0 B7R1.3 C1=CC(=CN=C1)Br R0016G [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 C1=CC(=CN=C1)N R0016C [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 C1=CC(=CN=C1)O R0016E [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 C1=CC=C(C=C1)Br R0018D [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 C1=CC=NC(=C1)Br R0014G [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 C1=CC=NC(=C1)F R0014K [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 C1=CC=NC(=C1)N R0014J [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C1=CN=C(N=C1)Cl R000RX [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C1=CN=CC=C1Br R00187 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 C1=CN=CC=C1N R00183 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 C1=CNC=CC1=O R00185 [0,0,0,0,0,0|1,0,1]=2 11 B7R1.3 CC1=CC=CC=N1 R000XX [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 CC1=CC=NC=C1 R00184 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 CC1=CN=CC=C1 R0016F [0,0,0,0,0,0|2,0,0]=2 14 B6R1.1 C1=CC=CC=C1 R00190 [1,0,0,0,0,0|0,0,0]=1 15 B6R1.1 C1=CC=NC=C1 R00192 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.2 C1=CC(=CN=C1)C#N R0016D [0,1,0,0,0,0|2,0,0]=3 17 B8R1.2 C1=CC(=CN=C1)CCl R00167 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 C1=CC=NC(=C1)C#N R000WD [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 C1=CC=NC(=C1)C=O R000XZ [0,1,0,0,0,0|1,0,1]=3 20 B8R1.2 C1=CC=NC(=C1)CCl R0011I [0,1,0,0,0,0|2,0,0]=3 21 B8R1.2 C1=CC=NC(=C1)CO R000W3 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.2 C1=CN=C(N=C1)C#N R000RY [0,1,0,0,0,0|3,0,0]=4 23 B8R1.2 C1=CN=C(N=C1)NN R000S3 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 C1=CN=CC=C1C#N R00182 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 C1=CN=CC=C1CCl R00181 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 C1=CN=CC=C1CO R00180 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.2 COC1=CC=CC=N1 R0011W [0,1,0,0,0,0|1,0,0]=2 28 B8R1.3 C1=CC(=CC=C1F)Br R0010P [0,1,0,0,0,0|1,0,0]=2 29 B8R1.3 C1=CC(=CC=C1F)S R001A6 [0,1,0,0,0,0|0,1,0]=2 30 B8R1.3 C1=CC(=NC=C1Br)Br R0014P [0,1,0,0,0,0|2,0,0]=3 31 B8R1.3 C1=CC(=NC=C1Br)N R0014N [0,1,0,0,0,0|2,0,0]=3 32 B8R1.3 C1=CC(=NC=C1Cl)N R0014O [0,1,0,0,0,0|2,0,0]=3 33 B8R1.3 C1=CC(=NC=C1F)N R0017T [0,1,0,0,0,0|2,0,0]=3 34 B8R1.3 CC1=CN=C(C=C1)Br R00124 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.3 CC1=CN=C(C=C1)Cl R00129 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.3 CC1=CN=C(C=C1)F R0015W [0,1,0,0,0,0|2,0,0]=3 37 B8R1.3 CC1=CN=C(C=C1)N R0011Z [0,1,0,0,0,0|2,0,0]=3 38 B8R1.3 CC1=NC=C(C=C1)Br R00108 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.3 