0 B9R1.1 C#CC1=CC=C(C=C1)Br R0017K [0,0,0,0,0,0|2,0,1]=3 1 B9R1.1 C#CC1=CC=C(C=C1)N R00144 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 C1=CC(=CC=C1CO)Cl R001B3 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.1 C1=CC(=NC=C1Br)CO R001C1 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.1 C1=CC(=NC=C1C#N)Cl R001BU [0,0,0,0,0,0|3,0,1]=4 5 B9R1.1 C1=CC(=NC=C1C=O)Cl R001BR [0,0,0,0,0,0|2,0,2]=4 6 B9R1.1 CC1=CN=C(C=C1)C#N R00115 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.1 CNC1=CC=C(C=C1)Br R000T0 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 COC1=CC=C(C=C1)N R000UY [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 C1=CC(=CN=C1)C#N R0016D [1,0,0,0,0,0|2,0,1]=4 10 B8R1.2 C1=CC(=CN=C1)CCl R00167 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 C1=CC=NC(=C1)C#N R000WD [1,0,0,0,0,0|2,0,1]=4 12 B8R1.2 C1=CC=NC(=C1)C=O R000XZ [1,0,0,0,0,0|1,0,2]=4 13 B8R1.2 C1=CC=NC(=C1)CCl R0011I [1,0,0,0,0,0|2,0,0]=3 14 B8R1.2 C1=CC=NC(=C1)CO R000W3 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.2 C1=CN=CC=C1C#N R00182 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 C1=CN=CC=C1CCl R00181 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 C1=CN=CC=C1CO R00180 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.2 COC1=CC=CC=N1 R0011W [1,0,0,0,0,0|3,0,0]=4 19 B8R1.3 C1=CC(=CC=C1F)Br R0010P [1,0,0,0,0,0|2,0,0]=3 20 B8R1.3 C1=CC(=CC=C1F)S R001A6 [1,0,0,0,0,0|1,1,0]=3 21 B8R1.3 C1=CC(=NC=C1Br)Br R0014P [1,0,0,0,0,0|3,0,0]=4 22 B8R1.3 C1=CC(=NC=C1Br)N R0014N [1,0,0,0,0,0|3,0,0]=4 23 B8R1.3 C1=CC(=NC=C1Cl)N R0014O [1,0,0,0,0,0|3,0,0]=4 24 B8R1.3 C1=CC(=NC=C1F)N R0017T [1,0,0,0,0,0|3,0,0]=4 25 B8R1.3 CC1=CN=C(C=C1)Br R00124 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.3 CC1=CN=C(C=C1)Cl R00129 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.3 CC1=CN=C(C=C1)F R0015W [1,0,0,0,0,0|2,0,0]=3 28 B8R1.3 CC1=CN=C(C=C1)N R0011Z [1,0,0,0,0,0|2,0,0]=3 29 B8R1.3 CC1=NC=C(C=C1)Br R00108 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.3 CC1=NC=C(C=C1)Br R001C3 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.1 C1=CC(=CC=C1CC#N)Cl R001AU [0,1,0,0,0,0|2,0,0]=3 32 B10R1.1 C1=CC(=CC=C1CCO)Cl R001AV [0,1,0,0,0,0|1,0,0]=2 33 B10R1.1 C1=CC(=NC=C1CC#N)Cl R001BT [0,1,0,0,0,0|3,0,0]=4 34 B10R1.3 C#CC1=CC=C(C=C1)C#C R00178 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.3 C#CC1=CC=C(C=C1)CO R0011D [0,1,0,0,0,0|1,0,0]=2 36 B10R1.3 COC1=CN=C(C=C1)OC R0017C [0,1,0,0,0,0|3,0,0]=4 37 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O R000WF [0,1,0,0,0,0|2,0,0]=3 38 B10R1.13 B(C1=CC=C(C=C1)C)(O)O R000VD [0,1,0,0,0,0|2,0,0]=3 39 B10R1.13 B(C1=CC=C(C=C1)Cl)(O)O R000WB [0,1,0,0,0,0|2,0,0]=3 40 B10R1.13 B(C1=CC=C(C=C1)F)(O)O R000VM [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 B(C1=CC=C(C=C1)O)(O)O R000W0 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl R000UZ [0,1,0,0,0,0|2,0,1]=4 43 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O R000VY [0,1,0,0,0,0|1,0,1]=3 44 B10R1.13 C1=CC(=NC=C1Br)C(=O)O R001C2 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.13 C1=CC(=NC=C1C(=O)O)Br R001BJ [0,1,0,0,0,0|2,0,1]=4 46 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl R001BI [0,1,0,0,0,0|2,0,1]=4 47 B10R1.13 C1=CC(=O)C=CC1=C(N)S R000SY [0,1,0,0,0,0|0,1,2]=4 48 B10R1.13 C1=CC(=O)NC=C1C(=O)O R001BX [0,1,0,0,0,0|1,0,2]=4 49 B10R1.13 CC1=NC=C(C=C1)C(=O)O R001BL [0,1,0,0,0,0|2,0,1]=4 50 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O R00107 [0,1,0,0,0,0|1,0,2]=4 51 B10R1.176 CC1=C(C=C(C=C1)C#N)F R000SH [0,1,0,0,0,0|2,0,1]=4 