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|2,0,0]=2 3 B8R1.2 C1=CC=C(C=C1)NN 6820 [0,0,0,0,0,0|4,0,0]=4 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|1,0,1]=2 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|4,0,0]=4 9 B8R1.2 COC1=CC=CC=N1 9619 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.2 COC1=CC=NC=C1 10117 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 c1ccnc(c1)C=O P0092 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.2 c1cnc(nc1)C#N C0019 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 C1=C(C=NC=N1)Br 5441 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 C1=C(C=NC=N1)N 10659 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 C1=CC(=CN=C1)N 9511 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 C1=CC(=CN=C1)O 6695 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 C1=CC(=CN=C1)O 6696 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 C1=CC=C(C=C1)F 5387 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 C1=CC=C(C=C1)O 5847 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 C1=CC=NC(=C1)Br 6647 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 C1=CN=C(C=N1)Cl 5278 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.3 C1=CN=C(C=N1)N 6677 [1,0,0,0,0,0|1,0,0]=2 23 B7R1.3 C1=CN=CN=C1N 6491 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 CC1=CN=CC=C1 8633 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.3 c1c(cncn1)Br B0314 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 c1ccc(cc1)F B0042 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 c1ccnc(c1)Br B0025 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 c1cnc(nc1)N A0006 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.1 C1=CC(=CC=C1CN)F 5139 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.1 C1=CC(=CC=C1CN)O 8602 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.1 C1=CC(=NC=C1C#N)Cl 9222 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.1 C1=CC(=NC=C1C#N)F 8692 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.1 C1=CC(=NC=C1C#N)N 9207 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.1 C1=CC(=NC=C1CCl)Cl 5674 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 C1=CC(=NC=C1Cl)NN 8116 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.1 CC1=CC=C(C=C1)CN 9612 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 CC1=CN=C(C=C1)C#N 6614 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.1 COC1=CC=C(C=C1)Br 6813 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 COC1=CC=C(C=C1)F 5383 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 COC1=CC=C(C=C1)N 8631 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 COC1=CC=C(C=C1)S 8726 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 COC1=NC=C(C=C1)Br 9358 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 COC1=NC=C(C=C1)Br 9555 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 COC1=NC=C(C=C1)N 9999 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.1 CSC1=CC=C(C=C1)F 9086 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.2 C1=C(C=NC=C1Br)C#N 5232 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.2 C1=C(C=NC=C1Br)C=O 6653 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.2 C1=CC(=NC(=C1)Br)C=O 8472 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.2 C1=CC(=NC(=C1)Cl)NN 9591 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 C1=CN=C(C=C1Cl)CO 9975 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.2 CC1=CC=CC(=N1)C#N 10417 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.2 CC1=CC=CC(=N1)C=O 10415 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.2 CC1=NC(=NC=C1)SC 8077 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 COC1=CC(=CC=C1)F 5384 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 COC1=CC(=CC=C1)S 5358 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 COC1=CC(=CN=C1)Br 10627 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.2 COC1=CC(=CN=C1)Br 5648 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 COC1=CC=CC(=C1)N 9172 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 COC1=NC(=CC=C1)Br 6692 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.2 COC1=NC(=NC=C1)Cl 