0 B10R1.66 CC(=O)OCC1=CC=CO1 068583 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 NC(=S)NCC1=CC=CO1 018703 [0,0,0,0,0,0|2,1,1]=4 2 B10R1.66 O=C(O)CCC1=CC=CO1 011752 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.66 O=C(O)\C=C\C1=CC=CO1 099099 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.66 O=C(O)\C=C\C1=CC=CS1 018999 [0,0,0,0,0,0|1,1,0]=2 5 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 060504 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 103153 [0,1,0,0,0,0|0,0,1]=2 7 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 024867 [0,0,0,1,0,0|2,0,1]=4 8 B11R2.36 BrC1=CC=C2SC=CC2=C1 037026 [0,0,0,1,0,0|1,1,1]=4 9 B11R2.36 CC1=CC2=C(C=C1)N=CN2 245617 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.36 CC1=CC2=C(C=CN2)C=C1 016244 [0,0,0,1,0,0|3,0,0]=4 11 B11R2.36 CC1=CC=C2C=CNC2=N1 092002 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.36 CC1=CC=C2NC=CC2=C1 040072 [0,0,0,1,0,0|2,0,0]=3 13 B11R2.36 CC1=CC=C2SC=CC2=C1 017331 [0,0,0,1,0,0|1,1,0]=3 14 B11R2.36 CC1=CN=C2NC=CC2=C1 079607 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.36 ClC1=CC=C2NC=CC2=C1 040175 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.36 ClC1=NC2=C(C=C1)NC=C2 043523 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.36 FC1=CC=C2NC=CC2=C1 006240 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.36 IC1=CC=C2NC=CC2=C1 067484 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.36 NC1=CC=C2NC=CC2=C1 023428 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.36 OC1=CC2=C(C=C1)NC=C2 016237 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.13 CC(=O)NC1=CC=CS1 093044 [0,0,0,0,1,0|1,1,0]=3 22 B9R1.13 CC(=O)NC1=NC=CS1 013388 [0,0,0,0,1,0|2,1,0]=4 23 B9R1.13 O=C(Cl)CC1=CC=CS1 003050 [0,0,0,0,1,0|1,1,1]=4 24 B9R1.13 O=C(O)CC1=CC=CS1 044684 [0,0,0,0,1,0|1,1,1]=4 25 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [0,0,0,0,0,1|1,0,2]=4 26 B11R1.91 CC(=O)NCC1=CC=NC=C1 032566 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [0,0,0,0,0,1|1,0,0]=2 28 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [0,0,0,0,0,1|1,0,0]=2 29 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 009847 [0,0,0,0,0,1|2,0,0]=3 35 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 239114 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.8 CNCC1=CC=CO1 226183 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.11 CCOC(=O)C1=CC=CO1 094583 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 014744 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [0,1,0,0,0,1|1,0,0]=3 50 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [0,1,0,0,0,1|1,0,1]=4 52 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 185695 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.125 NC(=O)\C=C\C1=C(F)C=CC=C1 102686 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F 014739 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.59 CC(=O)OCC1=CC=C(C=O)O1 223769 [0,2,0,0,0,0|1,0,1]=4 66 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [0,0,1,1,0,0|2,0,0]=4 67 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [0,0,1,1,0,0|2,0,0]=4 68 B10R1.18 CC(=O)NC1=CC=CN=C1 032565 [0,0,1,1,0,0|2,0,0]=4 69 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 035873 [0,0,1,1,0,0|1,0,0]=3 72 B10R1.61 CC(=O)C1=C(F)C=CC=C1 001616 [0,0,1,1,0,0|1,0,0]=3 73 B10R1.61 CC(=O)C1=CC=CC=C1Cl 003397 [0,0,1,1,0,0|1,0,0]=3 74 B10R1.61 CC(=O)C1=CC=CC=C1I 075032 [0,0,1,1,0,0|1,0,0]=3 75 B10R1.61 CC(=O)C1=CC=CC=C1N 076856 [0,0,1,1,0,0|1,0,0]=3 76 B10R1.61 CC(=O)C1=CC=CC=C1O 078584 [0,0,1,1,0,0|0,0,0]=2 77 B10R1.61 CC(=O)C1=CC=CN=C1Cl 044180 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.61 CC(=O)C1=CC=CN=C1F 233395 [0,0,1,1,0,0|2,0,0]=4 79 B10R1.61 CC(C)C1=CC=CC=C1O 208839 [0,0,1,1,0,0|1,0,1]=4 80 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 387693 [0,0,1,1,0,0|2,0,0]=4 81 B10R1.61 CC1=C(C(N)=O)C=CC=C1 341826 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.61 CC1=CC=CC=C1C(=O)O 242818 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 001052 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.61 NC(=O)C1=C(F)C=CC=C1 002696 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.61 NC(=O)C1=C(N)C=CC=C1 018166 [0,0,1,1,0,0|2,0,0]=4 86 B10R1.61 NC(=O)C1=CC=CC=C1Cl 018355 [0,0,1,1,0,0|2,0,0]=4 87 B10R1.61 NC(=O)C1=CC=CC=C1I 242099 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.61 NC(=O)C1=CC=CC=C1O 091532 [0,0,1,1,0,0|1,0,0]=3 89 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 001051 [0,0,1,1,0,0|2,0,0]=4 90 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 033704 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 001420 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 044618 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 003019 [0,0,1,1,0,0|2,0,0]=4 94 B10R1.61 O=C(O)C1=C(F)C=CC=C1 001700 [0,0,1,1,0,0|2,0,0]=4 95 B10R1.61 O=C(O)C1=C(S)C=CC=C1 051239 [0,0,1,1,0,0|1,1,0]=4 96 B10R1.61 O=C(O)C1=CC=CC=C1Cl 209204 [0,0,1,1,0,0|2,0,0]=4 97 B10R1.61 O=C(O)C1=CC=CC=C1I 079522 [0,0,1,1,0,0|2,0,0]=4 98 B10R1.61 O=C(O)C1=CC=CC=C1O 065853 [0,0,1,1,0,0|1,0,0]=3 99 B10R1.61 O=C(O)C1=CC=CC=C1O 102073 [0,0,1,1,0,0|1,0,0]=3 100 B10R1.61 O=C(O)C1=CC=CN=C1O 009264 [0,0,1,1,0,0|2,0,0]=4 101 B10R1.61 O=C(O)C1=CN=CC=C1O 065976 [0,0,1,1,0,0|2,0,0]=4 102 B10R1.61 O=C(O)C1=NC=CC=C1O 046828 [0,0,1,1,0,0|2,0,0]=4 103 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 012754 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O 222309 [0,0,1,1,0,0|2,0,0]=4 105 B10R1.30 CC1=CC=C(O)C(C=O)=C1 015625 [0,0,1,1,0,0|2,0,0]=4 106 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 240370 [0,0,1,1,0,0|0,0,2]=4 107 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 008816 [0,0,1,1,0,0|1,0,0]=3 108 B10R1.113 CC(=O)C1=CC(C)=CC=C1 349312 [0,0,1,1,0,0|1,0,0]=3 109 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 024871 [0,0,1,1,0,0|1,0,0]=3 110 B10R1.113 CC(=O)C1=CC(F)=CC=C1 001467 [0,0,1,1,0,0|1,0,0]=3 111 B10R1.113 CC(=O)C1=CC(I)=CC=C1 147400 [0,0,1,1,0,0|1,0,0]=3 112 B10R1.113 CC(=O)C1=CC(N)=CC=C1 001722 [0,0,1,1,0,0|1,0,0]=3 113 B10R1.113 CC(=O)C1=CC=CC(O)=C1 078748 [0,0,1,1,0,0|0,0,0]=2 114 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 300933 [0,0,1,1,0,0|1,0,1]=4 115 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 077437 [0,0,1,1,0,0|2,0,0]=4 116 B10R1.113 CC(=O)C1=NC(C)=CC=C1 215987 [0,0,1,1,0,0|2,0,0]=4 117 B10R1.113 CC(=O)C1=NC=CC(C)=C1 068379 [0,0,1,1,0,0|2,0,0]=4 118 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 047445 [0,0,1,1,0,0|2,0,0]=4 119 B10R1.113 CC(C)C1=CC=CC(O)=C1 099128 [0,0,1,1,0,0|1,0,1]=4 120 B10R1.113 CC1=CC(C(=O)Cl)=CC=C1 095026 [0,0,1,1,0,0|2,0,0]=4 121 B10R1.113 CC1=CC(C(=O)O)=CC=C1 242869 [0,0,1,1,0,0|2,0,0]=4 122 