0 B10R1.18 CC(=O)NC1=CC=CC=C1 0118671148 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)OC1=CC=CC=C1 5970182 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(C)NC1=CC=CC=C1 1220423 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CN(C)CC1=CC=CC=C1 2827061 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 FC(F)SC1=CC=CC=C1 1779696 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 NC(=O)NC1=CC=CC=C1 1778870 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [0,0,0,0,0,0|1,1,0]=2 7 B10R1.18 NC(=S)NC1=CC=CC=C1 1001333 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.8 BrCCC1=CC=CC=C1 2889217 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 CCCC1=CC=CC=C1 2826136 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 CCNC1=CC=CC=C1 1220427 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 CCOC1=CC=CC=C1 2826174 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CNCC1=CC=CC=C1 1268163 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 ClCCC1=CC=CC=C1 2827551 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 N#CCC1=CC=CC=C1 1519434 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 N#CCC1=NC=CC=C1 1287098 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NCCC1=CC=CC=C1 1038619 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 NNCC1=CC=CC=C1 1972969 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 O=C=NC1=CC=CC=C1 1051736 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 O=C=NC1=CN=CC=C1 2817269 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 O=CCC1=CC=CC=C1 1204419 [1,0,0,0,0,0|0,0,0]=1 23 B9R1.8 O=CNC1=CC=CC=C1 2826151 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 OCCC1=CC=CC=C1 1204382 [1,0,0,0,0,0|0,0,1]=2 25 B9R1.8 OCCC1=CC=CC=N1 1204379 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 2084123 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 7112901193 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 1166810 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 0125160280 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.20 CC(=O)NC1=CN=C(S)C=C1 1514513 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 7020330563 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 0112150026 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.20 N=C(N)NC1=CC=C(O)C=C1 12405421 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 1060383 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 1782632 [0,1,0,0,0,0|1,1,0]=3 37 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 7110950115 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 1509952 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 1051730 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 1287087 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 1113743 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 7020330564 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 2630838 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.20 S=C(S)NC1=CC=C(Br)C=C1 22430333 [0,1,0,0,0,0|1,2,0]=4 45 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 3355149 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 1188626 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 2829226 [0,1,0,0,0,0|0,0,0]=1 48 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 3585975 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.36 O=C(C1=CC=CC=C1)C(O)O 12405446 [0,1,0,0,0,0|0,0,3]=4 50 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 2932604 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 1780492 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 1779303 [0,1,0,0,0,0|0,0,0]=1 53 B11R1.40 CC(CN)CC1=CC=CC=C1 1048249 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.40 COC(=O)CC1=CC=CC=C1 1902120 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 1902056 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.40 NC(CO)CC1=CC=CC=C1 7020694207 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.40 NCC(=O)NC1=CC=CC=C1 7020432301 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.40 NNC(=S)NC1=CC=CC=C1 2125396 [0,1,0,0,0,0|2,1,0]=4 59 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 5011248 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.40 O=C(CCl)NC1=CC=CC=C1 1195629 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.40 O=C(CCl)NC1=NC=CC=C1 1194680 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.40 O=C(CO)NC1=CC=CC=C1 1015594 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.40 O=C(CS)NC1=CC=CC=C1 7414270001 [0,1,0,0,0,0|1,1,0]=3 64 B11R1.86 CC(=O)C[N+]1=C(C)C=CC=C1 7012270716 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 0118671324 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 2829216 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 1779236 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 0104540046 [0,1,0,0,0,0|2,1,0]=4 69 B11R1.86 CC1=CC=CC=C1NC(=N)N 2125462 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.86 NC(=S)NC1=CC=CC=C1F 1001120 [0,1,0,0,0,0|2,1,0]=4 71 B11R1.86 O=C(O)CC1=CC=CC=C1F 7020330565 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.86 O=C(O)CN1C=CC=CC1=O 1333568 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 1056056 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 14049612 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.157 CC(=O)NC1=CC(Cl)=CC=C1 7112901220 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 7017520046 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 974398 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 1014712 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.157 CC(C)CC1=CC=CC(N)=C1 1366801 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 1287089 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 0104540045 [0,1,0,0,0,0|2,1,0]=4 82 B11R1.157 CN(C)CC1=CC(O)=CC=C1 3669154 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.157 