8785 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.2 COc1cccc(c1)Br B0420 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 COc1cccc(c1)Cl C0028 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 CSC1=CC=CC(=C1)F 9504 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 CSC1=CC=CC(=C1)N 6516 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.6 B(C1=CN=CC=C1)(O)O 5559 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [0,1,0,0,0,0|0,0,1]=2 83 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.6 c1ccnc(c1)C(=O)O P2885 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.8 C1=CC=C(C=C1)CON 10183 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.8 C1=CC=NC(=C1)CCN 5251 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.8 C1=CC=NC(=C1)CCO 9142 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.8 CCCC1=CC=NC=C1 8669 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.8 c1cnccc1CCN A0195 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.8 c1cnccc1CCN P0148 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.15 C1=CC(=C(N=C1)C#N)F 5084 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.15 C1=CC(=C(N=C1)Cl)C#N 5375 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.15 C1=CC(=C(N=C1)F)C#N 5238 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.15 CC1=CC=CC=C1CO 6723 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.15 CCC1=CC=CC=C1I 6010 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.15 CCC1=CC=CC=C1S 5060 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.15 COC1=C(C=CC=N1)N 6512 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.15 COC1=CC=CC=C1Br 6133 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.15 COC1=CC=CC=C1F 6115 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.15 COC1=CC=CC=C1I 9182 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.15 COC1=CC=CC=C1N 6674 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.15 COc1ccccc1Br B0022 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.15 CSC1=CC=CC=C1Br 5058 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.15 CSC1=CC=CC=C1Cl 6157 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.15 CSC1=CC=CC=C1N 8226 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.15 CSC1=CC=CC=C1O 8029 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.1 C1=C(N=CS1)CCl 8519 [0,0,0,0,1,0|2,0,0]=3 123 B7R1.1 C1=CN=C(N1)C=O 6465 [0,0,0,0,1,0|1,0,2]=4 124 B7R1.1 C1=COC(=C1)C#N 10551 [0,0,0,0,1,0|2,0,1]=4 125 B7R1.1 C1=CSC(=C1)C#N 6398 [0,0,0,0,1,0|2,0,1]=4 126 B7R1.1 C1=CSC(=C1)CN 6832 [0,0,0,0,1,0|2,0,0]=3 127 B7R1.1 C1=CSC(=N1)C=O 9389 [0,0,0,0,1,0|2,0,1]=4 128 B7R1.1 C1=CSC=C1C#N 8541 [0,0,0,0,1,0|2,0,1]=4 129 B7R1.1 CCN1C=CC=N1 8885 [0,0,0,0,1,0|1,0,0]=2 130 B7R1.1 c1cc(oc1)C=O F0018 [0,0,0,0,1,0|2,0,1]=4 131 B7R1.1 c1cc(oc1)CN F0590 [0,0,0,0,1,0|2,0,0]=3 132 B7R1.1 c1cc(sc1)C=O T0002 [0,0,0,0,1,0|2,0,1]=4 133 B7R1.1 o1c(ccc1)CN F0591 [0,0,0,0,1,0|2,0,0]=3 134 B6R1.1 C1=CC=NC=C1 8793 [2,0,0,0,0,0|1,0,0]=3 135 B6R1.1 C1=CC=NN=C1 6802 [2,0,0,0,0,0|2,0,0]=4 136 B6R1.1 C1=CN=CC=N1 6118 [2,0,0,0,0,0|0,0,0]=2 137 B6R1.1 C1=CN=CC=N1 8999 [2,0,0,0,0,0|0,0,0]=2 138 B8R1.3 C1=C(N=CC(=N1)Br)Br 6735 [1,1,0,0,0,0|1,0,0]=3 139 B8R1.3 C1=CC(=NC=C1Br)Br 5443 [1,1,0,0,0,0|2,0,0]=4 140 B8R1.3 C1=CC(=NC=C1Br)Cl 9228 [1,1,0,0,0,0|2,0,0]=4 141 B8R1.3 C1=CC(=NC=C1Br)I 9334 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.3 C1=CC(=NC=C1Br)N 10514 [1,1,0,0,0,0|2,0,0]=4 143 B8R1.3 C1=CC(=NC=C1Cl)Br 6467 [1,1,0,0,0,0|2,0,0]=4 144 B8R1.3 C1=CC(=NC=C1Cl)N 8218 [1,1,0,0,0,0|2,0,0]=4 145 B8R1.3 C1=CC(=NC=C1F)Br 10006 [1,1,0,0,0,0|2,0,0]=4 146 B8R1.3 C1=CC(=NC=C1F)Br 6615 [1,1,0,0,0,0|2,0,0]=4 147 B8R1.3 C1=CC(=NC=C1F)Cl 9957 [1,1,0,0,0,0|2,0,0]=4 148 B8R1.3 C1=CC(=NC=C1F)F 5247 [1,1,0,0,0,0|2,0,0]=4 149 B8R1.3 C1=CC(=NC=C1F)N 10320 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.3 C1=CC(=NC=C1I)Br 9940 [1,1,0,0,0,0|2,0,0]=4 151 B8R1.3 C1=CC(=NC=C1I)Cl 5225 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.3 C1=CC(=NC=C1I)N 5110 [1,1,0,0,0,0|2,0,0]=4 153 B8R1.3 C1=CC(=NC=C1O)Br 10436 [1,1,0,0,0,0|2,0,0]=4 154 B8R1.3 C1=CC(=NC=C1O)Cl 9958 