0 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [0,0,0,0,0,0|2,0,1]=3 1 B10R2.7 C1=CC2=NC=CN2C=C1 8887 [0,0,0,0,0,0|2,0,0]=2 2 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [0,0,0,0,0,0|1,1,0]=2 3 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [0,0,0,0,0,0|2,0,1]=3 4 B10R2.7 c1ccc2c(c1)CCC2 I009 [0,0,0,0,0,0|2,0,1]=3 5 B10R2.7 c1ccc2c(c1)OCO2 B0143 [0,0,0,0,0,0|1,1,1]=3 6 B11R2.1 C1=CC2=C(NN=C2C=C1)Br 9942 [0,1,0,0,0,0|2,0,0]=3 7 B11R2.1 c1ccn2c(c1)nnc2N T2938 [0,1,0,0,0,0|3,0,0]=4 8 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [0,1,0,0,0,0|1,1,1]=4 9 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [0,1,0,0,0,0|0,1,1]=3 10 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [0,1,0,0,0,0|0,0,1]=2 11 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [0,1,0,0,0,0|2,0,0]=3 12 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [0,1,0,0,0,0|1,0,1]=3 13 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [0,1,0,0,0,0|1,0,1]=3 14 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [0,1,0,0,0,0|1,0,1]=3 15 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 10604 [0,1,0,0,0,0|1,0,1]=3 16 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 6492 [0,1,0,0,0,0|1,0,1]=3 17 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl 10638 [0,1,0,0,0,0|1,0,1]=3 18 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [0,1,0,0,0,0|1,0,1]=3 19 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [0,1,0,0,0,0|1,0,1]=3 20 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 6671 [0,1,0,0,0,0|2,0,1]=4 21 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 5089 [0,1,0,0,0,0|2,0,1]=4 22 B11R2.36 C1=CC2=C(C=C1N)NC=N2 9866 [0,1,0,0,0,0|1,0,0]=2 23 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl 6668 [0,1,0,0,0,0|1,0,1]=3 24 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [0,1,0,0,0,0|1,0,1]=3 25 B11R2.36 C1=CC2=C(C=CN2)C=C1I 10534 [0,1,0,0,0,0|1,0,1]=3 26 B11R2.36 C1=CC2=C(C=CN2)C=C1N 9468 [0,1,0,0,0,0|1,0,1]=3 27 B11R2.36 C1=CNC2=NC=C(C=C21)Cl 8286 [0,1,0,0,0,0|2,0,1]=4 28 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [0,1,0,0,0,0|1,0,2]=4 29 B11R2.36 C1OC2=C(O1)C=C(C=C2)N 9966 [0,1,0,0,0,0|1,1,1]=4 30 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [0,1,0,0,0,0|1,0,1]=3 31 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [0,1,0,0,0,0|1,0,1]=3 32 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [0,1,0,0,0,0|1,0,2]=4 33 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [0,1,0,0,0,0|1,0,1]=3 34 B11R2.36 c1cn2cc(cnc2n1)Br B2689 [0,1,0,0,0,0|3,0,0]=4 35 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 6463 [0,1,0,0,0,0|1,0,1]=3 36 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Br 8233 [0,1,0,0,0,0|1,0,1]=3 37 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl 8597 [0,1,0,0,0,0|1,0,1]=3 38 B11R2.106 C1=CC2=C(C=CN2)C(=C1)N 8034 [0,1,0,0,0,0|1,0,1]=3 39 B11R2.106 C1=CC2=C(C=CN2)C(=C1)O 9531 [0,1,0,0,0,0|1,0,1]=3 40 B11R2.106 C1=CNC2=NC=CC(=C21)Br 9398 [0,1,0,0,0,0|2,0,1]=4 41 B11R2.106 C1=NC2=C(N1)C(=NC=N2)N 5086 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [0,0,1,0,0,0|2,0,1]=4 43 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [0,0,1,0,0,0|2,0,1]=4 44 B9R1.8 C1=CC=C(C=C1)CON 10183 [0,0,1,0,0,0|2,0,1]=4 45 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [0,0,1,0,0,0|0,1,2]=4 46 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [0,0,1,0,0,0|3,0,0]=4 47 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [0,0,1,0,0,0|3,0,0]=4 48 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [0,0,1,0,0,0|3,0,0]=4 49 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [0,0,1,0,0,0|3,0,0]=4 50 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [0,0,1,0,0,0|2,0,1]=4 51 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [0,0,1,0,0,0|2,1,0]=4 52 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [0,0,1,0,0,0|2,1,0]=4 53 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [0,0,1,0,0,0|3,0,0]=4 54 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [0,0,1,0,0,0|3,0,0]=4 55 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [0,0,1,0,0,0|3,0,0]=4 56 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [0,0,1,0,0,0|3,0,0]=4 57 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [0,0,1,0,0,0|3,0,0]=4 58 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [0,0,1,0,0,0|3,0,0]=4 59 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [0,0,1,0,0,0|3,0,0]=4 60 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [0,0,1,0,0,0|2,1,0]=4 61 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [0,0,1,0,0,0|2,1,0]=4 62 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [0,0,1,0,0,0|2,0,1]=4 63 B9R1.15 CC1=CC=CC=C1CO 6723 [0,0,1,0,0,0|3,0,0]=4 64 B9R1.15 CCC1=CC=CC=C1I 6010 [0,0,1,0,0,0|2,0,1]=4 65 B9R1.15 CCC1=CC=CC=C1S 5060 [0,0,1,0,0,0|1,0,1]=3 66 B9R1.15 COC1=CC=CC=C1Br 6133 [0,0,1,0,0,0|1,1,1]=4 67 B9R1.15 COC1=CC=CC=C1F 6115 [0,0,1,0,0,0|1,1,1]=4 68 B9R1.15 COC1=CC=CC=C1I 9182 [0,0,1,0,0,0|1,1,1]=4 69 B9R1.15 COC1=CC=CC=C1N 6674 [0,0,1,0,0,0|0,1,2]=4 70 B9R1.15 COc1ccccc1Br B0022 [0,0,1,0,0,0|1,1,1]=4 71 B9R1.15 CSC1=CC=CC=C1Br 5058 [0,0,1,0,0,0|1,0,1]=3 72 B9R1.15 CSC1=CC=CC=C1Cl 6157 [0,0,1,0,0,0|1,0,1]=3 73 B9R1.15 CSC1=CC=CC=C1N 8226 [0,0,1,0,0,0|0,0,2]=3 74 B9R1.15 CSC1=CC=CC=C1O 8029 [0,0,1,0,0,0|1,0,1]=3 75 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [0,0,1,0,0,0|3,0,0]=4 76 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 6803 [0,0,0,0,0,1|1,0,0]=2 77 B11R2.20 C1=CC=C2C=CC=CC2=C1 5853 [0,0,0,0,0,1|2,0,0]=3 78 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [0,0,0,0,0,1|2,0,1]=4 