0 B8R1.8 CCCC1=NC=CS1 9241AA [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CCCN1C=CC=N1 Z0507 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 CNCC1=CC=CS1 V7562 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CNCC1=CC=CS1 W7142 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CSCC1=CC=CO1 9711AJ [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 ClCCC1=NN=NN1 L816 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 ClCCN1C=CC=N1 X5413 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.8 ClCCN1C=CN=C1 9891AA [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 N#CCN1C=NC=N1 W8591 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.8 NCCC1=CN=CN1 Y9749 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.8 NCCC1=CSC=C1 Y8818 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCC1=NC=CS1 Y1661 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.8 NCCC1=NC=CS1 Y8064 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.8 NCCC1=NN=NN1 0701AE [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NCCN1C=CN=C1 V2457 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 OCCC1=CNC=N1 W8955 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.8 OCCN1C=CC=N1 V7005 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.8 OCCN1C=NN=C1 0251AC [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 C=CC1=CN=CN1 4743AB [1,0,0,0,0,0|0,0,2]=3 19 B7R1.1 CCC1=CC=CN1 Y7642 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.1 CCC1=CSC=C1 X4152 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 CCC1=NCCN1 5611AL [1,0,0,0,0,0|2,0,1]=4 22 B7R1.1 CCC1=NN=NN1 Y5035 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 CCN1C=CC=C1 6758AE [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 CCN1C=NC=N1 8559AA [1,0,0,0,0,0|1,0,1]=3 25 B7R1.1 CSC1=CC=CS1 Z0707 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 CSC1=CSC=C1 Z0368 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 CSC1=NC=CN1 5294AJ [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 CSC1=NC=NN1 9053AE [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 ClCC1=CC=NN1 0765AC [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 ClCC1=CN=CS1 Z4079 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 ClCC1=CNC=N1 1651AB [1,0,0,0,0,0|1,0,2]=4 32 B7R1.1 ClCC1=CNC=N1 V5652 [1,0,0,0,0,0|1,0,2]=4 33 B7R1.1 N#CC1=CC=CN1 Y6238 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.1 N#CC1=CN=CS1 W4910 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.1 NCC1=CC=CN1 X9903 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.1 NCC1=CC=NO1 6076AB [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 NCC1=CN=CO1 7605AH [1,0,0,0,0,0|1,0,0]=2 38 B7R1.1 NCC1=CN=CO1 X9388 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,0,0|1,0,0]=2 40 B7R1.1 NCC1=CN=CS1 W3518 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.1 NCC1=CN=CS1 Z3440 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.1 NCC1=CNC=C1 4647AC [1,0,0,0,0,0|1,0,1]=3 43 B7R1.1 NCC1=CNC=N1 W7724 [1,0,0,0,0,0|0,0,2]=3 44 B7R1.1 NCC1=COC=N1 Y6958 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.1 NCC1=CSC=C1 Y8534 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.1 NCC1=CSC=N1 6554AH [1,0,0,0,0,0|1,0,1]=3 47 B7R1.1 NCC1=NC=CN1 6710AA [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 NCC1=NC=CS1 3144AC [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 NCC1=NC=CS1 W6779 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 NCC1=NNC=C1 W5849 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.1 NCC1=NNC=C1 X6524 