0 B8R1.8 C=CCN1C=CN=C1 349309 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CCCC1=CC=CS1 003676 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCSC1=NN=NN1 002927 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CNCC1=CC=CO1 226183 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CC=CS1 065484 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 COCN1C=CN=C1 242375 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 ClCCC1=NN=NN1 068988 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 ClCCN1C=CC=C1 046765 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 ClCCN1C=CN=C1 005946 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 N#CCC1=CC=CS1 003048 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.8 N#CCC1=CSC=C1 046894 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.8 NCCC1=CC=CS1 021380 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCC1=CNC=N1 068673 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.8 NCCC1=CNC=N1 078943 [0,0,0,0,0,0|0,0,2]=2 14 B8R1.8 OCCC1=CC=CS1 208753 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 OCCC1=CSC=C1 076012 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 OCCN1C=CC=N1 036257 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.8 OCCN1C=CN=C1 005948 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 CCC1=CC=CN1 002567 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.1 CCC1=CC=CS1 001177 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 CCC1=CSC=C1 006141 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 CCC1=NC=CN1 018684 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 CCN1C=CC=C1 002566 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 CCN1C=CC=N1 068645 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 CCN1C=CN=C1 078976 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 COC1=CSC=C1 013627 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 CSC1=NN=CN1 009887 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 ClCC1=CNC=N1 016135 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.1 ClCC1=CSC=N1 013925 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 ClCC1=NC=CN1 023425 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 N#CC1=CC=CN1 024315 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.1 NCC1=CC=CO1 358202 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 NCC1=CC=CS1 092186 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 NCC1=CN=CO1 076442 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.1 NCC1=COC=N1 219245 [1,0,0,0,0,0|1,0,1]=3 35 B7R1.1 NCC1=NC=CS1 013114 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 NCC1=NNC=C1 043021 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 O=CC1=CC=CN1 043867 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 O=CC1=CN=CS1 016172 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 OCC1=CC=CO1 143000 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 OCC1=CC=CS1 208652 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 OCC1=CN=CS1 016175 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 OCC1=CNC=N1 016121 [1,0,0,0,0,0|1,0,2]=4 43 B7R1.1 OCC1=CNC=N1 067734 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.1 OCC1=COC=C1 092657 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 OCC1=CSC=C1 067714 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 OCC1=CSC=N1 016174 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 SCC1=CC=CO1 002796 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 SCC1=CC=CS1 104865 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.7 NCCN1C=C(Cl)C=N1 030426 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.11 CCC(=O)C1=CC=CN1 180052 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.11 NCC(O)C1=CC=CS1 019507 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.12 CCCCN1C=CN=C1 078630 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.12 NCCCN1C=CN=C1 046713 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.12 OCCCN1C=CN=C1 034932 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.33 CC1=C(CCO)SC=N1 067726 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.8 BrCCC1=CC=CC=C1 019261 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.8 CCCC1=CC=CC=C1 095067 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.8 CCCC1=CC=NC=C1 235894 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.8 CCCC1=NC=CC=C1 242850 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.8 CCCC1=NC=CN=C1 002735 [0,0,0,0,0,1|1,0,1]=3 61 B9R1.8 CNCC1=CC=NC=C1 046176 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.8 ClCCC1=CC=CC=C1 208883 [0,0,0,0,0,1|3,0,0]=4 63 B9R1.8 ClCCC1=CC=CC=N1 070463 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.8 ICCC1=CC=CC=C1 001087 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.8 NCCC1=CC=CC=C1 046873 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.8 NCCC1=CC=CN=C1 010689 [0,0,0,0,0,1|1,0,0]=2 67 