0 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.8 C1=CC=C(C=C1)CCN S5346 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.8 C1=CC=C(C=C1)CCN S5347 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.8 C1=CC=C(C=C1)CCO S3703 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.2 C1=CC=C(C=C1)C=O S5574 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.2 C1=CC=C(C=C1)CO S4600 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.2 C1=CC=C(C=C1)CO S4600 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [0,1,0,0,0,0|0,0,0]=1 8 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [0,1,0,0,0,0|1,0,2]=4 13 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.17 CNCCC1=CC=CC=N1 S3176 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.17 CNCCC1=CC=CC=N1 S3176 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.17 CNCCC1=CC=CC=N1 S5498 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.17 CNCCC1=CC=CC=N1 S5619 [0,1,0,0,0,0|1,0,0]=2 19 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [0,0,0,1,0,0|0,0,2]=3 20 B8R1.8 C1=C(NC=N1)CCN S3968 [0,0,0,0,1,0|2,0,0]=3 21 B8R1.8 C1=C(NC=N1)CCN S4117 [0,0,0,0,1,0|2,0,0]=3 22 B8R1.8 C1=C(NC=N1)CCN S4118 [0,0,0,0,1,0|2,0,0]=3 23 B8R1.8 C1=C(NC=N1)CCN S4118 [0,0,0,0,1,0|2,0,0]=3 24 B8R1.8 C1=C(NN=C1)CCN S6612 [0,0,0,0,1,0|2,0,0]=3 25 B8R1.8 C1=C(NN=C1)CCN S6612 [0,0,0,0,1,0|2,0,0]=3 26 B7R1.3 C1=CC(=O)NC=C1 S6360 [2,0,0,0,0,0|2,0,0]=4 27 B7R1.3 C1=CN=CC=C1N S5028 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [1,1,0,0,0,0|1,0,1]=4 29 B9R1.1 C1=CC(=CC=C1CO)O S3857 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.1 CCC1=CC=C(C=C1)O S6308 [1,1,0,0,0,0|0,0,0]=2 31 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,1,0,0,0,0|1,0,0]=3 33 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,1,0,0,0,0|1,0,1]=4 36 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [1,1,0,0,0,0|0,0,1]=3 37 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,1,0,0,0,0|0,0,1]=3 38 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,1,0,0,0,0|0,0,1]=3 39 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [1,1,0,0,0,0|0,0,1]=3 45 B9R1.6 CC(C1=CC=CC=C1)N S6260 [1,1,0,0,0,0|0,0,0]=2 46 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.15 COC1=CC=CC=C1O S3872 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.1 C1=CC(=CC=C1CCCO)O S5835 [0,2,0,0,0,0|1,0,0]=3 49 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,2,0,0,0,0|1,0,1]=4 51 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,2,0,0,0,0|1,0,1]=4 52 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,2,0,0,0,0|0,0,0]=2 53 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,2,0,0,0,0|0,0,0]=2 54 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.83 COC1=CC=C(C=C1)CC=C S5339 [0,2,0,0,0,0|1,0,1]=4 56 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,2,0,0,0,0|0,0,0]=2 57 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,2,0,0,0,0|0,0,0]=2 58 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O S6154 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O S9003 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.36 CC(C1=CC=CC=C1)C(=O)O S6321 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.36 OC(O)C(=O)C1=CC=CC=C1 S5425 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.28 C1=CC=C(C=C1)COCCO S1660 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.91 C1=CC=C(C=C1)CCC(=O)O S6254 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.91 CC(=O)CCC1=CC=CC=C1 S9376 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [0,2,0,0,0,0|2,0,0]=4 70 B11R2.36 C1=CC2=C(C=CN2)C=C1Br S5439 [0,1,0,1,0,0|0,0,2]=4 71 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S3626 [0,1,0,1,0,0|2,0,0]=4 72 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 S5575 [0,1,0,1,0,0|1,0,1]=4 73 B11R2.10 C1C2=CC=CC=C2NC1=O S4861 [0,1,0,1,0,0|0,0,1]=3 74 B11R2.1 C1CC(=O)C2=CC=CC=C21 S9346 [0,1,0,1,0,0|1,0,0]=3 75 B11R2.1 CC1=CNC2=CC=CC=C12 S4959 [0,1,0,1,0,0|0,0,2]=4 76 B11R2.4 C1C(C1N)C2=CC=CC=C2 S4246 [0,1,0,1,0,0|0,0,0]=2 77 B11R2.4 C1C(C1N)C2=CC=CC=C2 S9464 [0,1,0,1,0,0|0,0,0]=2