0 B10R1.18 CC(=O)NC1=CC=CC=C1 0118671148 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)OC1=CC=CC=C1 5970182 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(C)NC1=CC=CC=C1 1220423 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CN(C)CC1=CC=CC=C1 2827061 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 FC(F)SC1=CC=CC=C1 1779696 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 BrCCC1=CC=CC=C1 2889217 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CCCC1=CC=CC=C1 2826136 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 CCNC1=CC=CC=C1 1220427 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 CCOC1=CC=CC=C1 2826174 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 CNCC1=CC=CC=C1 1268163 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 ClCCC1=CC=CC=C1 2827551 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 N#CCC1=CC=CC=C1 1519434 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 N#CCC1=NC=CC=C1 1287098 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 NCCC1=CC=CC=C1 1038619 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 NNCC1=CC=CC=C1 1972969 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 O=CCC1=CC=CC=C1 1204419 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 OCCC1=CC=CC=C1 1204382 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 OCCC1=CC=CC=N1 1204379 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 2084123 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.20 CC(C)NC1=NC=C(N)C=C1 1119911 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.20 CC(C)OC1=CC=C(N)C=C1 1232804 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 3355149 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.40 CC(CN)CC1=CC=CC=C1 1048249 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.40 COC(=O)CC1=CC=CC=C1 1902120 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.40 NC(CO)CC1=CC=CC=C1 7020694207 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.40 O=C(CCl)NC1=NC=CC=C1 1194680 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 1056056 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.157 CC(C)CC1=CC=CC(N)=C1 1366801 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.157 CN(C)CC1=CC(O)=CC=C1 3669154 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.509 CC(C)(O)CC1=CC=CC=C1 1271932 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 2842445 [0,1,0,0,0,0|2,0,0]=3 35 B11R2.10 CC1CC2=C(C=CC=C2)N1 14991776 [0,0,0,1,0,0|2,0,0]=3 36 B11R2.10 O=C1CC2=CC=CC=C2C1 15296930 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.6 C=C(C)C1=CC=CC=C1 2826092 [0,0,0,0,1,0|1,0,2]=4 38 B9R1.6 CC(=O)C1=CC=CC=C1 1043797 [0,0,0,0,1,0|2,0,1]=4 39 B9R1.6 CC(=O)C1=NC=CC=C1 2826149 [0,0,0,0,1,0|1,0,1]=3 40 B9R1.6 CC(=O)C1=NC=CN=C1 15386267 [0,0,0,0,1,0|2,0,1]=4 41 B9R1.6 CC(Br)C1=CC=CC=C1 2024133 [0,0,0,0,1,0|2,0,0]=3 42 B9R1.6 CC(C)C1=CC=CC=C1 2826137 [0,0,0,0,1,0|1,0,0]=2 43 B9R1.6 CC(N)C1=CC=CC=C1 1500421 [0,0,0,0,1,0|2,0,0]=3 44 B9R1.6 CC(O)C1=NC=CC=C1 2422301 [0,0,0,0,1,0|1,0,0]=2 45 B9R1.6 CN(C)C1=CC=CC=C1 2826155 [0,0,0,0,1,0|2,0,0]=3 46 B9R1.6 CN(C)C1=CC=NC=C1 2826184 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.6 NC(=S)C1=NC=CC=C1 7213750105 [0,0,0,0,1,0|2,0,1]=4 48 B9R1.6 O=C(O)C1=NC=CC=C1 1051744 [0,0,0,0,1,0|2,0,1]=4 49 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [0,0,0,0,0,1|1,0,2]=4 50 B11R1.91 CC(=O)CCC1=CC=CC=C1 1043589 [0,0,0,0,0,1|2,0,1]=4 51 B11R1.91 CC(=O)NCC1=CC=CC=N1 3851354 [0,0,0,0,0,1|1,0,1]=3 52 B11R1.91 CC(C)NCC1=CC=CC=C1 1366807 [0,0,0,0,0,1|1,0,0]=2 53 B11R1.91 CC(O)\C=C\C1=CC=CC=C1 3355102 [0,0,0,0,0,1|2,0,1]=4 54 B11R1.91 O=C(O)CCC1=CC=CC=N1 1499995 [0,0,0,0,0,1|2,0,1]=4 55 B11R1.91 O=C(O)CSC1=CC=CC=N1 1500183 [0,0,0,0,0,1|2,0,1]=4 56 B8R1.2 BrCC1=CC=CC=C1 2844339 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 CCC1=CC=CC=C1 2825676 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.2 CNC1=CC=CC=C1 1366528 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 COC1=CC=CC=C1 2825706 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 CSC1=CC=CC=C1 2826254 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 ClCC1=CC=CC=C1 1778716 