0 B8R1.2 C1=CC(=CN=C1)CCl 5990 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 C1=CC(=CN=C1)CN 10146 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 C1=CC(=CN=C1)CO 8600 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.2 C1=CC=C(C=C1)NN 6820 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 C1=CC=NC(=C1)CCl 10463 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 C1=CC=NC(=C1)CN 5496 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 C1=CN=C(C=N1)C#N 6122 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C1=CN=C(N=C1)C#N 6563 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 C1=CN=CC=C1CCl 8451 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 COC1=CC=CC=N1 9619 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 COC1=CC=NC=C1 10117 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 c1ccnc(c1)C=O P0092 [0,0,0,0,0,0|1,0,2]=3 12 B8R1.2 c1cnc(nc1)C#N C0019 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.2 c1cnccc1C=O P0128 [0,0,0,0,0,0|1,0,2]=3 14 B8R1.2 c1cnccc1C=O P0128 [0,0,0,0,0,0|1,0,2]=3 15 B7R1.3 C1=C(C=NC=N1)Br 5441 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 C1=C(C=NC=N1)N 10659 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 C1=CC(=CN=C1)N 9511 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 C1=CC(=CN=C1)O 6695 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.3 C1=CC(=CN=C1)O 6696 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.3 C1=CC=C(C=C1)F 5387 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.3 C1=CC=C(C=C1)O 5847 [1,0,0,0,0,0|0,0,0]=1 22 B7R1.3 C1=CC=NC(=C1)Br 6647 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 C1=CC=[N+](C=C1)[O-] 9065 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.3 C1=CN=C(C=N1)Cl 5278 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 C1=CN=C(C=N1)N 6677 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 C1=CN=CN=C1N 6491 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 CC1=CN=CC=C1 8633 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.3 c1c(cncn1)Br B0314 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 c1ccc(cc1)F B0042 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.3 c1ccnc(c1)Br B0025 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 c1cnc(nc1)N A0006 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [0,1,0,0,0,0|1,0,1]=3 33 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [0,1,0,0,0,0|1,0,1]=3 34 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [0,1,0,0,0,0|1,0,1]=3 35 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [0,1,0,0,0,0|1,0,1]=3 36 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [0,1,0,0,0,0|1,0,1]=3 37 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [0,1,0,0,0,0|0,0,2]=3 39 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [0,1,0,0,0,0|0,0,2]=3 40 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [0,1,0,0,0,0|0,0,2]=3 41 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.1 C1=CC(=CC=C1CN)F 5139 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.1 C1=CC(=CC=C1CN)O 8602 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [0,1,0,0,0,0|0,1,0]=2 47 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 C1=CC(=CC=C1NN)F 5594 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [0,1,0,0,0,0|1,0,2]=4 51 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.1 C1=CC(=NC=C1C#N)Cl 9222 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.1 C1=CC(=NC=C1C#N)F 8692 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.1 C1=CC(=NC=C1C#N)N 9207 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [0,1,0,0,0,0|1,0,2]=4 56 B9R1.1 C1=CC(=NC=C1CCl)Cl 5674 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.1 C1=CC(=NC=C1Cl)NN 8116 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [0,1,0,0,0,0|1,0,1]=3 60 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.1 CC1=CC=C(C=C1)CN 9612 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.1 CC1=CN=C(C=C1)C#N 6614 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.1 COC1=CC=C(C=C1)Br 6813 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.1 COC1=CC=C(C=C1)F 5383 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 COC1=CC=C(C=C1)N 8631 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 COC1=CC=C(C=C1)S 8726 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 COC1=NC=C(C=C1)Br 9358 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.1 COC1=NC=C(C=C1)Br 9555 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.1 COC1=NC=C(C=C1)N 9999 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.1 CSC1=CC=C(C=C1)F 9086 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 C1=C(C=NC=C1Br)C#N 5232 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.2 C1=C(C=NC=C1Br)C=O 6653 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.2 C1=CC(=CC(=C1)Br)C=O 8210 [0,1,0,0,0,0|0,0,2]=3 75 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.2 C1=CC(=CC(=C1)Br)NN 10008 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.2 C1=CC(=CC(=C1)Cl)NN 9850 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 C1=CC(=CC(=C1)F)C#N 8577 [0,1,0,0,0,0|1,0,1]=3 79 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [0,1,0,0,0,0|0,0,2]=3 80 