NC(=S)NC1=CC=CC(O)=C1 1001124 [0,1,0,0,0,0|2,1,0]=4 84 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 2024108 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.157 O=C(O)CC1=CC(O)=NC=C1 11186508 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.509 CC(C)(O)CC1=CC=CC=C1 1271932 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 2842445 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 7020430779 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.509 O=S(=O)(Cl)NC1=CC=CC=C1 5008871 [0,1,0,0,0,0|2,0,1]=4 90 B11R2.10 CC1=CC2=CC=CC=C2N1 7210741752 [0,0,0,1,0,0|2,0,1]=4 91 B11R2.10 CC1=CC2=CC=CC=C2S1 3504244 [0,0,0,1,0,0|1,1,1]=4 92 B11R2.10 CC1=NC2=C(C=CC=C2)S1 2829019 [0,0,0,1,0,0|2,1,0]=4 93 B11R2.10 CC1CC2=C(C=CC=C2)N1 14991776 [0,0,0,1,0,0|2,0,1]=4 94 B11R2.10 ClC1=NC2=CC=CC=C2N1 1436700 [0,0,0,1,0,0|3,0,0]=4 95 B11R2.10 NC1=NC2=CC=CC=C2N1 7119850621 [0,0,0,1,0,0|3,0,0]=4 96 B11R2.10 O=C1CC2=CC=CC=C2C1 15296930 [0,0,0,1,0,0|1,0,0]=2 97 B11R2.10 O=C1CC2=CC=CC=C2N1 7017680945 [0,0,0,1,0,0|1,0,0]=2 98 B11R2.10 O=C1NC2=CC=CC=C2N1 7214190567 [0,0,0,1,0,0|2,0,0]=3 99 B11R2.10 O=C1NC2=CC=CC=C2O1 2129121 [0,0,0,1,0,0|1,0,0]=2 100 B11R2.10 O=C1NC2=NC=CC=C2O1 1499982 [0,0,0,1,0,0|2,0,0]=3 101 B11R2.10 S=C1NC2=C(C=CC=C2)O1 2829241 [0,0,0,1,0,0|1,1,0]=3 102 B11R2.10 S=C1NC2=CC=CC=C2S1 2139255 [0,0,0,1,0,0|1,2,0]=4 103 B11R2.10 SC1=NC2=CC=CC=C2S1 3585800 [0,0,0,1,0,0|1,2,0]=4 104 B9R1.6 C=C(C)C1=CC=CC=C1 2826092 [0,0,0,0,1,0|2,0,0]=3 105 B9R1.6 CC(=O)C1=CC=CC=C1 1043797 [0,0,0,0,1,0|1,0,0]=2 106 B9R1.6 CC(=O)C1=CC=CN=C1 1778688 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.6 CC(=O)C1=CC=NC=C1 2826148 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.6 CC(=O)C1=NC=CC=C1 2826149 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.6 CC(=O)C1=NC=CN=C1 15386267 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.6 CC(Br)C1=CC=CC=C1 2024133 [0,0,0,0,1,0|2,0,1]=4 111 B9R1.6 CC(C)C1=CC=CC=C1 2826137 [0,0,0,0,1,0|2,0,1]=4 112 B9R1.6 CC(N)C1=CC=CC=C1 1500421 [0,0,0,0,1,0|2,0,1]=4 113 B9R1.6 CC(O)C1=NC=CC=C1 2422301 [0,0,0,0,1,0|2,0,1]=4 114 B9R1.6 CN(C)C1=CC=CC=C1 2826155 [0,0,0,0,1,0|3,0,0]=4 115 B9R1.6 N=C(N)C1=CC=CC=C1 3337437 [0,0,0,0,1,0|2,0,0]=3 116 B9R1.6 NC(=O)C1=CC=CC=C1 7113222106 [0,0,0,0,1,0|1,0,0]=2 117 B9R1.6 NC(=O)C1=NC=CN=C1 1375193 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.6 NC(=S)C1=CC=CC=C1 1001334 [0,0,0,0,1,0|1,1,0]=3 119 B9R1.6 NC(=S)C1=CC=CN=C1 2125389 [0,0,0,0,1,0|2,1,0]=4 120 B9R1.6 NC(=S)C1=CC=NC=C1 7020310245 [0,0,0,0,1,0|2,1,0]=4 121 B9R1.6 NC(=S)C1=NC=CC=C1 7213750105 [0,0,0,0,1,0|2,1,0]=4 122 B9R1.6 O=C(Cl)C1=CC=CN=C1 1051743 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.6 O=C(Cl)C1=CC=NC=C1 4787240 [0,0,0,0,1,0|2,0,0]=3 124 B9R1.6 O=C(O)C1=CC=CC=C1 1778690 [0,0,0,0,1,0|0,0,0]=1 125 B9R1.6 O=C(O)C1=CC=CN=C1 2084332 [0,0,0,0,1,0|1,0,0]=2 126 B9R1.6 O=C(O)C1=CC=NC=C1 22430647 [0,0,0,0,1,0|1,0,0]=2 127 B9R1.6 O=C(O)C1=CC=NC=N1 0125330094 [0,0,0,0,1,0|2,0,0]=3 128 B9R1.6 O=C(O)C1=CN=CC=N1 1051746 [0,0,0,0,1,0|2,0,0]=3 129 B9R1.6 O=C(O)C1=NC=CC=C1 1051744 [0,0,0,0,1,0|1,0,0]=2 130 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 2826202 [0,0,0,0,1,0|1,0,1]=3 131 B9R1.6 OB(O)C1=CC=CC=C1 971211 [0,0,0,0,1,0|1,0,1]=3 132 B9R1.13 C1=NC(CC(=O)O)=CS1 1088061 [0,0,0,0,1,0|2,0,0]=3 133 B9R1.13 NC(=O)CC1=CC=CS1 1375218 [0,0,0,0,1,0|2,0,0]=3 134 B9R1.13 O=C(Cl)CC1=CC=CS1 1051727 [0,0,0,0,1,0|2,0,0]=3 135 B9R1.13 O=C(O)CC1=CC=CO1 1287105 [0,0,0,0,1,0|1,0,0]=2 136 B9R1.13 O=C(O)CC1=CC=CS1 1287112 [0,0,0,0,1,0|1,0,0]=2 137 B9R1.13 O=C(O)CC1=CC=NN1 4060640 [0,0,0,0,1,0|2,0,0]=3 138 B9R1.13 O=C(O)CC1=NNC=C1 4060632 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [0,0,0,0,0,1|2,0,0]=3 140 B11R1.91 CC(=O)CCC1=CC=CC=C1 1043589 [0,0,0,0,0,1|1,0,0]=2 141 B11R1.91 CC(=O)NCC1=CC=CC=N1 3851354 [0,0,0,0,0,1|2,0,0]=3 142 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2129779 [0,0,0,0,0,1|1,0,1]=3 143 B11R1.91 CC(C)NCC1=CC=CC=C1 1366807 [0,0,0,0,0,1|2,0,1]=4 144 B11R1.91 CC(O)\C=C\C1=CC=CC=C1 3355102 [0,0,0,0,0,1|1,0,2]=4 145 B11R1.91 N=C(N)SCC1=CC=CC=C1 4434567 [0,0,0,0,0,1|2,0,0]=3 146 B11R1.91 NC(=O)COC1=CC=CC=C1 1375246 [0,0,0,0,0,1|1,0,0]=2 147 B11R1.91 NC(=O)CSC1=CC=CC=C1 1375325 [0,0,0,0,0,1|1,0,0]=2 148 B11R1.91 NC(=O)NCC1=CC=CC=C1 1779235 [0,0,0,0,0,1|1,0,0]=2 149 B11R1.91 NC(=O)OCC1=CC=CC=C1 2829213 [0,0,0,0,0,1|1,0,0]=2 150 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 5009290 [0,0,0,0,0,1|1,0,1]=3 151 B11R1.91 NC(=S)COC1=CC=CC=C1 7020331590 [0,0,0,0,0,1|1,1,0]=3 152 B11R1.91 NC(=S)NNC1=CC=CC=C1 2842441 [0,0,0,0,0,1|2,1,0]=4 153 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 1051731 [0,0,0,0,0,1|1,0,0]=2 154 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 4787343 [0,0,0,0,0,1|1,0,1]=3 155 B11R1.91 O=C(O)CCC1=CC=CC=C1 7020400414 [0,0,0,0,0,1|0,0,0]=1 156 B11R1.91 O=C(O)CCC1=CC=CC=N1 1499995 [0,0,0,0,0,1|1,0,0]=2 157 B11R1.91 O=C(O)CCC1=CN=CN=C1 4056519 [0,0,0,0,0,1|2,0,0]=3 158 B11R1.91 O=C(O)CNC1=CC=CC=C1 1142601 [0,0,0,0,0,1|0,0,0]=1 159 B11R1.91 O=C(O)CNC1=CC=CN=C1 3355230 [0,0,0,0,0,1|1,0,0]=2 160 B11R1.91 O=C(O)CNC1=NC=CC=N1 2140105 [0,0,0,0,0,1|2,0,0]=3 161 B11R1.91 O=C(O)COC1=CC=CC=C1 7113231893 [0,0,0,0,0,1|0,0,0]=1 162 B11R1.91 O=C(O)CSC1=CC=CC=C1 7110950354 [0,0,0,0,0,1|0,0,0]=1 163 B11R1.91 O=C(O)CSC1=CC=CC=N1 1500183 [0,0,0,0,0,1|1,0,0]=2 164 B11R1.91 O=C(O)CSC1=NC=NC=C1 2289397 [0,0,0,0,0,1|2,0,0]=3 165 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [0,0,0,0,0,1|0,0,1]=2 166 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 1314146 [0,0,0,0,0,1|1,0,1]=3 167 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 2254538 [0,0,0,0,0,1|2,0,1]=4 168 B11R1.91 S=C(S)NNC1=CC=CC=C1 22430428 [0,0,0,0,0,1|1,2,0]=4 169 B8R1.2 BrCC1=CC=CC=C1 2844339 [2,0,0,0,0,0|1,0,0]=3 170 B8R1.2 