79 B11R2.20 C1CNCC2=CC=CC=C21 8407 [0,0,0,0,0,1|1,0,2]=4 80 B8R1.2 C1=CC=C(C=C1)NN 6820 [1,0,1,0,0,0|1,0,1]=4 81 B8R1.2 c1ccnc(c1)C=O P0092 [1,0,1,0,0,0|1,1,0]=4 82 B8R1.2 c1cnccc1C=O P0128 [1,0,1,0,0,0|1,1,0]=4 83 B8R1.2 c1cnccc1C=O P0128 [1,0,1,0,0,0|1,1,0]=4 84 B8R1.11 CC1=C(SC=N1)C=O 8622 [1,0,1,0,0,0|1,0,1]=4 85 B8R1.5 C1=CC=C(C(=C1)Br)Br 5382 [1,0,1,0,0,0|2,0,0]=4 86 B8R1.5 C1=CC=C(C(=C1)Br)I 6003 [1,0,1,0,0,0|2,0,0]=4 87 B8R1.5 C1=CC=C(C(=C1)Cl)Br 9010 [1,0,1,0,0,0|2,0,0]=4 88 B8R1.5 C1=CC=C(C(=C1)Cl)Cl 5752 [1,0,1,0,0,0|2,0,0]=4 89 B8R1.5 C1=CC=C(C(=C1)F)Br 6002 [1,0,1,0,0,0|2,0,0]=4 90 B8R1.5 C1=CC=C(C(=C1)F)Cl 10274 [1,0,1,0,0,0|2,0,0]=4 91 B8R1.5 C1=CC=C(C(=C1)F)Cl 6006 [1,0,1,0,0,0|2,0,0]=4 92 B8R1.5 C1=CC=C(C(=C1)F)F 6007 [1,0,1,0,0,0|2,0,0]=4 93 B8R1.5 C1=CC=C(C(=C1)F)F 8369 [1,0,1,0,0,0|2,0,0]=4 94 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [1,0,1,0,0,0|1,0,1]=4 95 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [1,0,1,0,0,0|1,0,1]=4 96 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [1,0,1,0,0,0|1,0,1]=4 97 B8R1.5 C1=CC=C(C(=C1)O)Br 8498 [1,0,1,0,0,0|1,1,0]=4 98 B8R1.5 CC1=CC=CC=C1Cl 5808 [1,0,1,0,0,0|1,0,1]=4 99 B8R1.5 CC1=CC=CC=C1I 5298 [1,0,1,0,0,0|1,0,1]=4 100 B8R1.5 c1ccc(c(c1)N)F F0011 [1,0,1,0,0,0|1,0,1]=4 101 B10R1.4 C1=CC=C(C(=C1)N=C=S)F 8346 [0,1,1,0,0,0|0,0,2]=4 102 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=O 8145 [0,1,1,0,0,0|0,1,1]=4 103 B10R1.10 CC1=CC(=CC=C1)N=C=S 8382 [0,1,1,0,0,0|0,0,2]=4 104 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [0,1,1,0,0,0|0,0,2]=4 105 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [0,1,1,0,0,0|1,0,1]=4 106 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [0,1,1,0,0,0|0,1,1]=4 107 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [0,1,1,0,0,0|0,1,1]=4 108 B10R1.20 COC1=CC=CC=C1SC 5663 [0,1,1,0,0,0|1,0,1]=4 109 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 10535 [0,1,0,0,0,1|1,0,0]=3 110 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 9159 [0,1,0,0,0,1|1,0,0]=3 111 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br 9970 [0,1,0,0,0,1|1,0,0]=3 112 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [0,1,0,0,0,1|1,0,0]=3 113 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [0,1,0,0,0,1|2,0,0]=4 114 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [0,1,0,0,0,1|2,0,0]=4 115 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 8882 [0,1,0,0,0,1|1,0,0]=3 116 B12R2.24 c1cc2ccc(cc2nc1)O 5993 [0,1,0,0,0,1|1,0,0]=3 117 B12R2.1081 C1=CC2=C(C(=C1)N)N=CC=C2 6838 [0,1,0,0,0,1|1,0,0]=3 118 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 6840 [0,1,0,0,0,1|1,0,0]=3 119 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)N 9513 [0,1,0,0,0,1|1,0,0]=3 120 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br 