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [0,1,0,0,0,0|0,0,0]=1 81 B9R1.2 C1=CC(=CC(=C1)F)NN 5986 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.2 C1=CC(=CC(=C1)I)C#N 9764 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.2 C1=CC(=CC(=C1)I)C=O 9442 [0,1,0,0,0,0|0,0,2]=3 84 B9R1.2 C1=CC(=CC(=C1)N)C#N 6460 [0,1,0,0,0,0|1,0,1]=3 85 B9R1.2 C1=CC(=NC(=C1)Br)C=O 8472 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.2 C1=CC(=NC(=C1)Cl)NN 9591 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 C1=CN=C(C=C1C#N)Cl 6435 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.2 C1=CN=C(C=C1CO)Br 8980 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.2 C1=CN=C(C=C1Cl)CO 9975 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [0,1,0,0,0,0|0,0,2]=3 92 B9R1.2 CC1=CC=CC(=N1)C#N 10417 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.2 CC1=CC=CC(=N1)C=O 10415 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.2 COC1=CC(=CC=C1)F 5384 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 COC1=CC(=CC=C1)S 5358 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.2 COC1=CC(=CN=C1)Br 10627 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 COC1=CC(=CN=C1)Br 5648 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.2 COC1=CC=CC(=C1)N 9172 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 COC1=NC(=CC=C1)Br 6692 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.2 COc1cccc(c1)Br B0420 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 COc1cccc(c1)Cl C0028 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.2 CSC1=CC=CC(=C1)F 9504 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.2 CSC1=CC=CC(=C1)N 6516 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.6 B(C1=CN=CC=C1)(O)O 5559 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.6 B(C1=CN=CN=C1)(O)O 5196 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,1,0,0,0,0|0,0,1]=2 109 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [0,1,0,0,0,0|0,1,1]=3 110 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,1,0,0,0,0|1,1,1]=4 113 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [0,1,0,0,0,0|1,1,1]=4 115 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.6 CN(C)C1=CC=NC=C1 5603 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.6 CN(C)c1ccncc1 D0718 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.6 c1ccnc(c1)C(=O)O P2885 [0,1,0,0,0,0|1,0,1]=3 121 B9R1.6 c1cncnc1C(=O)O P8990 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.8 C1=CC=C(C=C1)CON 10183 [0,1,0,0,0,0|0,0,0]=1 125 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [0,1,0,0,0,0|1,0,1]=3 126 B9R1.8 C1=CC=NC(=C1)CCN 5251 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.8 C1=CC=NC(=C1)CCO 9142 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.8 CCCC1=CC=NC=C1 8669 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.8 c1cnccc1CCN A0195 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.8 c1cnccc1CCN P0148 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.15 C1=CC(=C(N=C1)C#N)F 5084 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.15 C1=CC(=C(N=C1)Cl)C#N 5375 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.15 C1=CC(=C(N=C1)F)C#N 5238 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [0,1,0,0,0,0|1,0,2]=4 136 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [0,1,0,0,0,0|1,0,1]=3 139 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [0,1,0,0,0,0|1,0,1]=3 140 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [0,1,0,0,0,0|1,0,1]=3 141 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [0,1,0,0,0,0|1,0,1]=3 142 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [0,1,0,0,0,0|0,0,2]=3 143 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [0,1,0,0,0,0|0,0,0]=1 149 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [0,1,0,0,0,0|0,0,0]=1 150 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [0,1,0,0,0,0|0,0,0]=1 151 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [0,1,0,0,0,0|0,0,0]=1 152 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.15 CC1=CC=CC=C1CO 6723 [0,1,0,0,0,0|0,0,0]=1 154 B9R1.15 CCC1=CC=CC=C1I 6010 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.15 CCC1=CC=CC=C1S 5060 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.15 COC1=C(C=CC=N1)N 6512 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.15 COC1=CC=CC=C1Br 6133 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.15 COC1=CC=CC=C1F 6115 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.15 COC1=CC=CC=C1I 9182 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.15 COC1=CC=CC=C1N 6674 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.15 COc1ccccc1Br B0022 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.15 CSC1=CC=CC=C1Br 5058 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.15 CSC1=CC=CC=C1Cl 6157 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.15 CSC1=CC=CC=C1N 8226 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.15 CSC1=CC=CC=C1O 8029 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [0,1,0,0,0,0|1,0,0]=2 168 B7R1.1 C1=C(N=CS1)CCl 8519 [0,0,0,0,1,0|3,0,0]=4 169 B7R1.1 C1=COC(=C1)C#N 10551 [0,0,0,0,1,0|2,0,1]=4 170 B7R1.1 C1=CSC(=C1)C#N 6398 [0,0,0,0,1,0|2,0,1]=4 171 B7R1.1 C1=CSC(=C1)CN 6832 [0,0,0,0,1,0|2,0,0]=3 172 B7R1.1 C1=CSC=C1C#N 8541 [0,0,0,0,1,0|2,0,1]=4 173 B7R1.1 CCN1C=CC=N1 8885 [0,0,0,0,1,0|3,0,0]=4 174 B7R1.1 c1cc(oc1)C=O F0018 [0,0,0,0,1,0|1,0,2]=4 175 B7R1.1 c1cc(oc1)CN F0590 [0,0,0,0,1,0|2,0,0]=3 176 B7R1.1 c1cc(sc1)C=O T0002 [0,0,0,0,1,0|1,0,2]=4 177 B7R1.1 o1c(ccc1)CN F0591 [0,0,0,0,1,0|2,0,0]=3 178 B6R1.1 C1=CC=NC=C1 8793 [2,0,0,0,0,0|1,0,0]=3 179 B6R1.1 C1=CC=NN=C1 6802 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.1 C1=CN=CC=N1 6118 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.1 C1=CN=CC=N1 8999 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.3 C1=CC(=CC=C1F)Br 6014 [1,1,0,0,0,0|1,0,0]=3 183 B8R1.3 C1=CC(=CC=C1F)Cl 9763 [1,1,0,0,0,0|1,0,0]=3 184 B8R1.3 C1=CC(=CC=C1F)F 10591 [1,1,0,0,0,0|1,0,0]=3 185 B8R1.3 C1=CC(=CC=C1N)Cl 6700 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.3 C1=CC(=CC=C1N)F 5032 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.3 C1=CC(=CC=C1N)I 8418 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.3 C1=CC(=NC=C1Br)Br 5443 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.3 C1=CC(=NC=C1Br)Cl 9228 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.3 C1=CC(=NC=C1Br)I 9334 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.3 C1=CC(=NC=C1Br)N 10514 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.3 C1=CC(=NC=C1Cl)Br 6467 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.3 C1=CC(=NC=C1Cl)N 8218 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.3 C1=CC(=NC=C1F)Br 10006 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.3 C1=CC(=NC=C1F)Br 6615 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.3 C1=CC(=NC=C1F)Cl 9957 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.3 C1=CC(=NC=C1F)F 5247 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.3 C1=CC(=NC=C1F)N 10320 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.3 C1=CC(=NC=C1I)Br 9940 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.3 C1=CC(=NC=C1I)Cl 5225 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.3 C1=CC(=NC=C1I)N 5110 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.3 C1=CC(=NC=C1O)Br 10436 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.3 C1=CC(=NC=C1O)Cl 9958 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.3 C1=CC(=O)NC=C1Br 8266 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.3 C1=CC(=O)NC=C1F 8617 [1,1,0,0,0,0|1,0,1]=4 207 B8R1.3 CC1=CN=C(C=C1)Br 9393 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.3 CC1=CN=C(C=C1)F 5449 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.3 CC1=CNC(=O)C=C1 9951 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.3 CC1=NC=C(C=C1)Br 5076 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.3 CC1=NC=C(C=C1)N 10240 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.3 c1cc(ccc1F)Br B0238 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.3 c1cc(ccc1N)F F0045 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.4 C1=C(C=NC=C1Br)Br 5217 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.4 C1=C(C=NC=C1Br)F 5671 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.4 C1=C(C=NC=C1Br)O 10431 [1,1,0,0,0,0|1,0,0]=3 217 B8R1.4 C1=C(C=NC=C1Cl)Cl 10175 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.4 C1=C(C=NC=C1Cl)F 8265 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.4 C1=C(C=NC=C1F)F 5685 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.4 C1=C(C=NC=C1F)N 6698 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.4 C1=CC(=CC(=C1)Br)Br 5153 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.4 C1=CC(=CC(=C1)Br)N 8582 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.4 C1=CC(=CC(=C1)Br)N 8583 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.4 C1=CC(=CC(=C1)Br)S 5283 [1,1,0,0,0,0|0,1,0]=3 225 B8R1.4 C1=CC(=CC(=C1)Cl)O 10156 [1,1,0,0,0,0|0,0,0]=2 226 B8R1.4 C1=CC(=CC(=C1)F)F 6015 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.4 C1=CC(=CC(=C1)I)Br 5550 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.4 C1=CC(=CC(=C1)I)F 8911 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.4 C1=CC(=CC(=C1)I)O 9915 [1,1,0,0,0,0|0,0,0]=2 230 B8R1.4 C1=CC(=NC(=C1)Br)Br 5221 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.4 C1=CC(=NC(=C1)Br)Cl 8069 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.4 C1=CC(=NC(=C1)Cl)F 5672 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.4 C1=CC(=NC(=C1)Cl)N 5316 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.4 C1=CC(=NC(=C1)F)F 10361 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.4 C1=CC(=NC(=C1)F)N 5229 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.4 C1=CC(=NC(=C1)N)N 6752 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.4 C1=CC(=O)NC(=C1)Cl 10464 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.4 C1=CC(=O)NC(=C1)F 6665 [1,1,0,0,0,0|1,0,1]=4 239 B8R1.4 C1=CN=C(C=C1Br)Br 5241 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.4 C1=CN=C(C=C1Br)Cl 8808 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.4 C1=CN=C(C=C1Br)F 6500 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.4 C1=CN=C(C=C1Br)N 8459 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.4 C1=CN=C(C=C1Cl)Cl 5661 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.4 C1=CN=C(C=C1I)F 