C=CC1=CC=NC=C1 2825664 [2,0,0,0,0,0|1,0,1]=4 171 B8R1.2 CCC1=CC=CC=C1 2825676 [2,0,0,0,0,0|0,0,1]=3 172 B8R1.2 CNC1=CC=CC=C1 1366528 [2,0,0,0,0,0|1,0,1]=4 173 B8R1.2 COC1=CC=CC=C1 2825706 [2,0,0,0,0,0|1,0,1]=4 174 B8R1.2 CSC1=CC=CC=C1 2826254 [2,0,0,0,0,0|1,0,1]=4 175 B8R1.2 ClCC1=CC=CC=C1 1778716 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.2 N#CC1=CC=CC=C1 1778585 [2,0,0,0,0,0|1,0,1]=4 177 B8R1.2 NCC1=CC=CC=C1 1038608 [2,0,0,0,0,0|1,0,0]=3 178 B8R1.2 NCC1=CC=CC=C1 6057147 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 NCC1=CC=CN=C1 1038606 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 NCC1=CC=NC=C1 1038607 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 NNC1=CC=CC=C1 1156632 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 NNC1=CC=CC=C1 6057168 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 O=CC1=CC=CC=C1 988591 [2,0,0,0,0,0|0,0,0]=2 184 B8R1.2 O=CC1=CC=CN=C1 2084334 [2,0,0,0,0,0|1,0,0]=3 185 B8R1.2 O=CC1=CC=NC=C1 988524 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.2 O=CC1=NC=CC=C1 2084333 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.2 OCC1=CC=CC=C1 1778593 [2,0,0,0,0,0|0,0,0]=2 188 B8R1.2 SCC1=CC=CC=C1 1972971 [2,0,0,0,0,0|0,1,0]=3 189 B10R1.1 CC1=CC=C(CC#N)C=C1 1287072 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.1 CC1=CC=C(CCCl)C=C1 1277178 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.1 CC1=CC=C(CCN)C=C1 1038622 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.1 N#CCC1=CC=C(Br)C=C1 1287071 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.1 N#CCC1=CC=C(Cl)C=C1 1519435 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.1 N#CCC1=CC=C(F)C=C1 1519437 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.1 NCCC1=CC=C(F)C=C1 1038624 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 1051737 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.1 OCCC1=CC=C(Br)C=C1 1204413 [1,1,0,0,0,0|0,0,1]=3 200 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 1288010 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.4 C=CCC1=C(O)C=CC=C1 2827010 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.4 CC1=C(N=C=O)C=CC=C1 1055563 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.4 CC1=CC=CC=C1CC#N 1287073 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.4 N#CCC1=C(F)C=CC=C1 1519443 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.4 NCCC1=CC=CC=C1F 6051017 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.10 CC1=CC=CC(CC#N)=C1 1287074 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [1,1,0,0,0,0|1,0,1]=4 209 B10R1.10 CC1=CC=CC(N=C=O)=C1 1055564 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.10 N#CCC1=CC=CC(Cl)=C1 1519438 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 1051738 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.10 O=CNC1=CC(Cl)=CC=C1 12154920 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.15 CC(C#N)C1=CC=CC=C1 1204062 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.15 CC(NO)C1=CC=CC=C1 1204024 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.15 CN(C=O)C1=CC=CC=C1 2818161 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.15 C\C(=N/O)C1=CC=CC=C1 2827049 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.15 N\C(=N\O)C1=CC=CC=C1 4434547 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.15 O=CC(=O)C1=CC=CC=C1 2826987 [1,1,0,0,0,0|0,0,1]=3 226 B10R1.15 OC(CCl)C1=CC=CC=C1 1500436 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.17 CCCCC1=CC=CC=C1 2827024 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.17 CCNCC1=CC=CC=C1 1366645 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.17 ClC\C=C\C1=CC=CC=C1 5970146 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.17 N#CCOC1=CC=CC=C1 7020402308 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.17 N=C=[SH]CC1=CC=CC=C1 22430371 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.17 NCCSC1=CC=CC=C1 6137840 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.17 NNCCC1=CC=CC=C1 9080668 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [1,1,0,0,0,0|0,0,1]=3 239 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.17 O=C\C=C\C1=CC=CC=C1 1778825 [1,1,0,0,0,0|0,0,1]=3 241 B10R1.17 OCCNC1=CC=CC=C1 1866520 [1,1,0,0,0,0|0,0,1]=3 242 B10R1.17 OCCOC1=CC=CC=C1 1275759 [1,1,0,0,0,0|0,0,1]=3 243 B10R1.17 SCCOC1=CC=CC=C1 1310591 [1,1,0,0,0,0|0,1,1]=4 244 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 2818083 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 1043807 [0,1,0,0,1,0|1,0,0]=3 246 B10R1.13 CC(=O)C1=CC=C(C)C=C1 1043798 [0,1,0,0,1,0|1,0,0]=3 247 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 1043806 [0,1,0,0,1,0|1,0,0]=3 248 B10R1.13 CC(=O)C1=CC=C(F)C=C1 1043805 [0,1,0,0,1,0|1,0,0]=3 249 B10R1.13 CC(=O)C1=CC=C(N)C=C1 7119850616 [0,1,0,0,1,0|1,0,0]=3 250 B10R1.13 CC(=O)C1=CC=C(O)C=C1 1778865 [0,1,0,0,1,0|1,0,0]=3 251 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 1051709 [0,1,0,0,1,0|1,0,0]=3 252 B10R1.13 CC1=CC=C(C(=O)O)C=C1 7119561590 [0,1,0,0,1,0|0,0,0]=2 253 B10R1.13 CC1=CC=C(C(C)O)C=C1 1366658 [0,1,0,0,1,0|1,0,1]=4 254 B10R1.13 CC1=CC=C(C(N)=O)C=C1 1106851 [0,1,0,0,1,0|1,0,0]=3 255 B10R1.13 CC1=CC=C(C(N)=S)C=C1 7020331312 [0,1,0,0,1,0|1,1,0]=4 256 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 2839025 [0,1,0,0,1,0|1,0,1]=4 257 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 2827170 [0,1,0,0,1,0|1,0,1]=4 258 B10R1.13 CC1=CC=C([SH](=O)=O)C=C1 22430375 [0,1,0,0,1,0|1,0,1]=4 259 B10R1.13 CC1=NC=C(C(=O)O)C=C1 19767694 [0,1,0,0,1,0|1,0,0]=3 260 B10R1.13 CC1=NC=C(C(=O)O)N=C1 2827230 [0,1,0,0,1,0|2,0,0]=4 261 B10R1.13 CC1=NC=C(C(N)=O)C=C1 2827093 [0,1,0,0,1,0|2,0,0]=4 262 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 22588257 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 6057545 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.13 