8097 [0,1,0,0,0,1|1,0,0]=3 121 B12R2.1081 C1=CC=C2C(=C1)C(=NC=N2)N Q1259 [0,1,0,0,0,1|1,0,0]=3 122 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 8254 [0,1,0,0,0,1|1,0,1]=4 123 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2F 5357 [0,1,0,0,0,1|2,0,0]=4 124 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N 10679 [0,1,0,0,0,1|2,0,0]=4 125 B12R2.1081 CC1=C2C(=CC=C1)N=CC=N2 10554 [0,1,0,0,0,1|1,0,0]=3 126 B12R2.1081 CC1=CC=CC2=C1N=CC=C2 8385 [0,1,0,0,0,1|1,0,0]=3 127 B12R2.1081 CC1=CC=NC2=CC=CC=C12 9629 [0,1,0,0,0,1|1,0,0]=3 128 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [0,2,0,0,0,0|1,0,1]=4 129 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,2,0,0,0,0|1,0,1]=4 130 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,2,0,0,0,0|1,0,1]=4 131 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl 6233 [0,2,0,0,0,0|1,0,0]=3 132 B12R2.612 Cn1cnc2c1ccc(c2)N M2002 [0,2,0,0,0,0|1,0,0]=3 133 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [0,2,0,0,0,0|1,0,1]=4 134 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N C1259 [0,2,0,0,0,0|1,0,1]=4 135 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [0,2,0,0,0,0|1,0,1]=4 136 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [0,2,0,0,0,0|1,0,1]=4 137 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [0,2,0,0,0,0|1,0,1]=4 138 B12R2.606 C1=CC2=C(C=C1Br)N=C(S2)N 8119 [0,2,0,0,0,0|0,0,0]=2 139 B12R2.606 C1=CC2=C(C=C1Br)SC(=N2)Cl 9809 [0,2,0,0,0,0|0,0,0]=2 140 B12R2.606 C1=CC2=C(C=C1Cl)SC(=N2)N 6833 [0,2,0,0,0,0|0,0,0]=2 141 B12R2.606 C1=CC2=C(C=C1F)SC(=N2)N 6402 [0,2,0,0,0,0|0,0,0]=2 142 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [0,2,0,0,0,0|1,0,1]=4 143 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,2,0,0,0,0|1,0,1]=4 144 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [0,2,0,0,0,0|1,0,1]=4 145 B12R2.44 C1=CC(=CC2=C1C=CN2)C#N 9833 [0,2,0,0,0,0|1,0,1]=4 146 B12R2.44 C1=CC2=C(C=CN2)C=C1C#N 8795 [0,2,0,0,0,0|1,0,1]=4 147 B12R2.44 C1=CC2=C(C=CN2)C=C1C#N 9604 [0,2,0,0,0,0|1,0,1]=4 148 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 10077 [0,2,0,0,0,0|1,0,1]=4 149 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 9500 [0,2,0,0,0,0|1,0,1]=4 150 B12R2.44 COC1=CC2=C(C=C1)C=CN2 6603 [0,2,0,0,0,0|1,0,1]=4 151 B12R2.44 COC1=CC2=C(C=C1)C=CN2 8822 [0,2,0,0,0,0|1,0,1]=4 152 B12R2.44 c1cc(cc2c1cc[nH]2)C=O F0277 [0,2,0,0,0,0|1,0,1]=4 153 B12R2.44 c1cc(cc2c1cc[nH]2)CN A4991 [0,2,0,0,0,0|1,0,1]=4 154 B12R2.246 c1c[nH]c2c1cc(cc2F)Br B2558 [0,2,0,0,0,0|1,0,1]=4 155 B12R2.246 c1c[nH]c2c1cc(cc2F)Br F5682 [0,2,0,0,0,0|1,0,1]=4 156 B12R2.221 C1=C(C2=NSN=C2C(=C1)Br)Br 10133 [0,2,0,0,0,0|2,0,0]=4 157 B12R2.221 c1cc(c2cc[nH]c2c1F)Br F5649 [0,2,0,0,0,0|1,0,1]=4 158 B12R2.315 c1cc(c2cc[nH]c2c1)CN A1245 [0,2,0,0,0,0|1,0,1]=4