8362 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 C1=CN=C(C=C1N)Br 9320 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.4 C1=CN=C(C=C1N)Cl 5451 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.4 C1=CNC(=O)C=C1O 10547 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.4 CC1=CC(=CC=C1)Br 9432 [1,1,0,0,0,0|0,0,0]=2 249 B8R1.4 CC1=CC(=CC=C1)I 8771 [1,1,0,0,0,0|0,0,0]=2 250 B8R1.4 CC1=CC(=CN=C1)N 8645 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.4 CC1=CC(=NC=C1)Br 9012 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.4 CC1=CC(=NC=C1)F 5561 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.4 CC1=CC(=NC=C1)F 6308 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.4 CC1=NC(=CC=C1)Br 5660 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.4 CC1=NC(=CC=C1)F 9658 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.4 CC1=NC(=NC=C1)Br B1240 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.4 CC1=NC(=NC=C1)Cl 5673 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.4 CC1=NC=CC(=C1)N 6613 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.4 Cc1ccnc(n1)N A0244 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.4 Cc1ccnc(n1)O H0124 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.4 c1c(ncnc1O)O D0129 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.4 c1cc(cc(c1)Br)F B0235 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.5 C1=CC=C(C(=C1)Br)Br 5382 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.5 C1=CC=C(C(=C1)Br)I 6003 [1,1,0,0,0,0|1,0,0]=3 281 B8R1.5 C1=CC=C(C(=C1)Cl)Br 9010 [1,1,0,0,0,0|1,0,0]=3 282 B8R1.5 C1=CC=C(C(=C1)Cl)Cl 5752 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.5 C1=CC=C(C(=C1)F)Br 6002 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.5 C1=CC=C(C(=C1)F)Cl 10274 [1,1,0,0,0,0|1,0,0]=3 285 B8R1.5 C1=CC=C(C(=C1)F)Cl 6006 [1,1,0,0,0,0|1,0,0]=3 286 B8R1.5 C1=CC=C(C(=C1)F)F 6007 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.5 C1=CC=C(C(=C1)F)F 8369 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.5 C1=CC=C(C(=C1)O)Br 8498 [1,1,0,0,0,0|0,0,0]=2 292 B8R1.5 C1=CN=CC(=C1Br)Cl 6714 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.5 C1=CN=CC(=C1Cl)Cl 6626 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.5 C1=CN=CC(=C1Cl)F 6867 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.5 C1=CN=CC(=C1I)F 8281 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.5 C1=CN=CC(=C1N)Br 9751 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.5 C1=CN=CC(=C1N)N 9425 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.5 C1=CNC=C(C1=O)N 9533 [1,1,0,0,0,0|1,0,1]=4 299 B8R1.5 CC1=C(C=CC=N1)Br 5675 [1,1,0,0,0,0|1,0,0]=3 300 B8R1.5 CC1=C(C=CC=N1)N 10626 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [1,1,0,0,0,0|1,0,0]=3 302 B8R1.5 CC1=C(C=NC=C1)Br 10003 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.5 CC1=C(N=CC=C1)Br 8086 [1,1,0,0,0,0|1,0,0]=3 304 B8R1.5 CC1=CC=CC=C1Cl 5808 [1,1,0,0,0,0|0,0,0]=2 305 B8R1.5 CC1=CC=CC=C1I 5298 [1,1,0,0,0,0|0,0,0]=2 306 B8R1.5 CC1=NC=CN=C1C 10470 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.5 c1ccc(c(c1)N)F F0011 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.1 CC1=NC(=CS1)CO M0721 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.1 CC1=NOC(=C1)CO M0741 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.7 B(C1=CC=CO1)(O)O 5417 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.7 B(C1=CC=CO1)(O)O 6454 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.7 B(C1=CSC=C1)(O)O 5537 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.7 B(C1=CSC=C1)(O)O 8743 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [0,1,0,0,1,0|1,0,1]=4 315 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [0,1,0,0,1,0|1,0,1]=4 316 B8R1.8 C1=CSC(=C1)CC#N 6135 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.11 CN1C=CN=C1CO 10537 [0,1,0,0,1,0|2,0,0]=4 318 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [0,2,0,0,0,0|1,0,0]=3 319 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [0,2,0,0,0,0|1,0,0]=3 320 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [0,2,0,0,0,0|1,0,0]=3 321 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [0,2,0,0,0,0|1,0,0]=3 323 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [0,2,0,0,0,0|1,0,0]=3 324 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [0,2,0,0,0,0|0,0,0]=2 325 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [0,2,0,0,0,0|0,0,0]=2 326 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [0,2,0,0,0,0|1,0,0]=3 327 B10R1.3 C1=CC(=CC=C1C=O)C#N 5691 [0,2,0,0,0,0|0,0,2]=4 328 B10R1.3 C1=CC(=CC=C1C=O)C#N 5751 [0,2,0,0,0,0|0,0,2]=4 329 B10R1.3 C1=CC(=CC=C1CN)C#N C0297 [0,2,0,0,0,0|1,0,0]=3 330 B10R1.3 CCC1=CC=C(C=C1)C#C 10015 [0,2,0,0,0,0|1,0,0]=3 331 B10R1.3 COC1=CC=C(C=C1)C#C 9950 [0,2,0,0,0,0|1,0,1]=4 332 B10R1.3 COC1=CC=C(C=C1)C=O 8125 [0,2,0,0,0,0|0,0,2]=4 333 B10R1.3 COC1=CC=C(C=C1)CN 8511 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.3 c1cc(ccc1C=O)C#N F0081 [0,2,0,0,0,0|0,0,2]=4 335 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,2,0,0,0,0|1,0,0]=3 337 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,2,0,0,0,0|1,0,0]=3 338 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [0,2,0,0,0,0|1,0,0]=3 