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.1 NCC1=NOC=C1 5768AA [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 OCC1=CC=NN1 1603AB [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 OCC1=CN=CO1 X9696 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 OCC1=CNC=N1 W8610 [1,0,0,0,0,0|1,0,2]=4 56 B7R1.1 OCC1=CNN=C1 W4849 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 OCC1=COC=N1 V3523 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 OCC1=CSC=N1 X0268 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 OCN1C=NC=N1 1023AL [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 SCC1=CC=CO1 Z5487 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 SCC1=CC=CS1 7988AJ [1,0,0,0,0,0|3,0,0]=4 62 B9R1.7 CC1=NC(CCO)=CS1 5194AJ [0,1,0,0,0,0|2,0,1]=4 63 B9R1.7 CCCC1=NN=C(N)O1 8345AE [0,1,0,0,0,0|3,0,0]=4 64 B9R1.7 CCCN1C=NC(N)=N1 6104AE [0,1,0,0,0,0|2,0,1]=4 65 B9R1.7 NCCC1=CC=C(Br)S1 1208AJ [0,1,0,0,0,0|2,0,0]=3 66 B9R1.11 CCC(=O)C1=CC=CN1 2175AL [0,1,0,0,0,0|2,0,1]=4 67 B9R1.11 COC(=O)C1=CN=CN1 5358AA [0,1,0,0,0,0|2,0,1]=4 68 B9R1.11 NNC(=O)C1=CN=CS1 Y6785 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.11 O=C(CBr)C1=CC=CN1 Z2515 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.12 CCCCC1=CC=CS1 Z5462 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.12 CCNCC1=CC=CS1 V6759 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.12 CCOCC1=CC=CO1 Z4965 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.12 ClCCCN1C=CN=C1 4934AJ [0,1,0,0,0,0|3,0,0]=4 74 B9R1.12 N#CCCN1C=CN=C1 1704AB [0,1,0,0,0,0|2,0,1]=4 75 B9R1.12 OCCCC1=CC=CS1 X0200 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,1,0,0,0,0|3,0,0]=4 77 B9R1.13 CC(N)CN1C=CC=N1 3672AF [0,1,0,0,0,0|2,0,1]=4 78 B9R1.13 CN(C)CC1=CC=CN1 4514AD [0,1,0,0,0,0|3,0,0]=4 79 B9R1.33 CC1=NC=CN1CCN X9064 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.33 CN1C=CN=C1CCN Y4448 [0,1,0,0,0,0|2,0,0]=3 81 B9R2.2 C1=NC(C2CC2)=CS1 6153AJ [0,0,0,1,0,0|2,0,1]=4 82 B9R2.2 C1=NNC(C2CC2)=C1 8385AC [0,0,0,1,0,0|3,0,0]=4 83 B9R2.3 C1=CN2CCCC2=N1 8877AB [0,0,0,1,0,0|3,0,0]=4 84 B9R1.8 BrCCC1=NC=CC=C1 W8132 [0,0,0,0,0,1|2,0,1]=4 85 B9R1.8 CCCC1=NC=CC=C1 C946 [0,0,0,0,0,1|2,0,1]=4 86 B9R1.8 CCCC1=NC=CN=C1 6087AD [0,0,0,0,0,1|1,0,1]=3 87 B9R1.8 CNCC1=CN=CC=C1 7435AH [0,0,0,0,0,1|3,0,0]=4 88 B9R1.8 COCC1=CC=CN=C1 5231AH [0,0,0,0,0,1|3,0,0]=4 89 B9R1.8 COCC1=CC=NC=C1 5493AH [0,0,0,0,0,1|3,0,0]=4 90 B9R1.8 ClCCC1=NC=CC=C1 W3687 [0,0,0,0,0,1|2,0,1]=4 91 B9R1.8 ICCC1=CC=CC=C1 4037AL [0,0,0,0,0,1|3,0,0]=4 92 B9R1.8 N#CCC1=NC=CN=C1 7112AB [0,0,0,0,0,1|0,0,3]=4 93 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,0,0,0,0,1|2,0,0]=3 94 B9R1.8 NCCC1=CC=CN=C1 9756AD [0,0,0,0,0,1|1,0,0]=2 95 B9R1.8 NCCC1=CC=CN=C1 W8702 [0,0,0,0,0,1|1,0,0]=2 96 B9R1.8 NCCC1=CC=NC=C1 W7604 [0,0,0,0,0,1|1,0,0]=2 97 B9R1.8 NNCC1=CC=NC=C1 2364AF [0,0,0,0,0,1|2,0,0]=3 98 B9R1.8 OCCC1=CC=CC=C1 V0900 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.8 OCCC1=CC=CN=C1 Y9667 [0,0,0,0,0,1|2,0,0]=3 100 B9R1.8 OCCC1=CC=NC=C1 6680AL [0,0,0,0,0,1|2,0,0]=3 101 B6R0.1 CCC\C(N)=N\O 8990AD [1,0,1,0,0,0|2,0,0]=4 102 B6R0.1 CNC(=O)CCN 4757AE [1,0,1,0,0,0|1,0,1]=4 103 B6R1.2 CC1=CN=CS1 W5735 [2,0,0,0,0,0|1,0,0]=3 104 B6R1.2 CC1=COC=N1 Z5040 [2,0,0,0,0,0|1,0,1]=4 105 B6R1.2 CC1=NN=CO1 Z4625 [2,0,0,0,0,0|2,0,0]=4 106 B6R1.2 FC1=CN=CN1 Z6040 [2,0,0,0,0,0|1,0,0]=3 107 B6R1.2 NC1=CC=NO1 Z4172 [2,0,0,0,0,0|2,0,0]=4 108 B6R1.2 NC1=CN=CS1 W9667 [2,0,0,0,0,0|1,0,0]=3 109 B6R1.2 NC1=CNN=C1 9866AH [2,0,0,0,0,0|2,0,0]=4 110 B6R1.2 NC1=CNN=C1 W6270 [2,0,0,0,0,0|2,0,0]=4 111 B6R1.2 NC1=CSC=C1 2074AB [2,0,0,0,0,0|2,0,0]=4 