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.3 CC1=CN=C(C=C1)Br 9393 [1,1,0,0,0,0|1,0,0]=3 156 B8R1.3 CC1=CN=C(C=C1)F 5449 [1,1,0,0,0,0|1,0,0]=3 157 B8R1.3 CC1=CNC(=O)C=C1 9951 [1,1,0,0,0,0|1,0,1]=4 158 B8R1.3 CC1=NC=C(C=C1)Br 5076 [1,1,0,0,0,0|1,0,0]=3 159 B8R1.3 CC1=NC=C(C=C1)N 10240 [1,1,0,0,0,0|1,0,0]=3 160 B8R1.4 C1=C(C=NC=C1Br)Br 5217 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.4 C1=C(C=NC=C1Br)F 5671 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.4 C1=C(C=NC=C1Br)O 10431 [1,1,0,0,0,0|2,0,0]=4 163 B8R1.4 C1=C(C=NC=C1Cl)Cl 10175 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.4 C1=C(C=NC=C1Cl)F 8265 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.4 C1=C(C=NC=C1F)F 5685 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.4 C1=C(C=NC=C1F)N 6698 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.4 C1=C(N=C(C=N1)Cl)Cl 6123 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.4 C1=CC(=NC(=C1)Br)Br 5221 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.4 C1=CC(=NC(=C1)Br)Cl 8069 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.4 C1=CC(=NC(=C1)Cl)F 5672 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.4 C1=CC(=NC(=C1)Cl)N 5316 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.4 C1=CC(=NC(=C1)F)F 10361 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.4 C1=CC(=NC(=C1)F)N 5229 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.4 C1=CC(=NC(=C1)N)N 6752 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.4 C1=CN=C(C=C1Br)Br 5241 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.4 C1=CN=C(C=C1Br)Cl 8808 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.4 C1=CN=C(C=C1Br)F 6500 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.4 C1=CN=C(C=C1Br)N 8459 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.4 C1=CN=C(C=C1Cl)Cl 5661 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.4 C1=CN=C(C=C1I)F 8362 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.4 C1=CN=C(C=C1N)Br 9320 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.4 C1=CN=C(C=C1N)Cl 5451 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.4 CC1=CC(=CC=C1)Br 9432 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.4 CC1=CC(=CC=C1)I 8771 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.4 CC1=CC(=CN=C1)N 8645 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.4 CC1=CC(=NC=C1)Br 9012 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.4 CC1=CC(=NC=C1)F 5561 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.4 CC1=CC(=NC=C1)F 6308 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.4 CC1=NC(=CC=C1)Br 5660 [1,1,0,0,0,0|1,0,0]=3 191 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.4 CC1=NC(=CC=C1)F 9658 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.4 CC1=NC(=NC=C1)Br B1240 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.4 CC1=NC(=NC=C1)Cl 5673 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.4 CC1=NC=CC(=C1)N 6613 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.4 Cc1ccnc(n1)N A0244 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.4 Cc1ccnc(n1)O H0124 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.5 C1=CN=C(C(=N1)N)Cl 8111 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.5 C1=CN=CC(=C1Br)Cl 6714 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.5 C1=CN=CC(=C1Cl)Cl 6626 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.5 C1=CN=CC(=C1Cl)F 6867 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.5 C1=CN=CC(=C1I)F 8281 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.5 C1=CN=CC(=C1N)Br 9751 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.5 C1=CN=CC(=C1N)N 9425 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.5 CC1=C(C=CC=N1)Br 5675 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.5 CC1=C(C=CC=N1)N 10626 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.5 CC1=C(C=NC=C1)Br 10003 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.5 CC1=C(N=CC=C1)Br 8086 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.5 CC1=CC=CC=C1Cl 5808 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.5 CC1=CC=CC=C1I 5298 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.5 