339 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.13 B(C1=CN=C(C=C1)F)(O)O 5214 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,2,0,0,0,0|1,0,1]=4 342 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,2,0,0,0,0|0,0,2]=4 343 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,2,0,0,0,0|0,0,1]=3 344 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,2,0,0,0,0|0,0,1]=3 345 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,2,0,0,0,0|0,0,1]=3 346 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,2,0,0,0,0|0,1,1]=4 347 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [0,2,0,0,0,0|1,0,0]=3 348 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,2,0,0,0,0|1,0,1]=4 351 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,2,0,0,0,0|1,0,1]=4 353 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,2,0,0,0,0|1,0,1]=4 354 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,2,0,0,0,0|1,0,1]=4 355 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,2,0,0,0,0|1,0,1]=4 356 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,2,0,0,0,0|1,0,1]=4 357 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,2,0,0,0,0|1,0,1]=4 358 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,2,0,0,0,0|1,0,1]=4 359 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,2,0,0,0,0|0,0,2]=4 360 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,2,0,0,0,0|0,0,2]=4 361 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,2,0,0,0,0|0,0,0]=2 362 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,2,0,0,0,0|0,0,1]=3 363 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,2,0,0,0,0|1,0,1]=4 365 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,2,0,0,0,0|1,0,1]=4 366 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,2,0,0,0,0|1,0,1]=4 367 B10R1.25 C1=CC(=C(C=C1Br)Cl)C#N 8523 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.25 C1=CC(=C(C=C1Br)F)C#N 5335 [0,2,0,0,0,0|1,0,1]=4 369 B10R1.25 C1=CC(=C(C=C1Br)F)CBr 6181 [0,2,0,0,0,0|1,0,0]=3 370 B10R1.25 C1=CC(=C(C=C1Br)F)CN 8039 [0,2,0,0,0,0|1,0,0]=3 371 B10R1.25 C1=CC(=C(C=C1Br)N)C#N 10495 [0,2,0,0,0,0|1,0,1]=4 372 B10R1.25 C1=CC(=C(C=C1Br)O)C#N 8623 [0,2,0,0,0,0|1,0,1]=4 373 B10R1.25 C1=CC(=C(C=C1Cl)Br)C#N 9719 [0,2,0,0,0,0|1,0,1]=4 374 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN 9013 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr 5211 [0,2,0,0,0,0|1,0,0]=3 376 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [0,2,0,0,0,0|0,0,0]=2 377 B10R1.25 C1=CC(=C(C=C1Cl)F)NN 5309 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [0,2,0,0,0,0|0,0,2]=4 379 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 8906 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 9254 [0,2,0,0,0,0|1,0,1]=4 381 B10R1.25 C1=CC(=C(C=C1F)Cl)CN 6194 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.25 C1=CC(=C(C=C1F)F)C#N 5162 [0,2,0,0,0,0|1,0,1]=4 383 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [0,2,0,0,0,0|0,0,2]=4 384 B10R1.25 C1=CC(=C(C=C1F)F)CBr 10356 [0,2,0,0,0,0|1,0,0]=3 385 B10R1.25 C1=CC(=C(C=C1F)F)CCl 10529 [0,2,0,0,0,0|1,0,0]=3 386 B10R1.25 C1=CC(=C(C=C1F)F)CN 5064 [0,2,0,0,0,0|1,0,0]=3 387 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [0,2,0,0,0,0|0,0,0]=2 388 B10R1.25 C1=CC(=C(C=C1F)F)NN 5631 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.25 C1=CC(=C(C=C1N)Br)C#N 10552 [0,2,0,0,0,0|1,0,1]=4 390 B10R1.25 C1=CC(=C(C=C1N)Cl)C#N 5725 [0,2,0,0,0,0|1,0,1]=4 391 B10R1.25 C1=CC(=C(C=C1N)F)C#N 8878 [0,2,0,0,0,0|1,0,1]=4 392 B10R1.25 C1=CC(=C(C=C1O)F)C#N 5126 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [0,2,0,0,0,0|0,0,2]=4 394 B10R1.25 CC1=C(C=CC(=C1)Br)C#N 9732 [0,2,0,0,0,0|1,0,1]=4 395 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [0,2,0,0,0,0|0,0,2]=4 396 B10R1.25 CC1=C(C=CC(=C1)F)C#N 8797 [0,2,0,0,0,0|1,0,1]=4 397 B10R1.25 CC1=CC(=C(C=C1)C#N)F 6654 [0,2,0,0,0,0|1,0,1]=4 398 B10R1.25 CC1=CC(=C(C=C1)OC)I 6862 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.25 COC1=C(C=C(C=C1)Br)O 6683 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.25 COC1=C(C=C(C=C1)Cl)Br 6521 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.25 COC1=C(C=C(C=C1)Cl)I 6532 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.25 COC1=C(C=C(C=C1)F)Br 6127 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.25 COC1=C(C=C(C=C1)F)Cl 9547 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.25 COC1=C(C=C(C=C1)F)F 5613 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.25 COC1=C(C=C(C=C1)N)Br 9331 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.25 COC1=C(C=C(C=C1)N)F 5654 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.25 COC1=C(C=C(C=C1)N)I 10230 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.25 Cc1cc(ccc1CN)F F0029 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [0,2,0,0,0,0|0,0,2]=4 411 B10R1.176 C1=CC(=C(C=C1C#N)Br)Cl 6640 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.176 C1=CC(=C(C=C1C#N)Cl)Br 6661 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.176 C1=CC(=C(C=C1C#N)Cl)F 6192 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.176 C1=CC(=C(C=C1C#N)Cl)N 6638 [0,2,0,0,0,0|1,0,1]=4 415 B10R1.176 C1=CC(=C(C=C1C#N)F)Cl 6471 [0,2,0,0,0,0|1,0,1]=4 416 