CC1=NC=C(C=C1)Br R001C3 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.4 C1=CC(=CC(=C1)O)N R000V9 [0,1,0,0,0,0|0,0,0]=1 41 B8R1.4 C1=CC(=NC(=C1)Br)F R0010F [0,1,0,0,0,0|2,0,0]=3 42 B8R1.4 C1=CC(=NC(=C1)F)F R000UD [0,1,0,0,0,0|2,0,0]=3 43 B8R1.4 C1=CC(=NC(=C1)N)N R0012I [0,1,0,0,0,0|2,0,0]=3 44 B8R1.4 C1=CN=C(C=C1Cl)N R0017L [0,1,0,0,0,0|2,0,0]=3 45 B8R1.4 C1=CNC(=O)NC1=O R000VZ [0,1,0,0,0,0|2,0,1]=4 46 B8R1.4 CC1=CC(=CN=C1)C R0016B [0,1,0,0,0,0|2,0,0]=3 47 B8R1.4 CC1=CC(=NC=C1)Br R00123 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.4 CC1=CC(=NC=C1)Cl R00119 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.4 CC1=CC(=NC=C1)Cl R00128 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.4 CC1=CC(=NC=C1)F R0015V [0,1,0,0,0,0|2,0,0]=3 51 B8R1.4 CC1=CC(=NC=C1)N R00120 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.4 CC1=CC(=O)NC=C1 R0011U [0,1,0,0,0,0|1,0,1]=3 53 B8R1.4 CC1=CC=CC(=O)N1 R0011V [0,1,0,0,0,0|1,0,1]=3 54 B8R1.4 CC1=C[N+](=CC=C1)[O-] R00165 [0,1,0,0,0,0|1,0,1]=3 55 B8R1.4 CC1=NC(=CC=C1)Br R00125 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.4 CC1=NC(=CC=C1)C R0012C [0,1,0,0,0,0|2,0,0]=3 57 B8R1.4 CC1=NC(=CC=C1)Cl R0012A [0,1,0,0,0,0|2,0,0]=3 58 B8R1.4 CC1=NC(=CC=C1)F R0015X [0,1,0,0,0,0|2,0,0]=3 59 B8R1.4 CC1=NC(=CC=C1)N R0011Y [0,1,0,0,0,0|2,0,0]=3 60 B8R1.4 CC1=NC=CC(=C1)Br R0011Q [0,1,0,0,0,0|2,0,0]=3 61 B8R1.4 CC1=NC=CC(=C1)Cl R0011S [0,1,0,0,0,0|2,0,0]=3 62 B8R1.4 CC1=NC=CC(=C1)F R0011T [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 CC1=NC=CC(=C1)N R0011P [0,1,0,0,0,0|2,0,0]=3 64 B8R1.5 C1=CC(=C(N=C1)Cl)Cl R0012G [0,1,0,0,0,0|2,0,0]=3 65 B8R1.5 C1=CC(=C(N=C1)Cl)O R00149 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.5 C1=CC=C(C(=C1)N)F R0010S [0,1,0,0,0,0|1,0,0]=2 67 B8R1.5 C1=CC=C(C(=C1)N)N R00198 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.5 CC1=C(C=CC=N1)O R0017W [0,1,0,0,0,0|1,0,0]=2 69 B8R1.5 CC1=C(C=NC=C1)Br R0016S [0,1,0,0,0,0|2,0,0]=3 70 B8R1.5 CC1=C(N=CC=C1)Br R00122 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.5 CC1=C(N=CC=C1)Cl R00127 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.5 CC1=C(N=CC=C1)F R0015U [0,1,0,0,0,0|2,0,0]=3 73 B8R1.5 CC1=C(N=CC=C1)N R00121 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.5 CC1=CC=CC=[N+]1[O-] R0011M [0,1,0,0,0,0|1,0,1]=3 75 B6R1.2 C1=C(C=NN1)I R000V0 [0,0,0,0,1,0|3,0,0]=4 76 B7R1.1 C#CC1=CSC=C1 R00199 [0,1,0,0,1,0|2,0,0]=4 77 B9R1.1 C#CC1=CC=C(C=C1)Br R0017K [0,2,0,0,0,0|1,0,0]=3 78 B9R1.1 C#CC1=CC=C(C=C1)N R00144 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.1 C1=CC(=CC=C1CO)Cl R001B3 [0,2,0,0,0,0|0,0,0]=2 80 B9R1.1 C1=CC(=NC=C1Br)CO R001C1 