CC1=NC=CN=C1C 10470 [1,1,0,0,0,0|0,0,0]=2 227 B8R1.1 C1=C(SC(=N1)Cl)CCl 9706 [0,1,0,0,1,0|2,0,0]=4 228 B8R1.1 CC1=NC(=CS1)CO M0721 [0,1,0,0,1,0|2,0,0]=4 229 B8R1.1 CC1=NOC(=C1)CO M0741 [0,1,0,0,1,0|2,0,0]=4 230 B8R1.1 CCC1=NN=C(S1)N 10132 [0,1,0,0,1,0|2,0,0]=4 231 B8R1.7 CC(=O)C1=CC=CS1 8482 [0,1,0,0,1,0|1,0,1]=4 232 B8R1.7 CC(=O)C1=CC=CS1 8660 [0,1,0,0,1,0|1,0,1]=4 233 B8R1.7 CC(=O)C1=NC=CS1 10337 [0,1,0,0,1,0|1,0,1]=4 234 B8R1.8 C1=C(NC=N1)CCN 8849 [0,1,0,0,1,0|0,0,1]=3 235 B8R1.8 C1=CSC(=C1)CC#N 6135 [0,1,0,0,1,0|1,0,1]=4 236 B8R1.8 CCOC1=NC=CS1 6125 [0,1,0,0,1,0|1,0,0]=3 237 B8R1.11 CN1C=CN=C1CO 10537 [0,1,0,0,1,0|1,0,1]=4 238 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [0,2,0,0,0,0|2,0,0]=4 240 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [0,2,0,0,0,0|2,0,0]=4 241 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [0,2,0,0,0,0|2,0,0]=4 242 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [0,2,0,0,0,0|2,0,0]=4 244 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.3 CCC1=CC=C(C=C1)C#C 10015 [0,2,0,0,0,0|2,0,0]=4 246 B10R1.3 COC1=NC=C(C=C1)C#N 10024 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.3 COC1=NC=C(C=C1)C=O 5473 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [0,2,0,0,0,0|1,0,1]=4 249 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,2,0,0,0,0|1,0,1]=4 252 B10R1.25 COC1=C(C=C(C=N1)Br)Br 9537 [0,2,0,0,0,0|2,0,0]=4 253 B10R1.25 COC1=C(C=C(C=N1)Cl)Br 6646 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.25 COC1=NC=C(C=C1N)Br 9588 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.176 CC1=C(C=CC(=N1)OC)Br 5248 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.176 CC1=CC(=NC=C1N)OC 5687 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.2 CCC1=C(C(=NC=N1)Cl)F 8648 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.8 CCC1=CC(=CC(=C1)F)F 8659 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [0,2,0,0,0,0|1,0,1]=4 263 B10R1.172 COC1=CC=CC(=N1)C=O 8456 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.172 COC1=CN=CC(=N1)OC 9384 [0,2,0,0,0,0|1,0,0]=3 265 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [0,2,0,0,0,0|1,0,1]=4 268 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.28 C1=CC(=CN=C1)C(F)(F)F 8366 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.28 C1=CC=NC(=C1)C(F)(F)F 6433 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,2,0,0,0,0|1,0,1]=4 272 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.61 CC(c1ccccc1N)O A1015 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,2,0,0,0,0|0,0,1]=3 276 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.4 CCOC1=CC=CC=C1F 5372 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.17 CNCCC1=CC=CC=N1 10522 [0,2,0,0,0,0|1,0,0]=3 280 B10R1.17 CNCCC1=CC=CC=N1 6724 [0,2,0,0,0,0|1,0,0]=3 281 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,2,0,0,0,0|1,0,1]=4 282 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.20 CCC1=CC=CC=C1NN 10327 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.20 CCC1=NC=CN=C1OC 5339 [0,2,0,0,0,0|0,0,0]=2 285 B10R2.7 c1ccc2c(c1)CCC2 I009 [0,1,0,1,0,0|2,0,0]=4 286 B6R1.2 C1=C(C=NN1)Br 6650 [1,0,0,0,1,0|2,0,0]=4 287 B6R1.2 C1=C(C=NN1)Cl 5689 [1,0,0,0,1,0|2,0,0]=4 288 B6R1.2 C1=C(C=NN1)I 10066 [1,0,0,0,1,0|2,0,0]=4 289 B6R1.2 C1=C(C=NN1)I 5132 [1,0,0,0,1,0|2,0,0]=4 290 B6R1.2 C1=C(N=CS1)Br 9723 [1,0,0,0,1,0|2,0,0]=4 291 B6R1.2 C1=C(NC=N1)Br 10481 [1,0,0,0,1,0|1,0,1]=4 292 B6R1.2 C1=C(NN=C1)N 5250 [1,0,0,0,1,0|2,0,0]=4 293 B6R1.2 C1=CON=C1N 6722 [1,0,0,0,1,0|2,0,0]=4 294 B6R1.2 C1=CSC(=C1)Br 5377 [1,0,0,0,1,0|2,0,0]=4 295 B6R1.2 C1=CSC(=C1)Cl 9477 [1,0,0,0,1,0|2,0,0]=4 296 B6R1.2 C1=CSC(=C1)I 9486 [1,0,0,0,1,0|2,0,0]=4 297 B6R1.2 C1=CSC(=N1)Br 5317 [1,0,0,0,1,0|2,0,0]=4 298 B6R1.2 C1=CSC(=N1)N 6775 [1,0,0,0,1,0|2,0,0]=4 299 B6R1.2 C1=CSC=C1Cl 9478 [1,0,0,0,1,0|2,0,0]=4 300 B6R1.2 C1=NNC(=N1)Br 5082 [1,0,0,0,1,0|2,0,0]=4 301 B6R1.2 CC1=CC=CS1 8742 [1,0,0,0,1,0|1,0,0]=3 302 B6R1.2 CC1=CC=NN1 8083 [1,0,0,0,1,0|1,0,0]=3 303 B6R1.2 CC1=CN=CN1 9563 [1,0,0,0,1,0|0,0,1]=3 304 B6R1.2 CC1=CSC=N1 8929 [1,0,0,0,1,0|1,0,0]=3 305 B6R1.2 CN1C=NC=N1 8972 [1,0,0,0,1,0|1,0,0]=3 306 B6R1.2 Cc1cccs1 M0049 [1,0,0,0,1,0|1,0,0]=3