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 N#CC1=CC=CC=N1 2129613 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.2 NCC1=CC=CC=C1 1038608 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 NCC1=CC=CC=C1 6057147 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 NNC1=NC=CC=C1 1060375 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 O=CC1=NC=CC=C1 2084333 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.2 OCC1=CC=CC=C1 1778593 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 SCC1=CC=CC=C1 1972971 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.1 CC1=CC=C(CCCl)C=C1 1277178 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.1 CC1=CC=C(CCN)C=C1 1038622 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.1 CCOC1=CC=C(N)C=C1 1314575 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.1 CCOC1=CC=C(O)C=C1 1506720 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.1 NCCC1=CC=C(F)C=C1 1038624 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.1 OCCC1=CC=C(Br)C=C1 1204413 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.4 CCOC1=C(O)C=CC=C1 2827244 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 CCOC1=CC=CC=C1N 1314577 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.4 NCCC1=CC=CC=C1F 6051017 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.10 CCNC1=CC=CC(C)=C1 1220439 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.15 CC(CN)C1=NC=CC=C1 1883428 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.15 CCC(=O)C1=CC=CC=C1 1043816 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.15 COC(=O)C1=NC=CC=C1 1311479 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.15 OC(CCl)C1=CC=CC=C1 1500436 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.17 CCCCC1=CC=CC=C1 2827024 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.17 CCNCC1=CC=CC=C1 1366645 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.17 CNCCC1=NC=CC=C1 4347309 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.17 N#CCCC1=NC=CC=C1 1973037 [1,1,0,0,0,0|0,0,1]=3 102 B10R1.17 NCCCC1=CC=CN=C1 1038705 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.17 NCCNC1=NC=CC=N1 15298417 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.17 NCCSC1=CC=CC=C1 6137840 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.17 NNCCC1=CC=CC=C1 9080668 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.17 OCCNC1=CC=CC=C1 1866520 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.17 OCCOC1=CC=CC=C1 1275759 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.17 SCCOC1=CC=CC=C1 1310591 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.13 CC(C)C1=CC=C(N)C=C1 2827066 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.13 CC(C)C1=CC=C(N)C=C1 3585954 [0,1,0,0,1,0|1,0,0]=3 113 B10R1.13 CC(C)C1=CC=C(O)C=C1 2827119 [0,1,0,0,1,0|1,0,0]=3 114 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 1366992 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.13 CC1=CC=C(C(C)Br)C=C1 2024134 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.13 CC1=CC=C(C(C)C)C=C1 2827025 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.13 CC1=CC=C(C(C)O)C=C1 1366658 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.13 CN(C)C1=CC=C(Br)C=C1 1362066 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.13 CN(C)C1=CC=C(N)C=C1 1512285 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.28 CC(C)(C)C1=CC=CC=C1 2827021 [0,1,0,0,1,0|1,0,0]=3 121 B10R1.28 CC(C)(O)C1=CC=NC=C1 5028374 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.61 CC(C)C1=C(N)C=CC=C1 2827067 [0,1,0,0,1,0|1,0,0]=3 123 B10R1.61 CC(C)C1=C(O)C=CC=C1 2827124 [0,1,0,0,1,0|1,0,0]=3 124 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3485526 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.113 CC(C)C1=CC=CC(O)=C1 2827127 [0,1,0,0,1,0|1,0,0]=3 126 B10R1.113 CC(C)C1=NC=CC(=O)N1 2422845 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.113 CN(C)C1=CC=CC(Br)=C1 1287426 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.113 CN(C)C1=CC=CC(N)=C1 1232815 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.54 CC(C)CC1=NN=C(N)S1 7017655680 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.54 