B10R1.176 C1=CC(=C(C=C1C#N)F)F 6081 [0,2,0,0,0,0|1,0,1]=4 417 B10R1.176 C1=CC(=C(C=C1C#N)F)I 9562 [0,2,0,0,0,0|1,0,1]=4 418 B10R1.176 C1=CC(=C(C=C1C#N)F)N 5472 [0,2,0,0,0,0|1,0,1]=4 419 B10R1.176 C1=CC(=C(C=C1C#N)I)N 5523 [0,2,0,0,0,0|1,0,1]=4 420 B10R1.176 C1=CC(=C(C=C1C#N)N)Cl 8642 [0,2,0,0,0,0|1,0,1]=4 421 B10R1.176 C1=CC(=C(C=C1C#N)N)F 10652 [0,2,0,0,0,0|1,0,1]=4 422 B10R1.176 C1=CC(=C(C=C1C=O)Br)F 5548 [0,2,0,0,0,0|0,0,2]=4 423 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br 9404 [0,2,0,0,0,0|0,0,2]=4 424 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F 8322 [0,2,0,0,0,0|0,0,2]=4 425 B10R1.176 C1=CC(=C(C=C1C=O)F)Br 9383 [0,2,0,0,0,0|0,0,2]=4 426 B10R1.176 C1=CC(=C(C=C1C=O)F)F 5614 [0,2,0,0,0,0|0,0,2]=4 427 B10R1.176 C1=CC(=C(C=C1C=O)F)O 9932 [0,2,0,0,0,0|0,0,2]=4 428 B10R1.176 C1=CC(=C(C=C1C=O)O)O 6767 [0,2,0,0,0,0|0,0,2]=4 429 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl 6739 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.176 C1=CC(=C(C=C1CBr)F)Cl 6576 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.176 C1=CC(=C(C=C1CCl)F)F 5398 [0,2,0,0,0,0|1,0,0]=3 432 B10R1.176 C1=CC(=C(C=C1CN)Cl)F 8697 [0,2,0,0,0,0|1,0,0]=3 433 B10R1.176 C1=CC(=C(C=C1CO)Br)O 9541 [0,2,0,0,0,0|0,0,0]=2 434 B10R1.176 C1=CC(=C(C=C1CO)Cl)F 5350 [0,2,0,0,0,0|0,0,0]=2 435 B10R1.176 C1=CC(=C(C=C1CO)F)Cl 6586 [0,2,0,0,0,0|0,0,0]=2 436 B10R1.176 C1=CC(=C(C=C1CO)F)F 5618 [0,2,0,0,0,0|0,0,0]=2 437 B10R1.176 CC1=C(C=C(C=C1)C#N)Br 6755 [0,2,0,0,0,0|1,0,1]=4 438 B10R1.176 CC1=C(C=C(C=C1)C#N)F 9664 [0,2,0,0,0,0|1,0,1]=4 439 B10R1.176 CC1=C(C=C(C=C1)C#N)N 8423 [0,2,0,0,0,0|1,0,1]=4 440 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6278 [0,2,0,0,0,0|0,0,2]=4 441 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6279 [0,2,0,0,0,0|0,0,2]=4 442 B10R1.176 CC1=C(C=C(C=C1)CBr)F 8915 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.176 CC1=C(C=C(C=C1)CN)C 6547 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.176 CC1=C(C=C(C=C1)CN)F 8324 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.176 CC1=C(C=C(C=C1)CO)F 8904 [0,2,0,0,0,0|0,0,0]=2 446 B10R1.176 CC1=C(C=C(C=C1)OC)Cl 8676 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.176 CC1=C(C=CC(=C1)C#N)F 6655 [0,2,0,0,0,0|1,0,1]=4 448 B10R1.176 CC1=C(C=CC(=C1)CBr)F 9893 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.176 CC1=C(C=CC(=C1)CN)F 8722 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.176 COC1=CC(=C(C=C1)Br)F 5203 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.176 COC1=CC(=C(C=C1)Cl)Br 8084 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.176 COC1=CC(=C(C=C1)F)F 5159 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.176 COC1=CC(=C(C=C1)O)Br 8831 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.176 c1cc(c(cc1CN)F)Cl C0229 [0,2,0,0,0,0|1,0,0]=3 455 B10R1.2 C1=CC(=C(C(=C1)Br)F)C#N 10090 [0,2,0,0,0,0|1,0,1]=4 456 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)C=O 6819 [0,2,0,0,0,0|0,0,2]=4 457 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C#N 10487 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 5345 [0,2,0,0,0,0|0,0,2]=4 459 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 6249 [0,2,0,0,0,0|0,0,2]=4 460 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CN 6252 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C#N 6689 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.2 C1=CC(=C(C(=C1)F)F)C#N 6064 [0,2,0,0,0,0|1,0,1]=4 463 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O 6063 [0,2,0,0,0,0|0,0,2]=4 464 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr 9909 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.2 CC1=C(C(=CC=C1)CN)C 6546 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.2 CC1=C(C=CC=C1Br)C#N 6769 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.2 CC1=C(C=CC=C1Cl)C#N 5120 [0,2,0,0,0,0|1,0,1]=4 468 B10R1.2 CC1=C(C=CC=C1Cl)CN 6533 [0,2,0,0,0,0|1,0,0]=3 469 B10R1.2 CC1=C(C=CC=C1F)C=O 9593 [0,2,0,0,0,0|0,0,2]=4 470 B10R1.2 CC1=CC=CC(=C1C)C#N 5505 [0,2,0,0,0,0|1,0,1]=4 471 B10R1.2 CC1=CC=CC(=C1C)C=O 9617 [0,2,0,0,0,0|0,0,2]=4 472 B10R1.2 CC1=CC=CC(=C1F)C#N 9385 [0,2,0,0,0,0|1,0,1]=4 473 B10R1.2 COC1=C(C(=CC=C1)Cl)F 9762 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.2 COC1=C(C(=CC=C1)F)Br 9813 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.2 COC1=C(C(=CC=C1)F)F 5984 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.8 C1=C(C=C(C=C1Br)Br)C#N 8392 [0,2,0,0,0,0|1,0,1]=4 477 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C#N 9291 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C=O 5160 [0,2,0,0,0,0|0,0,2]=4 479 B10R1.8 C1=C(C=C(C=C1F)Br)C#N 6488 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.8 C1=C(C=C(C=C1F)Br)C=O 6486 [0,2,0,0,0,0|0,0,2]=4 481 B10R1.8 C1=C(C=C(C=C1F)F)C#N 5396 [0,2,0,0,0,0|1,0,1]=4 482 B10R1.8 C1=C(C=C(C=C1F)F)C=O 10353 [0,2,0,0,0,0|0,0,2]=4 483 B10R1.8 C1=C(C=C(C=C1F)F)CN 5621 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.8 C1=C(C=C(C=C1F)F)CO 5620 [0,2,0,0,0,0|0,0,0]=2 485 B10R1.8 C1=C(C=C(C=C1N)F)C#N 10089 [0,2,0,0,0,0|1,0,1]=4 486 B10R1.8 CC1=CC(=CC(=C1)C=O)Br 9180 [0,2,0,0,0,0|0,0,2]=4 487 B10R1.8 CCC1=CC(=CC(=C1)F)F 8659 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.8 