N=C(N)C1=CC=C(F)C=C1 22588245 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.13 N=C(N)C1=CC=C(N)C=C1 6300646 [0,1,0,0,1,0|2,0,0]=4 266 B10R1.13 N=C(N)C1=CC=C(O)C=C1 2827095 [0,1,0,0,1,0|2,0,0]=4 267 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 1375914 [0,1,0,0,1,0|1,0,0]=3 268 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 1375258 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.13 NC(=O)C1=CC=C(F)C=C1 1375215 [0,1,0,0,1,0|1,0,0]=3 270 B10R1.13 NC(=O)C1=CC=C(I)C=C1 1445657 [0,1,0,0,1,0|1,0,0]=3 271 B10R1.13 NC(=O)C1=CC=C(N)C=C1 1375210 [0,1,0,0,1,0|1,0,0]=3 272 B10R1.13 NC(=O)C1=CC=C(O)C=C1 1375211 [0,1,0,0,1,0|1,0,0]=3 273 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 1792547 [0,1,0,0,1,0|1,1,0]=4 274 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 7020331320 [0,1,0,0,1,0|1,1,0]=4 275 B10R1.13 NC(=S)C1=CC=C(F)C=C1 7020331313 [0,1,0,0,1,0|1,1,0]=4 276 B10R1.13 NC1=CC=C(B(O)O)C=C1 19767697 [0,1,0,0,1,0|1,0,1]=4 277 B10R1.13 NC1=CC=C(C(=O)O)C=C1 1509951 [0,1,0,0,1,0|0,0,0]=2 278 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2827229 [0,1,0,0,1,0|1,0,1]=4 279 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 1051742 [0,1,0,0,1,0|1,0,0]=3 280 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 1051712 [0,1,0,0,1,0|1,0,0]=3 281 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 1312865 [0,1,0,0,1,0|0,0,0]=2 282 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 1312854 [0,1,0,0,1,0|0,0,0]=2 283 B10R1.13 O=C(O)C1=CC=C(F)C=C1 1506397 [0,1,0,0,1,0|0,0,0]=2 284 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3054307 [0,1,0,0,1,0|0,0,0]=2 285 B10R1.13 O=C(O)C1=CC=C(O)C=C1 1195424 [0,1,0,0,1,0|0,0,0]=2 286 B10R1.13 O=C(O)C1=CC=C(S)C=C1 2829768 [0,1,0,0,1,0|0,0,0]=2 287 B10R1.13 O=C(O)C1=CC=N(=O)C=C1 12405061 [0,1,0,0,1,0|1,0,0]=3 288 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2830995 [0,1,0,0,1,0|1,0,0]=3 289 B10R1.13 O=C(O)C1=CN=C(O)C=C1 5970174 [0,1,0,0,1,0|1,0,0]=3 290 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 4015292 [0,1,0,0,1,0|2,0,0]=4 291 B10R1.13 O=C(O)C1=NC=C(O)C=C1 3354843 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.13 O=C(O)C1=NC=C(O)N=C1 5010111 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 3458596 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.13 O=C1C=CC(C(=O)O)=CN1 1313836 [0,1,0,0,1,0|1,0,0]=3 295 B10R1.13 O=C1C=CC(C(=O)O)=NN1 7020410148 [0,1,0,0,1,0|2,0,0]=4 296 B10R1.13 O=S(Cl)C1=CC=C(Cl)C=C1 3519061 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 2830996 [0,1,0,0,1,0|1,0,1]=4 298 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2827558 [0,1,0,0,1,0|1,0,1]=4 299 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 2827327 [0,1,0,0,1,0|1,0,1]=4 300 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 1179227 [0,1,0,0,1,0|1,0,1]=4 301 B10R1.13 OB(O)C1=CC=C(F)C=C1 1179206 [0,1,0,0,1,0|1,0,1]=4 302 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 1051762 [0,1,0,0,1,0|1,0,1]=4 303 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 4194516 [0,1,0,0,1,0|1,0,0]=3 304 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 1287341 [0,1,0,0,1,0|1,0,0]=3 305 B10R1.61 CC(=O)C1=C(F)C=NC=C1 6902362 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.61 CC(=O)C1=C(O)C=CC=C1 1778867 [0,1,0,0,1,0|1,0,0]=3 307 B10R1.61 CC(=O)C1=CC=CC=C1N 2827048 [0,1,0,0,1,0|1,0,0]=3 308 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 1051707 [0,1,0,0,1,0|1,0,0]=3 309 B10R1.61 CC1=C(C(=O)O)N=CC=C1 2818254 [0,1,0,0,1,0|1,0,0]=3 310 B10R1.61 CC1=C(C(N)=O)C=CC=C1 1375207 [0,1,0,0,1,0|1,0,0]=3 311 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 2827169 [0,1,0,0,1,0|1,0,1]=4 312 B10R1.61 CC1=CC=CC=C1C(=O)O 1901857 [0,1,0,0,1,0|0,0,0]=2 313 B10R1.61 CC1=CC=CC=C1C(N)=S 1288011 [0,1,0,0,1,0|1,1,0]=4 314 B10R1.61 CC1=NN=CC=C1C(=O)O 4059593 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.61 N=C(N)C1=C(F)C=CC=C1 3515450 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.61 NC(=O)C1=CC=CC=C1N 0125330235 [0,1,0,0,1,0|1,0,0]=3 317 B10R1.61 NC(=O)C1=CC=CC=C1O 2131902 [0,1,0,0,1,0|1,0,0]=3 318 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 7020331321 [0,1,0,0,1,0|1,1,0]=4 319 B10R1.61 NC(=S)C1=C(F)C=CC=C1 7020331314 [0,1,0,0,1,0|1,1,0]=4 320 B10R1.61 NC1=C(C(=O)O)C=CC=C1 3585810 [0,1,0,0,1,0|0,0,0]=2 321 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] 2128520 [0,1,0,0,1,0|1,0,1]=4 322 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl 1051740 [0,1,0,0,1,0|1,0,0]=3 323 B10R1.61 O=C(Cl)C1=CC=CC=C1F 1051710 [0,1,0,0,1,0|1,0,0]=3 324 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 3686191 [0,1,0,0,1,0|1,0,0]=3 325 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 1902292 [0,1,0,0,1,0|0,0,0]=2 326 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2830994 [0,1,0,0,1,0|1,0,0]=3 327 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3054308 [0,1,0,0,1,0|0,0,0]=2 328 B10R1.61 O=C(O)C1=C(S)C=CC=C1 2829766 [0,1,0,0,1,0|0,0,0]=2 329 B10R1.61 O=C(O)C1=CC=CC=C1Br 7119571920 [0,1,0,0,1,0|0,0,0]=2 330 B10R1.61 O=C(O)C1=CC=CC=C1F 1901890 [0,1,0,0,1,0|0,0,0]=2 331 B10R1.61 O=C(O)C1=CC=CC=C1O 2129564 [0,1,0,0,1,0|0,0,0]=2 332 B10R1.61 O=C(O)C1=CC=CNC1=O 4059409 [0,1,0,0,1,0|1,0,0]=3 333 B10R1.61 O=C(O)C1=NC=NC=C1Br 1157350 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 2830993 [0,1,0,0,1,0|1,0,1]=4 335 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2827556 [0,1,0,0,1,0|1,0,1]=4 336 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 7211720040 [0,1,0,0,1,0|1,0,1]=4 337 B10R1.61 O=[N+]([O-])C1=CC=CC=C1Br 1362061 [0,1,0,0,1,0|1,0,1]=4 338 B10R1.61 OB(O)C1=C(F)C=CC=C1 1586067 [0,1,0,0,1,0|1,0,1]=4 339 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 1287349 [0,1,0,0,1,0|1,0,0]=3 340 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 1287348 [0,1,0,0,1,0|1,0,0]=3 341 B10R1.113 