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.1 C1=CC(=NC=C1C#N)Cl R001BU [0,2,0,0,0,0|2,0,0]=4 82 B9R1.1 C1=CC(=NC=C1C=O)Cl R001BR [0,2,0,0,0,0|1,0,1]=4 83 B9R1.1 CC1=CN=C(C=C1)C#N R00115 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.1 CNC1=CC=C(C=C1)Br R000T0 [0,2,0,0,0,0|1,0,0]=3 85 B9R1.1 COC1=CC=C(C=C1)N R000UY [0,2,0,0,0,0|0,0,0]=2 86 B9R1.2 C1=CC(=CC(=C1)Cl)CCl R00171 [0,2,0,0,0,0|1,0,0]=3 87 B9R1.2 C1=CC(=CC(=C1)O)C=O R000SR [0,2,0,0,0,0|0,0,0]=2 88 B9R1.2 C1=CC(=NC(=C1)Br)C#N R0017J [0,2,0,0,0,0|2,0,0]=4 89 B9R1.2 C1=CC(=NC(=C1)Cl)C#N R0017H [0,2,0,0,0,0|2,0,0]=4 90 B9R1.2 C1=CN=C(C=C1C=O)Cl R00148 [0,2,0,0,0,0|1,0,1]=4 91 B9R1.2 C1=CN=C(C=C1CO)Cl R00147 [0,2,0,0,0,0|1,0,0]=3 92 B9R1.2 C1=CN=C(C=C1Cl)C=O R0018B [0,2,0,0,0,0|1,0,1]=4 93 B9R1.2 CC1=CC=CC(=N1)C=O R001BD [0,2,0,0,0,0|1,0,1]=4 94 B9R1.2 CC1=NC(=CC=C1)CCl R0014F [0,2,0,0,0,0|2,0,0]=4 95 B9R1.2 CC1=NC(=CC=C1)CO R001BE [0,2,0,0,0,0|1,0,0]=3 96 B9R1.2 COC1=CC(=CC=C1)Cl R0011C [0,2,0,0,0,0|0,0,0]=2 97 B9R1.2 COC1=CC(=CC=C1)F R000SE [0,2,0,0,0,0|0,0,0]=2 98 B9R1.6 B(C1=CC=CC=C1)(O)O R000VC [0,2,0,0,0,0|0,0,0]=2 99 B9R1.6 B(C1=CC=NC=C1)(O)O R000VH [0,2,0,0,0,0|1,0,0]=3 100 B9R1.6 B(C1=CN=CC=C1)(O)O R000VJ [0,2,0,0,0,0|1,0,0]=3 101 B9R1.6 C1=CC(=CN=C1)C(=O)O R00163 [0,2,0,0,0,0|1,0,0]=3 102 B9R1.6 C1=CC=NC(=C1)C(=O)O R000WS [0,2,0,0,0,0|1,0,0]=3 103 B9R1.6 C1=CN=CC=C1C(=O)O R00172 [0,2,0,0,0,0|1,0,0]=3 104 B9R1.6 CC(=O)C1=CC=CC=N1 R0014L [0,2,0,0,0,0|1,0,1]=4 105 B9R1.6 CC(=O)C1=CC=NC=C1 R00186 [0,2,0,0,0,0|1,0,1]=4 106 B9R1.6 CC(=O)C1=CN=CC=C1 R0016Z [0,2,0,0,0,0|1,0,1]=4 107 B9R1.6 C[Si](C)C1=CC=CC=C1 R0017M [0,2,0,0,0,0|1,0,0]=3 108 B9R1.8 C1=CC=C(C=C1)CC#N R0018U [0,2,0,0,0,0|1,0,0]=3 109 B9R1.8 C1=CC=NC(=C1)CC#N R0011B [0,2,0,0,0,0|2,0,0]=4 110 B9R1.8 C1=CN=CC=C1CC#N R0017Z [0,2,0,0,0,0|2,0,0]=4 111 B9R1.8 COCC1=CC=CC=N1 R0011X [0,2,0,0,0,0|1,0,0]=3 112 B9R1.15 C1=CC(=C(N=C1)Cl)C=O R000YH [0,2,0,0,0,0|1,0,1]=4 113 B9R1.15 C1=CC(=C(N=C1)Cl)CO R000YG [0,2,0,0,0,0|1,0,0]=3 114 B9R1.15 C1=CC=C(C(=C1)C#N)Cl R001A4 [0,2,0,0,0,0|1,0,0]=3 115 B9R1.15 C1=CC=C(C(=C1)CO)Cl R001B5 [0,2,0,0,0,0|0,0,0]=2 116 B9R1.15 COC1=CC=CC=C1N R000UV [0,2,0,0,0,0|0,0,0]=2 117 B9R1.69 C1=CC(=C(C=C1Br)F)Cl R0010D [0,2,0,0,0,0|1,0,0]=3 118 B9R1.69 C1=CC(=NC(=C1O)Cl)I R0017P [0,2,0,0,0,0|1,0,0]=3 119 B9R1.69 CC1=CC(=C(C=C1)C)Br R000V7 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.69 CC1=CC(=NC=C1Br)N R0014M [0,2,0,0,0,0|2,0,0]=4 121 B9R1.69 CC1=NC(=C(C=C1)N)Cl R0010H [0,2,0,0,0,0|2,0,0]=4 122 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F R000SC [0,2,0,0,0,0|0,0,0]=2 123 B9R1.3 CC1=C(C(=NC=C1)Cl)Br R0017R [0,2,0,0,0,0|2,0,0]=4