COC1=CC(=CC(=C1)F)F 5612 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.8 COC1=CC(=CC(=C1)F)F 6102 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.8 COc1cc(cc(c1)Br)N B0462 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl 8512 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.8 c1c(cc(cc1F)F)C=O D0345 [0,2,0,0,0,0|0,0,2]=4 493 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=O 8145 [0,2,0,0,0,0|0,0,2]=4 496 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [0,2,0,0,0,0|0,0,0]=2 498 B10R1.10 CC1=CC(=CC=C1)N=C=S 8382 [0,2,0,0,0,0|0,1,1]=4 499 B10R1.30 C1=CC(=C(C=C1Br)C#N)Cl 8108 [0,2,0,0,0,0|1,0,1]=4 500 B10R1.30 C1=CC(=C(C=C1Br)C#N)N 5314 [0,2,0,0,0,0|1,0,1]=4 501 B10R1.30 C1=CC(=C(C=C1Cl)C#N)Br 5321 [0,2,0,0,0,0|1,0,1]=4 502 B10R1.30 C1=CC(=C(C=C1Cl)C#N)F 6250 [0,2,0,0,0,0|1,0,1]=4 503 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Br 10177 [0,2,0,0,0,0|0,0,2]=4 504 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O 6718 [0,2,0,0,0,0|0,0,2]=4 505 B10R1.30 C1=CC(=C(C=C1Cl)CN)F 9760 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.30 C1=CC(=C(C=C1F)C#N)Br 6487 [0,2,0,0,0,0|1,0,1]=4 507 B10R1.30 C1=CC(=C(C=C1F)C#N)F 9298 [0,2,0,0,0,0|1,0,1]=4 508 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [0,2,0,0,0,0|0,0,2]=4 509 B10R1.30 C1=CC(=C(C=C1F)CBr)Br 9632 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.30 C1=CC(=C(C=C1F)CBr)F 8216 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.30 C1=CC(=C(C=C1F)CCl)F 9199 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.30 C1=CC(=C(C=C1F)CN)F 6209 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.30 C1=CC(=C(C=C1F)CO)Br 8036 [0,2,0,0,0,0|0,0,0]=2 514 B10R1.30 C1=CC(=C(C=C1F)CO)F 6070 [0,2,0,0,0,0|0,0,0]=2 515 B10R1.30 C1=CC(=C(C=C1I)C=O)F 9372 [0,2,0,0,0,0|0,0,2]=4 516 B10R1.30 C1=CC(=C(C=C1N)C#N)F 5450 [0,2,0,0,0,0|1,0,1]=4 517 B10R1.30 C1=CC(=C(C=C1O)C=O)Br 8805 [0,2,0,0,0,0|0,0,2]=4 518 B10R1.30 CC1=C(C=C(C=C1)Cl)CN 6534 [0,2,0,0,0,0|1,0,0]=3 519 B10R1.30 CC1=C(C=C(C=C1)F)CBr 8570 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.30 CC1=C(C=C(C=C1)N)C#N 9614 [0,2,0,0,0,0|1,0,1]=4 521 B10R1.30 CC1=CC(=C(C=C1)C)C#N 6545 [0,2,0,0,0,0|1,0,1]=4 522 B10R1.30 CC1=CC(=C(C=C1)F)C#N 6447 [0,2,0,0,0,0|1,0,1]=4 523 B10R1.30 COC1=C(C=CC(=C1)Br)Cl 9742 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.30 COC1=C(C=CC(=C1)Br)F 5237 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.30 COC1=C(C=CC(=C1)Br)N 5264 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.30 COC1=C(C=CC(=C1)Br)O 6868 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.30 COC1=C(C=CC(=C1)F)F 8359 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.30 c1cc(c(cc1F)CBr)Cl C0029 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O 10119 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.113 B(C1=CC(=CC=C1)F)(O)O 5003 [0,2,0,0,0,0|1,0,0]=3 531 B10R1.113 B(C1=CC(=NC=C1)Cl)(O)O 9355 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.113 C1=C(C=C(C=C1)I)[N+](=O)[O-] 10012 [0,2,0,0,0,0|1,0,1]=4 533 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [0,2,0,0,0,0|1,0,1]=4 534 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [0,2,0,0,0,0|1,0,1]=4 535 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [0,2,0,0,0,0|1,0,1]=4 536 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F 8828 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [0,2,0,0,0,0|0,0,2]=4 538 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [0,2,0,0,0,0|0,0,1]=3 539 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [0,2,0,0,0,0|1,0,1]=4 540 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [0,2,0,0,0,0|0,0,1]=3 541 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [0,2,0,0,0,0|1,0,1]=4 543 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [0,2,0,0,0,0|1,0,1]=4 544 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [0,2,0,0,0,0|1,0,1]=4 545 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [0,2,0,0,0,0|1,0,1]=4 546 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [0,2,0,0,0,0|1,0,1]=4 547 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [0,2,0,0,0,0|0,0,2]=4 551 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [0,2,0,0,0,0|0,0,2]=4 552 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [0,2,0,0,0,0|0,0,2]=4 553 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [0,2,0,0,0,0|0,0,2]=4 554 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [0,2,0,0,0,0|1,0,1]=4 555 B10R1.172 C1=CC(=CC(=C1)C=O)C=O 6830 [0,2,0,0,0,0|0,0,2]=4 556 B10R1.172 COC1=CC(=CC=C1)SC 6568 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.172 COC1=CC=CC(=C1)C#N 8238 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.172 COC1=CC=CC(=C1)CCl 8952 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.15 C1=CC(=CN=C1)C(=NO)N 9520 [0,2,0,0,0,0|1,0,1]=4 560 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [0,2,0,0,0,0|1,0,1]=4 564 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [0,2,0,0,0,0|1,0,1]=4 565 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,2,0,0,0,0|0,0,0]=2 566 B10R1.28 C1=CC(=CN=C1)C(F)(F)F 8366 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [0,2,0,0,0,0|1,0,0]=3 568 B10R1.28 C1=CC=C(C=C1)[Si](Cl)(Cl)Cl 5843 [0,2,0,0,0,0|1,1,0]=4 