CC(=O)C1=CC(N)=CC=C1 1366640 [0,1,0,0,1,0|1,0,0]=3 342 B10R1.113 CC(=O)C1=CC=CC(O)=C1 1901859 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.113 CC1=CC(C(=O)O)=CN=C1 2818253 [0,1,0,0,1,0|1,0,0]=3 344 B10R1.113 CC1=CC([N+](=O)[O-])=CC=C1 2827171 [0,1,0,0,1,0|1,0,1]=4 345 B10R1.113 CC1=CC=CC(C(=N)N)=C1 5012379 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 1051708 [0,1,0,0,1,0|1,0,0]=3 347 B10R1.113 CC1=CC=CC(C(=O)O)=C1 1901858 [0,1,0,0,1,0|0,0,0]=2 348 B10R1.113 CC1=CC=CC(C(=O)O)=N1 2214917 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.113 CC1=CC=CC(C(N)=O)=C1 1375208 [0,1,0,0,1,0|1,0,0]=3 350 B10R1.113 CC1=NC=CC(C(=O)O)=C1 3666565 [0,1,0,0,1,0|1,0,0]=3 351 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 1375257 [0,1,0,0,1,0|1,0,0]=3 352 B10R1.113 NC(=O)C1=CC=C[N+]([O-])=C1 3463886 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 7217960159 [0,1,0,0,1,0|1,0,1]=4 354 B10R1.113 NC1=CC=CC(C(=O)O)=C1 2827166 [0,1,0,0,1,0|0,0,0]=2 355 B10R1.113 NC1=CN=CC(C(=O)O)=C1 7017520056 [0,1,0,0,1,0|1,0,0]=3 356 B10R1.113 NC1=NC(C(=O)O)=CC=C1 1218791 [0,1,0,0,1,0|1,0,0]=3 357 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2214529 [0,1,0,0,1,0|1,0,0]=3 358 B10R1.113 O=C(Cl)C1=CC=CC(Br)=C1 1051714 [0,1,0,0,1,0|1,0,0]=3 359 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 1051741 [0,1,0,0,1,0|1,0,0]=3 360 B10R1.113 O=C(Cl)C1=CC=CC(F)=C1 1051711 [0,1,0,0,1,0|1,0,0]=3 361 B10R1.113 O=C(O)C1=CC(=S)NC=C1 13577371 [0,1,0,0,1,0|1,0,0]=3 362 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 973807 [0,1,0,0,1,0|0,0,0]=2 363 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2214915 [0,1,0,0,1,0|1,0,0]=3 364 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 3508030 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.113 O=C(O)C1=CC(F)=CC=C1 1901891 [0,1,0,0,1,0|0,0,0]=2 366 B10R1.113 O=C(O)C1=CC(O)=NC=C1 2223344 [0,1,0,0,1,0|1,0,0]=3 367 B10R1.113 O=C(O)C1=CC(S)=NC=C1 2223361 [0,1,0,0,1,0|1,0,0]=3 368 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 1906408 [0,1,0,0,1,0|0,0,0]=2 369 B10R1.113 O=C(O)C1=CC=CC(O)=C1 2827221 [0,1,0,0,1,0|0,0,0]=2 370 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 0109160011 [0,1,0,0,1,0|1,0,0]=3 371 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 5110090024 [0,1,0,0,1,0|1,0,0]=3 372 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 7017520050 [0,1,0,0,1,0|1,0,0]=3 373 B10R1.113 O=C(O)C1=NC=CC(O)=C1 7017520047 [0,1,0,0,1,0|1,0,0]=3 374 B10R1.113 O=C1C=C(C(=O)O)N=CN1 3508017 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 1362062 [0,1,0,0,1,0|1,0,1]=4 376 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 2827328 [0,1,0,0,1,0|1,0,1]=4 377 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 1179274 [0,1,0,0,1,0|1,0,1]=4 378 B10R1.113 OB(O)C1=CC=CC(F)=C1 1586087 [0,1,0,0,1,0|1,0,1]=4 379 B10R1.27 COC(=O)CC1=CC=CS1 1973364 [0,1,0,0,1,0|1,0,0]=3 380 B10R1.27 COC(=O)CC1=NNC=C1 6051772 [0,1,0,0,1,0|2,0,0]=4 381 B10R1.54 CC1=CC=C(CC(=O)O)O1 2251842 [0,1,0,0,1,0|1,0,0]=3 382 B10R1.54 CC1=NC(CC(=O)O)=CO1 1973108 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.54 CC1=NC(CC(=O)O)=CS1 1088062 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.54 NC1=NC(CC(=O)O)=CS1 1333489 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.54 O=C(O)CC1=CC=C(Br)S1 19767649 [0,1,0,0,1,0|1,0,0]=3 386 B10R1.64 CC1=NC=CN1CC(=O)O 2238020 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.64 N=C1SC=CN1CC(=O)O 7012260056 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.64 O=C(O)CN1C=CN=C1Cl 6374487 [0,1,0,0,1,0|2,0,0]=4 389 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 1043599 [0,1,0,0,0,1|1,0,0]=3 390 B12R1.21 CC(=O)COC1=CC=C(Br)C=C1 2125323 [0,1,0,0,0,1|1,0,0]=3 391 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 2125330 [0,1,0,0,0,1|1,0,0]=3 392 B12R1.21 CC1=CC=C(CCC(=O)Cl)C=C1 1375493 [0,1,0,0,0,1|1,0,0]=3 393 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 7018760318 [0,1,0,0,0,1|0,0,0]=2 394 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 1375537 [0,1,0,0,0,1|1,0,0]=3 395 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 0123400643 [0,1,0,0,0,1|0,0,0]=2 396 B12R1.21 CC1=CC=C(OCC(N)=S)C=C1 7020331556 [0,1,0,0,0,1|1,1,0]=4 397 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 7013891387 [0,1,0,0,0,1|0,0,1]=3 398 B12R1.21 CC1=CC=[N+](CCC(=O)O)C=C1 1264870 [0,1,0,0,0,1|1,0,0]=3 399 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 2125332 [0,1,0,0,0,1|2,0,0]=4 400 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 11186103 [0,1,0,0,0,1|2,0,0]=4 401 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 1375972 [0,1,0,0,0,1|1,0,0]=3 402 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 2426235 [0,1,0,0,0,1|1,0,1]=4 403 B12R1.21 NC(=S)COC1=CC=C(Cl)C=C1 7020331589 [0,1,0,0,0,1|1,1,0]=4 404 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 1509953 [0,1,0,0,0,1|0,0,0]=2 405 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 6923424 [0,1,0,0,0,1|1,0,0]=3 406 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 1051733 [0,1,0,0,0,1|1,0,0]=3 407 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 1375533 [0,1,0,0,0,1|1,0,1]=4 408 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 1373702 [0,1,0,0,0,1|0,0,1]=3 409 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 1368115 [0,1,0,0,0,1|0,0,1]=3 410 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 1367191 [0,1,0,0,0,1|0,0,1]=3 411 B12R1.21 O=C(O)C#CC1=CC=C(O)C=C1 7849251 [0,1,0,0,0,1|0,0,1]=3 412 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 7018930011 [0,1,0,0,0,1|0,0,0]=2 413 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 7020400396 [0,1,0,0,0,1|0,0,0]=2 414 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 0110520182 [0,1,0,0,0,1|0,0,0]=2 415 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 7020350504 [0,1,0,0,0,1|0,0,0]=2 416 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 7119850499 [0,1,0,0,0,1|0,0,0]=2 417 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 7020661302 [0,1,0,0,0,1|0,0,0]=2 418 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 7016233986 [0,1,0,0,0,1|0,0,0]=2 419 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 1512693 [0,1,0,0,0,1|0,0,1]=3 420 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 0125160273 [0,1,0,0,0,1|0,0,1]=3 421 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 0103940052 [0,1,0,0,0,1|0,0,1]=3 422 B12R1.27 COC(=O)CCC1=CN=CN=C1 7138613 [0,1,0,0,0,1|2,0,0]=4 423 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 11186114 [0,1,0,0,0,1|0,0,1]=3 424 B12R1.27 NCC(=O)NCC1=NC=CC=C1 11182084 [0,1,0,0,0,1|2,0,0]=4 425 B12R1.27 NNC(=O)COC1=CC=CC=C1 0103480076 [0,1,0,0,0,1|1,0,0]=3 426 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 4764459 [0,1,0,0,0,1|1,0,0]=3 427 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 3585822 [0,1,0,0,0,1|1,0,0]=3 428 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 0104820635 [0,1,0,0,0,1|1,0,0]=3 429 B12R1.27 O=C(CO)NCC1=CC=CC=C1 1015681 [0,1,0,0,0,1|0,0,0]=2 430 B12R1.27 [NH3+]CC(=O)OCC1=CC=CC=C1 15298737 [0,1,0,0,0,1|1,0,0]=3 431 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 11185334 [0,1,0,0,0,1|1,0,0]=3 432 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 1048435 [0,1,0,0,0,1|0,0,0]=2 433 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 7119571874 [0,1,0,0,0,1|0,0,0]=2 434 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 1048342 [0,1,0,0,0,1|0,0,1]=3 435 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 6849730 [0,1,0,0,0,1|1,0,0]=3 436 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 1780058 [0,1,0,0,0,1|0,0,0]=2 437 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 1129961 [0,1,0,0,0,1|1,0,1]=4 438 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 1902541 [0,1,0,0,0,1|1,0,0]=3 439 B12R1.107 CC(=O)\C=C(/[OH2+])C1=CC=CC=C1 7015160012 [0,1,0,0,0,1|1,0,1]=4 440 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 1042017 [0,1,0,0,0,1|0,0,0]=2 441 B12R1.107 CC(NC(N)=O)C1=CC=CC=C1 1779974 [0,1,0,0,0,1|1,0,0]=3 442 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 1041772 [0,1,0,0,0,1|0,0,1]=3 443 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 5110070076 [0,1,0,0,0,1|0,0,0]=2 444 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 11639257 [0,1,0,0,0,1|1,0,1]=4 445 B12R1.125 CC(=O)COC1=C(Br)C=CC=C1 1655092 [0,1,0,0,0,1|1,0,0]=3 446 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 1512405 [0,1,0,0,0,1|0,0,0]=2 447 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 0125160286 [0,1,0,0,0,1|0,0,0]=2 448 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 7113225356 [0,1,0,0,0,1|1,0,0]=3 449 B12R1.125 CC1=C(OCC(N)=S)C=CC=C1 7020331591 [0,1,0,0,0,1|1,1,0]=4 450 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 1512399 [0,1,0,0,0,1|0,0,1]=3 451 B12R1.125 CC1=C(\C=C\C(N)=O)C=CC=C1 2832368 [0,1,0,0,0,1|1,0,1]=4 452 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7020380021 [0,1,0,0,0,1|0,0,0]=2 453 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 1376061 [0,1,0,0,0,1|1,0,0]=3 454 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 1512707 [0,1,0,0,0,1|0,0,0]=2 455 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 7020400402 [0,1,0,0,0,1|0,0,0]=2 456 B12R1.125 O=C(O)CCC1=CC=CC=C1F 7020400397 [0,1,0,0,0,1|0,0,0]=2 457 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 0107930010 [0,1,0,0,0,1|0,0,0]=2 458 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 0125160239 [0,1,0,0,0,1|0,0,1]=3 459 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 7020400348 [0,1,0,0,0,1|0,0,1]=3 460 B12R1.226 CC(=O)CCC1=CC(Cl)=CC=C1 1974704 [0,1,0,0,0,1|1,0,0]=3 461 B12R1.226 CC(=O)COC1=CC=CC(Br)=C1 1655091 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.226 CC1=CC(SCC(=O)O)=NC=N1 7019050014 [0,1,0,0,0,1|2,0,0]=4 463 B12R1.226 CC1=CC=NC(SCC(=O)O)=N1 0114090065 [0,1,0,0,0,1|2,0,0]=4 464 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 0125160265 [0,1,0,0,0,1|0,0,1]=3 465 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 2084084 [0,1,0,0,0,1|0,0,0]=2 466 B12R1.226 O=C(O)C#CC1=CC(Br)=CC=C1 5830824 [0,1,0,0,0,1|0,0,1]=3 467 B12R1.226 O=C(O)C#CC1=CC(Cl)=CC=C1 5814022 [0,1,0,0,0,1|0,0,1]=3 468 B12R1.226 O=C(O)C#CC1=CC(O)=CC=C1 7849238 [0,1,0,0,0,1|0,0,1]=3 469 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 7020400394 [0,1,0,0,0,1|0,0,0]=2 470 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 1310637 [0,1,0,0,0,1|0,0,0]=2 471 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 7020400392 [0,1,0,0,0,1|0,0,0]=2 472 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 7210540021 [0,1,0,0,0,1|0,0,0]=2 473 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 7017655176 [0,1,0,0,0,1|0,0,1]=3 474 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 1512411 [0,1,0,0,0,1|0,0,1]=3 475 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 7020431083 [0,1,0,0,0,1|1,0,1]=4 476 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 2831950 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.4 CNC1=CC=C(CC(=O)O)C=C1 1864385 [0,2,0,0,0,0|0,0,0]=2 478 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 6871423 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.4 COC1=CC=C(CC(=O)Cl)C=C1 1375536 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 7119860207 [0,2,0,0,0,0|0,0,0]=2 481 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 1375313 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 1782040 [0,2,0,0,0,0|1,1,0]=4 483 B12R1.19 CC(=O)NC1=CC(C)=C(C)C=C1 7112901141 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.19 CC(=O)NC1=CC(N)=C(C)C=C1 1171737 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 2050938 [0,2,0,0,0,0|0,0,0]=2 486 B12R1.19 CC1=CC(CC(=O)O)=CC=C1F 1312887 [0,2,0,0,0,0|0,0,0]=2 487 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C 7020410111 [0,2,0,0,0,0|0,0,0]=2 488 B12R1.19 NC1=C(O)C=CC(CC(=O)O)=C1 3673138 [0,2,0,0,0,0|0,0,0]=2 489 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 12482597 [0,2,0,0,0,0|0,0,0]=2 490 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 1981792 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 1974702 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.20 CC(=O)C(=O)C1=CC=C(F)C=C1 1973666 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 970183 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 1201974 [0,2,0,0,0,0|0,0,0]=2 495 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 1499794 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 1201967 [0,2,0,0,0,0|0,0,0]=2 497 B12R1.20 O=C(O)C(Cl)C1=CC=C(Cl)C=C1 1787757 [0,2,0,0,0,0|0,0,0]=2 498 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 0133160093 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.49 CC1=CC=C(NC(=O)CO)C=C1 1015597 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 7414270004 [0,2,0,0,0,0|1,1,0]=4 501 B12R1.49 CC1=CC=C(OC(=O)CN)C=C1 1902649 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 0104820394 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 2318624 [0,2,0,0,0,0|0,0,0]=2 504 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 1195628 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 0133160100 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 0115030421 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 4802721 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.49 O=C(CO)NC1=CC=C(F)C=C1 1015636 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.49 O=C(CS)NC1=CC=C(Br)C=C1 7414270017 [0,2,0,0,0,0|1,1,0]=4 510 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 7414270021 [0,2,0,0,0,0|1,1,0]=4 511 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 7020431073 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.106 NC1=CC=C(CS(N)(=O)=O)C=C1 2226512 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Cl)C=C1 7020431078 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 7020431075 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 3120760 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 1199267 [0,2,0,0,0,0|0,0,0]=2 517 B12R1.233 NC1=NC=C(CC(=O)O)C(=O)N1 3673804 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 7020290661 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 1782314 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 3644543 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 2285152 [0,2,0,0,0,0|0,0,0]=2 522 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 7118560689 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 1302947 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.478 CNC(C(=O)O)C1=CN=CC=C1 2278182 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.32 CCOC(=O)CC1=CC=CC=C1 1902606 [0,2,0,0,0,0|0,0,0]=2 526 B12R1.32 COCC(=O)NC1=CC=CC=C1 5441566 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 1179087 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 1194691 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.32 O=C(CCS)NC1=CC=CC=C1 1864080 [0,2,0,0,0,0|1,1,0]=4 530 B12R1.50 CC1=CC(NC(=O)CCl)=CC=C1 1195627 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.50 CC1=CC(OC(=O)CN)=CC=C1 1902648 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 7020691551 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.50 CC1=CC=CC(NC(=O)CO)=C1 1015596 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.50 CC1=CC=CC(NC(=O)CS)=C1 7414270003 [0,2,0,0,0,0|1,1,0]=4 535 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 0104820393 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.50 N\C(CC1=CC(Br)=CC=C1)=N/O 7006516 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.50 O=C(CCl)NC1=CC(Cl)=CC=C1 1895474 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.50 O=C(CCl)NC1=CC=CC(Br)=C1 7020410099 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.50 O=C(CO)NC1=CC(Cl)=CC=C1 1015638 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 1195626 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.371 CC1=CC=CC=C1OC(=O)CN 1902647 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 1902607 [0,2,0,0,0,0|0,0,0]=2 543 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 1902759 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.371 O=C(CCl)NC1=C(Cl)C=CC=C1 1195624 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 1102825 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br 1195637 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.371 O=C(CCl)NC1=CC=CC=C1O 1894453 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 1780154 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.75 CSC1=CC=CC=C1CC(=O)O 1287090 [0,2,0,0,0,0|0,0,0]=2 550 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 1506354 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.127 O=C(O)CN1N=C(Cl)C=CC1=O 7138687 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.127 O=C(O)CN1NC(=O)C=CC1=O 7020410022 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.151 CC1=CC=CC=C1CS(=O)(=O)Cl 7020431071 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.151 O=S(=O)(Cl)CC1=CC=CC=C1Cl 7020431076 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 7112901144 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.224 CC1=CC=CN(CC(=O)O)C1=O 1312330 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.224 CC1=CC=CN(CC(=O)[O-])C1=O 1705425 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 7119720076 [0,2,0,0,0,0|0,0,0]=2 559 B12R1.119 CC1=CC(CS(=O)(=O)Cl)=CC=C1 7020431072 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.119 O=S(=O)(Cl)CC1=CC(F)=CC=C1 2236946 