52 B7R1.3 C1=CC(=CN=C1)Br R0016G [2,0,0,0,0,0|2,0,0]=4 53 B7R1.3 C1=CC(=CN=C1)N R0016C [2,0,0,0,0,0|2,0,0]=4 54 B7R1.3 C1=CC(=CN=C1)O R0016E [2,0,0,0,0,0|1,0,0]=3 55 B7R1.3 C1=CC=C(C=C1)Br R0018D [2,0,0,0,0,0|1,0,0]=3 56 B7R1.3 C1=CC=NC(=C1)Br R0014G [2,0,0,0,0,0|2,0,0]=4 57 B7R1.3 C1=CC=NC(=C1)F R0014K [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 C1=CC=NC(=C1)N R0014J [2,0,0,0,0,0|2,0,0]=4 59 B7R1.3 C1=CN=CC=C1Br R00187 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.3 C1=CN=CC=C1N R00183 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.3 C1=CNC=CC1=O R00185 [2,0,0,0,0,0|1,0,1]=4 62 B7R1.3 CC1=CC=CC=N1 R000XX [2,0,0,0,0,0|1,0,0]=3 63 B7R1.3 CC1=CC=NC=C1 R00184 [2,0,0,0,0,0|1,0,0]=3 64 B7R1.3 CC1=CN=CC=C1 R0016F [2,0,0,0,0,0|1,0,0]=3 65 B9R1.2 C1=CC(=CC(=C1)Cl)CCl R00171 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.2 C1=CC(=CC(=C1)O)C=O R000SR [1,1,0,0,0,0|0,0,2]=4 67 B9R1.2 C1=CN=C(C=C1CO)Cl R00147 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.2 CC1=NC(=CC=C1)CCl R0014F [1,1,0,0,0,0|2,0,0]=4 69 B9R1.2 CC1=NC(=CC=C1)CO R001BE [1,1,0,0,0,0|1,0,0]=3 70 B9R1.2 COC1=CC(=CC=C1)Cl R0011C [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 COC1=CC(=CC=C1)F R000SE [1,1,0,0,0,0|2,0,0]=4 72 B9R1.6 B(C1=CC=CC=C1)(O)O R000VC [1,1,0,0,0,0|1,0,0]=3 73 B9R1.6 B(C1=CC=NC=C1)(O)O R000VH [1,1,0,0,0,0|2,0,0]=4 74 B9R1.6 B(C1=CN=CC=C1)(O)O R000VJ [1,1,0,0,0,0|2,0,0]=4 75 B9R1.6 C1=CC(=CN=C1)C(=O)O R00163 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.6 C1=CC=NC(=C1)C(=O)O R000WS [1,1,0,0,0,0|1,0,1]=4 77 B9R1.6 C1=CN=CC=C1C(=O)O R00172 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.6 C[Si](C)C1=CC=CC=C1 R0017M [1,1,0,0,0,0|1,1,0]=4 79 B9R1.8 C1=CC=C(C=C1)CC#N R0018U [1,1,0,0,0,0|1,0,0]=3 80 B9R1.8 C1=CC=NC(=C1)CC#N R0011B [1,1,0,0,0,0|2,0,0]=4 81 B9R1.8 C1=CN=CC=C1CC#N R0017Z [1,1,0,0,0,0|2,0,0]=4 82 B9R1.8 COCC1=CC=CC=N1 R0011X [1,1,0,0,0,0|1,0,0]=3 83 B9R1.15 C1=CC(=C(N=C1)Cl)CO R000YG [1,1,0,0,0,0|1,0,0]=3 84 B9R1.15 C1=CC=C(C(=C1)C#N)Cl R001A4 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.15 C1=CC=C(C(=C1)CO)Cl R001B5 [1,1,0,0,0,0|0,0,0]=2 86 B9R1.15 COC1=CC=CC=C1N R000UV [1,1,0,0,0,0|2,0,0]=4 87 B9R1.69 C1=CC(=C(C=C1Br)F)Cl R0010D [1,1,0,0,0,0|2,0,0]=4 88 B9R1.69 C1=CC(=NC(=C1O)Cl)I R0017P [1,1,0,0,0,0|2,0,0]=4 89 B9R1.69 CC1=CC(=C(C=C1)C)Br R000V7 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.69 CC1=NC(=C(C=C1)N)Cl R0010H [1,1,0,0,0,0|2,0,0]=4 91 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl R001AW [0,2,0,0,0,0|1,0,0]=3 92 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl R0010C [0,2,0,0,0,0|2,0,0]=4 93 B11R1.22 CCC(=O)C1=CC=C(C=C1)O R001AM [0,2,0,0,0,0|1,0,0]=3 94 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O R000W1 [0,2,0,0,0,0|0,0,2]=4 95 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O R00116 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.3 B(C1=CC=C(C=C1)CO)(O)O R00112 [0,2,0,0,0,0|0,0,0]=2 97 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O R000VF [0,2,0,0,0,0|1,0,0]=3 98 B11R1.3 C1=CC(=CC=C1C(=O)O)NN R001AD [0,2,0,0,0,0|1,0,1]=4 99 B11R1.3 C1=CC(=CC=C1C(=O)O)NN R001AE [0,2,0,0,0,0|1,0,1]=4 100 B11R1.3 C1=CC(=CC=C1CO)[N+](=O)[O-] R001B2 [0,2,0,0,0,0|0,0,1]=3 101 B11R1.3 COC1=NC=C(C=C1)C(=O)O R001BN [0,2,0,0,0,0|1,0,1]=4 102 B11R1.19 C1=CC(=CC=C1N)S(=O)(=O)O R000V8 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.21 B(C1=CC(=C(C=C1)F)F)(O)O R0010N [0,2,0,0,0,0|2,0,0]=4 104 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O R000VN [0,2,0,0,0,0|2,0,0]=4