112 B6R1.2 NC1=CSC=C1 W8854 [2,0,0,0,0,0|2,0,0]=4 113 B6R1.2 NC1=NC=CN1 V6725 [2,0,0,0,0,0|2,0,0]=4 114 B6R1.2 NC1=NC=CN1 Z4665 [2,0,0,0,0,0|2,0,0]=4 115 B6R1.2 NC1=NC=NS1 V2374 [2,0,0,0,0,0|1,0,1]=4 116 B6R1.2 NC1=NN=CO1 0114AP [2,0,0,0,0,0|2,0,0]=4 117 B8R1.1 CC1=NC(CN)=CS1 Y6880 [1,1,0,0,0,0|1,0,1]=4 118 B8R1.1 CC1=NC=C(CO)S1 8183AB [1,1,0,0,0,0|2,0,0]=4 119 B8R1.1 CC1=NN=C(CN)O1 6665AE [1,1,0,0,0,0|2,0,0]=4 120 B8R1.1 CCC1=NN=C(O)S1 3791AD [1,1,0,0,0,0|2,0,0]=4 121 B8R1.1 CN1C=C(CN)C=N1 0373AD [1,1,0,0,0,0|2,0,0]=4 122 B8R1.1 CN1C=C(CN)C=N1 X8957 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.1 CN1C=C(CN)C=N1 Y5423 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.1 NCC1=CC=C(Br)S1 Z6237 [1,1,0,0,0,0|2,0,0]=4 125 B8R1.1 NCC1=CN=C(Cl)S1 W3344 [1,1,0,0,0,0|1,0,0]=3 126 B8R1.1 NCC1=CN=C(Cl)S1 X9440 [1,1,0,0,0,0|1,0,0]=3 127 B8R1.1 OCC1=CN=C(Br)S1 W7872 [1,1,0,0,0,0|2,0,0]=4 128 B8R1.1 OCC1=CN=C(Cl)S1 W3166 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.7 CC(C)C1=CC=CO1 U090 [1,1,0,0,0,0|2,0,0]=4 130 B8R1.7 CC(N)C1=COC=C1 2007AB [1,1,0,0,0,0|2,0,0]=4 131 B8R1.7 NC(=O)C1=CN=CS1 Y5540 [1,1,0,0,0,0|1,0,1]=4 132 B8R1.11 C#CC1=CN=CN1C Y9902 [1,1,0,0,0,0|0,0,2]=4 133 B8R1.11 CCC1=CNN=C1N X8546 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.11 CCC1=NN=NN1C Y5054 [1,1,0,0,0,0|2,0,0]=4 135 B8R1.11 CN1C=CC=C1CN Y9856 [1,1,0,0,0,0|1,0,0]=3 136 B8R1.11 CN1C=NC=C1CO Y8968 [1,1,0,0,0,0|1,0,0]=3 137 B8R1.11 CN1N=CC=C1CN Y5590 [1,1,0,0,0,0|2,0,0]=4 138 B8R1.11 OCC1=C(Br)N=CS1 W4969 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [0,1,0,0,0,1|2,0,0]=4 140 B10R1.1 CCCC1=CN=C(Cl)N=C1 7472AD [0,1,0,0,0,1|1,0,1]=4 141 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [0,1,0,0,0,1|2,0,0]=4 142 B10R1.1 OCCC1=CC=C(Cl)N=C1 1226AJ [0,1,0,0,0,1|2,0,0]=4 143 B10R1.4 CC1=CC=CC=C1CCN S579 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.4 CCCC1=CC=NC=C1C 1078AE [0,1,0,0,0,1|2,0,0]=4 145 B10R1.4 CCCC1=NC=CN=C1C 5716AL [0,1,0,0,0,1|1,0,1]=4 146 B10R1.4 NCCC1=CC=CC=C1Br Z8825 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.4 NCCC1=CC=CC=C1N X9142 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [0,1,0,0,0,1|2,0,0]=4 149 B10R1.10 NCCC1=CC=CC(Br)=C1 V4368 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.15 CCC(C)C1=NC=CN=C1 R546 [0,1,0,0,0,1|1,0,1]=4 152 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,1,0,0,0,1|2,0,0]=4 153 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,1,0,0,0,1|2,0,0]=4 155 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [0,1,0,0,0,1|1,0,0]=3 156 B10R1.15 NCC(O)C1=NC=CC=C1 4964AH [0,1,0,0,0,1|1,0,1]=4 157 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,1,0,0,0,1|1,0,0]=3 159 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,1,0,0,0,1|1,0,0]=3 160 B10R1.17 NCCCC1=CC=NC=C1 3209AB [0,1,0,0,0,1|1,0,0]=3 161 B10R1.17 NCCOC1=NC=CC=C1 W5199 [0,1,0,0,0,1|1,0,1]=4 162 B10R1.17 NNCCC1=CC=CC=C1 4752AE [0,1,0,0,0,1|2,0,0]=4 163 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [0,1,0,0,0,1|1,0,0]=3 164 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [0,1,0,0,0,1|1,0,1]=4 165 B8R1.2 NCC1=CC=NC=C1 Z3385 [0,0,1,1,0,0|1,0,1]=4 166 B8R1.2 NCC1=CN=CN=C1 W4845 [0,0,1,1,0,0|0,0,2]=4 167 B8R1.2 NCC1=NC=NC=C1 9281AB [0,0,1,1,0,0|0,0,2]=4 168 B8R1.5 NC1=NC=CN=C1N X9790 [0,0,1,1,0,0|1,0,1]=4 169 B8R1.4 NC1=CN=CC(N)=C1 X3369 [0,0,1,1,0,0|0,0,2]=4 170 B8R1.4 NC1=CN=CC(N)=N1 W9891 [0,0,1,1,0,0|1,0,1]=4 171 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [0,0,0,1,0,1|1,0,0]=3 172 B10R2.136 C1=CN(C2CNC2)C=N1 7721AA [0,1,0,1,0,0|2,0,0]=4