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 22588261 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 7020330567 [0,2,0,0,0,0|0,0,0]=2 563 B10R1.66 O=C(O)CCC1=CC=CN1 4668011 [0,0,1,1,0,0|1,0,1]=4 564 B10R1.66 O=C(O)CCC1=CC=CO1 7118560814 [0,0,1,1,0,0|1,0,1]=4 565 B10R1.66 O=C(O)CCC1=CC=CS1 7020400395 [0,0,1,1,0,0|1,0,1]=4 566 B10R1.66 O=C(O)CCN1C=CC=C1 2265191 [0,0,1,1,0,0|1,0,1]=4 567 B10R1.66 O=C(O)\C=C\C1=CC=CN1 3666577 [0,0,1,1,0,0|1,0,1]=4 568 B10R1.66 O=C(O)\C=C\C1=CC=CS1 7214931917 [0,0,1,1,0,0|1,0,1]=4 569 B10R1.66 O=C(O)\C=C\C1=CSC=C1 5899674 [0,0,1,1,0,0|1,0,1]=4 570 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [1,0,0,1,0,0|1,0,1]=4 571 B10R2.6 C1=CC=C(C2CO2)C=C1 1205184 [1,0,0,1,0,0|0,0,1]=3 572 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [1,0,0,1,0,0|1,0,1]=4 573 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [1,0,0,1,0,0|0,0,1]=3 574 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [1,0,0,1,0,0|1,0,1]=4 575 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [1,0,0,1,0,0|2,0,0]=4 576 B10R2.7 C1=CC=C2NC=CC2=C1 2826038 [1,0,0,1,0,0|1,0,1]=4 577 B10R2.7 C1=CC=C2NC=NC2=C1 1234652 [1,0,0,1,0,0|2,0,0]=4 578 B10R2.7 C1=CC=C2OCOC2=C1 2826166 [1,0,0,1,0,0|1,0,1]=4 579 B12R2.24 CC1CNC2=CC=CC=C2O1 1217660 [0,0,0,1,0,1|1,0,1]=4 580 B12R2.24 CC1CNC2=CC=CC=C2O1 2204844 [0,0,0,1,0,1|1,0,1]=4 581 B12R2.24 NC1=NC2=CC=CC=C2CS1 5009562 [0,0,0,1,0,1|2,0,0]=4 582 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [0,0,0,1,0,1|0,0,1]=3 583 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [0,0,0,1,0,1|1,0,1]=4 584 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 2819843 [0,0,0,1,0,1|0,0,0]=2 585 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [0,0,0,1,0,1|1,0,0]=3 586 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [0,0,0,1,0,1|1,0,0]=3 587 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [0,0,0,1,0,1|1,0,0]=3 588 B12R2.24 O=C1COC2=CC=CN=C2N1 1121255 [0,0,0,1,0,1|2,0,0]=4 589 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [0,0,0,1,0,1|1,0,0]=3 590 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [0,0,0,1,0,1|1,0,1]=4 591 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 2829085 [0,0,0,1,0,1|1,0,1]=4 592 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 2085864 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.606 CC1=NC2=CC=C(O)C=C2O1 2085775 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 7020694178 [0,1,0,1,0,0|1,0,0]=3 595 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 2204842 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 1047637 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 1047623 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 1371374 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 1392635 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.606 O=C1NC2=CC=C(Br)C=C2O1 1499987 [0,1,0,1,0,0|1,0,0]=3 601 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 1499983 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 0124140098 [0,1,0,1,0,0|1,0,0]=3 603 B12R2.606 S=C1NC2=CC(Cl)=CC=C2O1 3644667 [0,1,0,1,0,0|1,1,0]=4 604 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 4247509 [0,1,0,1,0,0|1,0,0]=3 605 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 1435637 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.18 CN1CC2=C(C=CC=C2)C1=O 6338564 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 6850887 [0,1,0,1,0,0|1,0,0]=3 608 B12R2.18 NC1CC2=CC=CC=C2C1O 2048787 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.18 O=C1NC2=CC=CC=C2C1=O 2828769 [0,1,0,1,0,0|1,0,1]=4 610 B12R2.32 BrCC1CC2=CC=CC=C2O1 1118572 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 2214407 [0,1,0,1,0,0|1,0,1]=4 612 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 0116640014 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.32 O=CC1=CC2=CC=CC=C2O1 1178897 [0,1,0,1,0,0|0,0,1]=3 614 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 2828881 [0,1,0,1,0,0|0,0,2]=4 615 B12R2.202 FC1=C2N=C(S)OC2=CC=C1 7010485 [0,1,0,1,0,0|1,1,0]=4 616 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 3629147 [0,1,0,1,0,0|1,0,0]=3 617 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 1047609 [0,1,0,1,0,0|1,0,0]=3 618 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 6932228 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 1367372 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.8 OCCC1=CC=CS1 22430596 [1,0,0,0,1,0|1,0,1]=4 621 B8R1.7 C1=NC(C(=O)O)=CS1 1088027 [0,0,0,0,2,0|2,0,0]=4 622 B8R1.7 CC(=O)C1=CC=CO1 1778595 [0,0,0,0,2,0|2,0,0]=4 623 B8R1.7 CC(=O)C1=CC=CS1 14605036 [0,0,0,0,2,0|2,0,0]=4 624 B8R1.7 O=C(Cl)C1=CC=CO1 1051704 [0,0,0,0,2,0|2,0,0]=4 625 B8R1.7 O=C(Cl)C1=CC=CS1 1051705 [0,0,0,0,2,0|2,0,0]=4 626 B8R1.7 O=C(O)C1=CC=CN1 2825772 [0,0,0,0,2,0|1,0,0]=3 627 B8R1.7 O=C(O)C1=CC=CO1 2825796 [0,0,0,0,2,0|1,0,0]=3 628 B8R1.7 O=C(O)C1=CC=CS1 1509751 [0,0,0,0,2,0|1,0,0]=3 629 B8R1.7 O=C(O)C1=CN=CO1 3488494 [0,0,0,0,2,0|2,0,0]=4 630 B8R1.7 O=C(O)C1=COC=C1 2825797 [0,0,0,0,2,0|1,0,0]=3 631 B8R1.7 O=C(O)C1=CSC=N1 2225865 [0,0,0,0,2,0|2,0,0]=4 632 B8R1.7 O=C(O)C1=NNC=C1 2128182 [0,0,0,0,2,0|2,0,0]=4 633 B12R1.252 CC(=O)NCCC1=CC=CC=C1 7112901217 [0,0,0,0,0,2|1,0,0]=3 634 B12R1.252 N=C(N)NCCC1=CC=CC=C1 8916366 [0,0,0,0,0,2|2,0,0]=4 635 B12R1.252 NC(=O)NCCC1=CC=CC=C1 1779976 [0,0,0,0,0,2|1,0,0]=3 636 B12R1.252 O=C(O)CCCC1=CC=CN=C1 1780062 [0,0,0,0,0,2|1,0,0]=3 637 B12R1.252 O=C(O)CCNC1=CC=CC=C1 1142576 [0,0,0,0,0,2|0,0,0]=2 638 B12R1.252 O=C(O)CCNC1=NC=CC=N1 2140215 [0,0,0,0,0,2|2,0,0]=4 639 B12R1.252 O=C(O)CCOC1=CC=CC=C1 0125160240 [0,0,0,0,0,2|0,0,0]=2 640 B12R1.252 O=C(O)CCSC1=CC=CC=C1 7020661248 [0,0,0,0,0,2|0,0,0]=2 641 B12R1.252 O=C(O)CNCC1=CC=CC=C1 1276806 [0,0,0,0,0,2|0,0,0]=2 642 B12R1.252 O=C(O)CNCC1=CC=CC=C1 3037016 [0,0,0,0,0,2|0,0,0]=2 643 B12R1.252 O=C(O)COCC1=CC=CC=C1 2048919 [0,0,0,0,0,2|0,0,0]=2