569 B10R1.28 C1=CC=NC(=C1)C(F)(F)F 6433 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.28 C1=CN=CC=C1C(F)(F)F 5185 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.28 c1cc(cnc1)S(=O)(=O)O P0398 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,2,0,0,0,0|1,0,1]=4 579 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,2,0,0,0,0|1,0,1]=4 580 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,2,0,0,0,0|1,0,1]=4 581 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,2,0,0,0,0|1,0,1]=4 582 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,2,0,0,0,0|1,0,1]=4 583 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,2,0,0,0,0|1,0,1]=4 584 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,2,0,0,0,0|0,0,2]=4 585 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,2,0,0,0,0|0,0,1]=3 586 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,2,0,0,0,0|0,0,1]=3 587 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,2,0,0,0,0|0,0,1]=3 588 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,2,0,0,0,0|0,1,1]=4 589 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [0,2,0,0,0,0|1,0,1]=4 591 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [0,2,0,0,0,0|1,0,1]=4 593 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [0,2,0,0,0,0|1,0,1]=4 594 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [0,2,0,0,0,0|1,0,1]=4 595 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [0,2,0,0,0,0|1,0,1]=4 596 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [0,2,0,0,0,0|1,0,1]=4 597 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,2,0,0,0,0|0,0,2]=4 598 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,2,0,0,0,0|0,0,2]=4 599 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,2,0,0,0,0|0,0,2]=4 600 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.61 CC(c1ccccc1N)O A1015 [0,2,0,0,0,0|0,0,0]=2 603 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,2,0,0,0,0|1,0,1]=4 604 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [0,2,0,0,0,0|0,0,0]=2 607 B10R1.4 C1=CC=C(C(=C1)N=C=S)F 8346 [0,2,0,0,0,0|0,1,1]=4 608 B10R1.4 CCOC1=CC=CC=C1F 5372 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [0,2,0,0,0,0|0,1,0]=3 610 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [0,2,0,0,0,0|1,0,1]=4 611 B10R1.17 CCNCC1=CC=NC=C1 8861 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.17 CNCCC1=CC=CC=N1 10522 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.17 CNCCC1=CC=CC=N1 6724 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [0,2,0,0,0,0|0,0,2]=4 616 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [0,2,0,0,0,0|0,0,2]=4 617 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.20 C1=CC=C(C(=C1)C=O)C#N 8643 [0,2,0,0,0,0|0,0,2]=4 619 B10R1.20 CCC1=CC=CC=C1NN 10327 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.20 COC1=CC=CC=C1OC 9439 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.20 COC1=CC=CC=C1SC 5663 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.245 C1=CC(=C(C(=C1)Br)C#N)N 10485 [0,2,0,0,0,0|1,0,1]=4 623 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)F 8811 [0,2,0,0,0,0|0,0,2]=4 624 B10R1.245 C1=CC(=C(C(=C1)Cl)C#N)Cl 8090 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.245 C1=CC(=C(C(=C1)Cl)C#N)F 6235 [0,2,0,0,0,0|1,0,1]=4 626 B10R1.245 C1=CC(=C(C(=C1)Cl)C=O)F 8182 [0,2,0,0,0,0|0,0,2]=4 627 B10R1.245 C1=CC(=C(C(=C1)Cl)CBr)F 5354 [0,2,0,0,0,0|1,0,0]=3 628 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)F 5130 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.245 C1=CC(=C(C(=C1)Cl)CN)F 8913 [0,2,0,0,0,0|1,0,0]=3 630 B10R1.245 C1=CC(=C(C(=C1)F)C#N)F 6071 [0,2,0,0,0,0|1,0,1]=4 631 B10R1.245 C1=CC(=C(C(=C1)F)C#N)N 6171 [0,2,0,0,0,0|1,0,1]=4 632 B10R1.245 C1=CC(=C(C(=C1)F)C#N)O 5655 [0,2,0,0,0,0|1,0,1]=4 633 B10R1.245 C1=CC(=C(C(=C1)F)C=O)F 5392 [0,2,0,0,0,0|0,0,2]=4 634 B10R1.245 C1=CC(=C(C(=C1)F)CBr)F 5163 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.245 C1=CC(=C(C(=C1)F)CN)F 5399 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.245 C1=CC(=C(C(=C1)F)CN)N 10115 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.245 C1=CC(=C(C(=C1)F)CO)F 6072 [0,2,0,0,0,0|0,0,0]=2 638 B10R1.245 C1=CC(=C(C(=C1)I)C#N)F 6301 [0,2,0,0,0,0|1,0,1]=4 639 B10R1.245 CC1=C(C(=CC=C1)C)C=O 8504 [0,2,0,0,0,0|0,0,2]=4 640 B10R1.245 CC1=C(C(=CC=C1)C)CCl 6548 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.245 CC1=C(C(=CC=C1)Cl)C=O 9501 [0,2,0,0,0,0|0,0,2]=4 642 B10R1.245 COC1=C(C=CC=C1Cl)F 5577 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.245 COC1=C(C=CC=C1F)F 10315 [0,2,0,0,0,0|2,0,0]=4 644 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [0,1,0,1,0,0|0,0,1]=3 645 B10R2.7 c1ccc2c(c1)CCC2 I009 [0,1,0,1,0,0|1,0,0]=3 646 B10R2.7 c1ccc2c(c1)OCO2 B0143 [0,1,0,1,0,0|0,0,0]=2 647 B6R1.2 C1=CSC(=C1)Br 5377 [1,0,0,0,1,0|2,0,0]=4 648 B6R1.2 C1=CSC(=C1)Cl 9477 [1,0,0,0,1,0|2,0,0]=4 649 B6R1.2 C1=CSC(=C1)I 9486 [1,0,0,0,1,0|2,0,0]=4 650 B6R1.2 C1=CSC=C1Cl 9478 [1,0,0,0,1,0|2,0,0]=4 651 B6R1.2 CC1=CC=CS1 8742 [1,0,0,0,1,0|1,0,0]=3 652 B6R1.2 CC1=CC=NN1 8083 [1,0,0,0,1,0|2,0,0]=4 653 B6R1.2 CC1=CN=CN1 9563 [1,0,0,0,1,0|2,0,0]=4 654 B6R1.2 CC1=CSC=N1 8929 [1,0,0,0,1,0|2,0,0]=4 655 B6R1.2 Cc1cccs1 M0049 [1,0,0,0,1,0|1,0,0]=3