B9R1.8 NCCC1=CC=CN=C1 033239 [0,0,0,0,0,1|1,0,0]=2 68 B9R1.8 NCCC1=CC=CN=C1 065473 [0,0,0,0,0,1|1,0,0]=2 69 B9R1.8 NCCC1=CC=NC=C1 010690 [0,0,0,0,0,1|1,0,0]=2 70 B9R1.8 NCCC1=CCCCC1 233674 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.8 NCCC1=NC=CC=C1 013702 [0,0,0,0,0,1|1,0,1]=3 72 B9R1.8 NNCC1=CC=CC=C1 036859 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.8 NOCC1=CC=CC=C1 036957 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.8 OCCC1=CC=CC=C1 222397 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.8 OCCC1=CC=CN=C1 017523 [0,0,0,0,0,1|2,0,0]=3 76 B9R1.8 OCCC1=CC=NC=C1 228335 [0,0,0,0,0,1|2,0,0]=3 77 B9R1.8 OCCC1=NC=CC=C1 223718 [0,0,0,0,0,1|2,0,1]=4 78 B6R0.6 CCC\C=C\C=O 098868 [1,0,1,0,0,0|2,0,0]=4 79 B6R1.2 CC1=CC=CN1 214609 [2,0,0,0,0,0|1,0,0]=3 80 B6R1.2 CC1=CC=CO1 463359 [2,0,0,0,0,0|2,0,0]=4 81 B6R1.2 CC1=CC=CS1 001209 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.2 CC1=CNC=N1 078608 [2,0,0,0,0,0|0,0,2]=4 83 B6R1.2 CC1=CNN=C1 043307 [2,0,0,0,0,0|2,0,0]=4 84 B6R1.2 CC1=COC=N1 224056 [2,0,0,0,0,0|1,0,1]=4 85 B6R1.2 CC1=CSC=C1 003448 [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 CC1=CSC=N1 002765 [2,0,0,0,0,0|1,0,1]=4 87 B6R1.2 CC1=NC=CN1 157400 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 CN1C=CN=C1 005002 [2,0,0,0,0,0|2,0,0]=4 89 B6R1.2 CN1C=CN=C1 245803 [2,0,0,0,0,0|2,0,0]=4 90 B6R1.2 CN1C=NC=N1 043664 [2,0,0,0,0,0|1,0,1]=4 91 B6R1.2 NC1=CNN=C1 043675 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 NC1=CSC=C1 049735 [2,0,0,0,0,0|2,0,0]=4 93 B6R1.2 NC1=NC=CN1 013113 [2,0,0,0,0,0|2,0,0]=4 94 B6R1.2 NC1=NC=CN1 076511 [2,0,0,0,0,0|2,0,0]=4 95 B6R1.2 NC1=NC=NS1 013903 [2,0,0,0,0,0|1,0,1]=4 96 B6R1.2 NC1=NN=CS1 064997 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 NC1=NN=NN1 494182 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.1 CC1=CC=C(CN)O1 225706 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.1 CC1=CSC(CN)=C1 023898 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.1 CC1=NNC(CN)=C1 058640 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.1 CCC1=NC=C(C)N1 403581 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.1 CCC1=NN=C(N)O1 009901 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.1 CN1C=C(CN)C=N1 030587 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.1 ClCC1=CN=C(Cl)S1 016115 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.1 NCC1=CC(Br)=CS1 091824 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.1 OCC1=CN=C(Br)S1 079893 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.7 CC(=O)C1=CC=CN1 002744 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.7 CC(C)C1=NC=CN1 235680 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.7 CC(N)C1=CC=CS1 044441 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.7 NC(=S)C1=CC=CN1 097983 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.11 C#CC1=CN=CN1C 233858 [1,1,0,0,0,0|0,0,2]=4 112 B8R1.11 CC1=C(C=O)NC=N1 065296 [1,1,0,0,0,0|1,0,1]=4 113 B8R1.11 CC1=C(CO)NC=N1 077905 [1,1,0,0,0,0|1,0,0]=3 114 B8R1.11 CC1=C(CO)SC=N1 217920 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.11 CN1C=CN=C1CN 041898 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.11 CN1C=NC=C1CO 236726 [1,1,0,0,0,0|1,0,0]=3 117 B8R1.11 NNC1=NN=CN1N 061180 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.4 CCCC1=CC=NC=C1C 032545 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.4 NCCC1=CC=CC=C1Br 067221 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.17 CCNCC1=CC=CN=C1 046110 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.17 CNCCC1=CC=CC=C1 046956 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.17 CNCCC1=NC=CC=C1 065480 [0,1,0,0,0,1|1,0,1]=4 144 B10R1.17 NCCCC1=CC=CC=C1 008890 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.17 NCCNC1=CC=CC=C1 320056 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.17 NCCNC1=CC=NC=C1 033853 [0,1,0,0,0,1|1,0,0]=3 147 B10R1.17 NCCOC1=CC=CC=C1 078737 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.17 OCCCC1=CC=CN=C1 032639 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.17 OCCCC1=CC=NC=C1 093367 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.17 OCCNC1=CC=NC=C1 034928 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.149 CC1=C(C(=O)NN)NC=N1 313262 [0,2,0,0,0,0|1,0,1]=4 153 B10R1.187 CC1=NOC(C)=C1CCN 015400 [0,2,0,0,0,0|2,0,0]=4 154 B8R1.2 NCC1=CC=CN=C1 078185 [0,0,1,1,0,0|1,0,1]=4 155 B8R1.2 NCC1=CC=NC=C1 065475 [0,0,1,1,0,0|1,0,1]=4 156 B8R1.5 NC1=CC=CN=C1N 013506 [0,0,1,1,0,0|0,0,2]=4 157 B8R1.5 NC1=NC=CN=C1N 080010 [0,0,1,1,0,0|1,0,1]=4 158 B8R1.4 NC1=CN=CC(N)=N1 079286 [0,0,1,1,0,0|1,0,1]=4 159 B8R1.4 O=C1CCNC(=O)N1 319958 [0,0,1,1,0,0|2,0,0]=4 160 B10R2.7 C1=CC=C2NCCC2=C1 068790 [0,0,0,1,0,1|2,0,0]=4 161 B10R2.7 C1=CN=C2CCCC2=C1 075302 [0,0,0,1,0,1|2,0,0]=4 162 B10R2.2 NC1=NC2=C(CCC2)S1 009936 [0,1,0,1,0,0|2,0,0]=4 163 B10R2.14 NC1=NN=C(C2CC2)N1 021274 [0,1,0,1,0,0|2,0,0]=4