CC1=CC=C(CN(C)C)O1 5012627 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.54 CN(C)CC1=CSC(N)=N1 1198714 [0,1,0,0,1,0|2,0,0]=4 132 B12R1.21 CC(C)CNC1=NN=C(Cl)C=C1 2331967 [0,1,0,0,0,1|1,0,0]=3 133 B12R1.21 CC(C)COC1=CC=C(N)C=C1 1232803 [0,1,0,0,0,1|1,0,0]=3 134 B12R1.21 CC(N)CCC1=CC=C(Br)C=C1 1043659 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 7020610568 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.27 NCC(=O)NCC1=NC=CC=C1 11182084 [0,1,0,0,0,1|1,0,1]=4 137 B12R1.43 CC(C)C(O)CC1=CC=CC=C1 1367215 [0,1,0,0,0,1|1,0,0]=3 138 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 1367105 [0,1,0,0,0,1|1,0,0]=3 139 B12R1.107 CC(C)CC(O)C1=CC=CC=C1 1367206 [0,1,0,0,0,1|1,0,0]=3 140 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 1274831 [0,1,0,0,0,1|2,0,0]=4 141 B12R1.226 CC(C)CNC1=NC(=O)NN=C1 7020350051 [0,1,0,0,0,1|2,0,0]=4 142 B12R1.226 CC(C)CNC1=NN=CC(=O)N1 7018801343 [0,1,0,0,0,1|2,0,0]=4 143 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 2269335 [0,1,0,0,0,1|1,0,0]=3 144 B12R1.226 CC(C)OCC1=CC=CC(O)=C1 7801647 [0,1,0,0,0,1|1,0,0]=3 145 B12R1.4 CC(C)CC1=CC=C(C#N)C=C1 1779672 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 1506893 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 7020610960 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 1043845 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 1043844 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 1043837 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.106 CC(C)(C)CC1=CC=C(O)C=C1 22430419 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.106 CC(C)(C)OC1=CC=C(N)C=C1 1358763 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.106 CC1=CC=C(CC(C)(C)N)C=C1 1040868 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.233 CN(C)CC1=CC=C(N)C=C1Cl 1133304 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.253 CC(C)S(=O)(=O)C1=CC=CC=C1 6922306 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 1367104 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 7020410109 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 7020410094 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 1901320 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 0112842328 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 2129576 [0,2,0,0,0,0|2,0,0]=4 162 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [1,0,0,1,0,0|2,0,0]=4 163 B10R2.6 C1=CC=C(C2CO2)C=C1 1205184 [1,0,0,1,0,0|2,0,0]=4 164 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [1,0,0,1,0,0|2,0,0]=4 165 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [1,0,0,1,0,0|2,0,0]=4 166 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [1,0,0,1,0,0|1,0,0]=3 167 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [1,0,0,1,0,0|2,0,0]=4 168 B12R2.24 CC1CNC2=CC=CC=C2C1 1050537 [0,0,0,1,0,1|1,0,0]=3 169 B12R2.24 CC1CNC2=CC=CC=C2O1 1217660 [0,0,0,1,0,1|2,0,0]=4 170 B12R2.24 CC1CNC2=CC=CC=C2O1 2204844 [0,0,0,1,0,1|2,0,0]=4 171 B12R2.24 NC1COC2=CC=CC=C2C1 1179713 [0,0,0,1,0,1|2,0,0]=4 172 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 2829085 [0,0,0,1,0,1|2,0,0]=4 173 B12R2.79 NC1CC1C2=CC=C(O)C=C2 2202859 [0,1,0,1,0,0|2,0,0]=4 174 B12R2.606 CN1CC2=C(C=C(N)C=C2)C1 1088341 [0,1,0,1,0,0|2,0,0]=4 175 B12R2.18 NC1CC2=CC=CC=C2C1O 2048787 [0,1,0,1,0,0|2,0,0]=4 176 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 1041752 [0,1,0,1,0,0|1,0,1]=4 177 B12R2.27 NCC1CC1C2=CC=CC=C2 1779160 [0,1,0,1,0,0|1,0,0]=3 178 B12R2.32 BrCC1CC2=CC=CC=C2O1 1118572 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.8 NCCC1=CNC=N1 3354315 [1,0,0,0,1,0|2,0,0]=4 180 B8R1.8 NCCC1=CNC=N1 4434673 [1,0,0,0,1,0|2,0,0]=4 181 B8R1.8 NCCC1=CSC=N1 7020691339 [1,0,0,0,1,0|2,0,0]=4 182 B8R1.8 NCCC1=NC=CS1 1059793 [1,0,0,0,1,0|2,0,0]=4 183 B8R1.8 NCCC1=NC=CS1 3851317 [1,0,0,0,1,0|2,0,0]=4 184 B8R1.8 NCCN1C=CC=C1 1048773 [1,0,0,0,1,0|2,0,0]=4 185 B8R1.8 NCCN1C=CC=C1 8916334 [1,0,0,0,1,0|2,0,0]=4 186 B8R1.8 NCCN1C=CC=N1 7138650 [1,0,0,0,1,0|2,0,0]=4 187 B8R1.8 OCCC1=CC=CS1 22430596 [1,0,0,0,1,0|2,0,0]=4 188 B8R1.7 CC(O)C1=CC=CS1 1366588 [0,0,0,0,2,0|2,0,0]=4 189 B8R1.7 C[C@H](N)C1=NC=CS1 2630925 [0,0,0,0,2,0|2,0,0]=4