O S5639 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr S3678 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S9507 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.286 COC1=C(C=CC(=C1)CC=C)O S4706 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.286 COC1=C(C=CC(=C1)CC=C)O S4706 [0,2,0,0,0,0|1,0,1]=4 77 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|0,0,2]=4 78 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|1,0,0]=3 79 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|1,0,0]=3 80 B8R1.8 C1=C(NC=N1)CCN S3968 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.8 C1=C(NC=N1)CCN S4117 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 83 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 84 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4 85 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4