B10R1.113 CC1=CC(C(N)=O)=CC=C1 324085 [0,0,1,1,0,0|2,0,0]=4 123 B10R1.113 CN(C)C1=CC(O)=CC=C1 080296 [0,0,1,1,0,0|2,0,0]=4 124 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 036153 [0,0,1,1,0,0|2,0,0]=4 125 B10R1.113 NC(=O)C1=CC(F)=CC=C1 006180 [0,0,1,1,0,0|2,0,0]=4 126 B10R1.113 NC(=O)C1=CC(I)=CC=C1 036159 [0,0,1,1,0,0|2,0,0]=4 127 B10R1.113 NC(=O)C1=CC(N)=CC=C1 018167 [0,0,1,1,0,0|2,0,0]=4 128 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 018356 [0,0,1,1,0,0|2,0,0]=4 129 B10R1.113 NC1=CC(C(=O)O)=CC=C1 078487 [0,0,1,1,0,0|2,0,0]=4 130 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 024397 [0,0,1,1,0,0|2,0,0]=4 131 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 098670 [0,0,1,1,0,0|2,0,0]=4 132 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 001641 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 014704 [0,0,1,1,0,0|2,0,0]=4 134 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 109800 [0,0,1,1,0,0|2,0,0]=4 135 B10R1.113 O=C(O)C1=CC(F)=CC=C1 002167 [0,0,1,1,0,0|2,0,0]=4 136 B10R1.113 O=C(O)C1=CC(I)=CC=C1 147800 [0,0,1,1,0,0|2,0,0]=4 137 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 078545 [0,0,1,1,0,0|2,0,0]=4 138 B10R1.113 O=C(O)C1=CC=CC(O)=C1 208854 [0,0,1,1,0,0|1,0,0]=3 139 B10R1.113 O=C(O)C1=CC=CC(O)=N1 045246 [0,0,1,1,0,0|2,0,0]=4 140 B10R1.113 O=C(O)C1=CC=NC(O)=C1 043645 [0,0,1,1,0,0|2,0,0]=4 141 B10R1.113 O=C(O)C1=NC=CC(O)=C1 093182 [0,0,1,1,0,0|2,0,0]=4 142 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 024562 [0,0,1,1,0,0|2,0,0]=4 143 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [1,0,0,1,0,0|1,0,1]=4 144 B10R2.7 C1=CC2=C(C=CN2)N=C1 036833 [1,0,0,1,0,0|2,0,0]=4 145 B10R2.7 C1=CC=C2NC=CC2=C1 068792 [1,0,0,1,0,0|1,0,1]=4 146 B10R2.7 C1=CC=C2OC=CC2=C1 078727 [1,0,0,1,0,0|0,0,1]=3 147 B10R2.7 C1=CC=C2OC=NC2=C1 078910 [1,0,0,1,0,0|1,0,1]=4 148 B10R2.7 C1=CC=C2SC=CC2=C1 003497 [1,0,0,1,0,0|0,1,1]=4 149 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 208923 [0,0,0,1,0,1|2,0,0]=4 150 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [0,0,0,1,0,1|2,0,0]=4 151 B12R2.24 CC1=CC=C2N=CC=NC2=C1 002740 [0,0,0,1,0,1|2,0,0]=4 152 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [0,0,0,1,0,1|2,0,0]=4 153 B12R2.24 CC1=NC2=NC=CC=C2C=C1 208943 [0,0,0,1,0,1|2,0,0]=4 154 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [0,0,0,1,0,1|2,0,0]=4 155 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [0,0,0,1,0,1|2,0,0]=4 156 B12R2.44 COC1=CC2=C(C=C1)NC=C2 024491 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.44 COC1=CC=C2NC=CC2=N1 079575 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.44 CSC1=CC=C2NC=CC2=C1 040233 [0,1,0,1,0,0|2,0,0]=4 159 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 016156 [0,1,0,1,0,0|1,0,1]=4 160 B12R2.132 CC1=CC2=C(C=C1)SC=C2C 049846 [0,1,0,1,0,0|1,1,0]=4 161 B12R2.606 CC1=CC2=C(C=C1)OC(=O)N2 094105 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 023432 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.7 CC(=O)C1=CC=CN1 002744 [0,0,0,0,2,0|1,0,0]=3 164 B8R1.7 CC(=O)C1=CC=CO1 088461 [0,0,0,0,2,0|0,0,0]=2 165 B8R1.7 CC(=O)C1=CC=CS1 005042 [0,0,0,0,2,0|0,1,0]=3 166 B8R1.7 CC(=O)C1=CSC=C1 013392 [0,0,0,0,2,0|2,0,0]=4 167 B8R1.7 CC(=O)C1=NC=CS1 002759 [0,0,0,0,2,0|1,1,0]=4 168 B8R1.7 NC(=O)C1=CC=CO1 317695 [0,0,0,0,2,0|1,0,0]=3 169 B8R1.7 NC(=O)C1=CC=CS1 336641 [0,0,0,0,2,0|1,1,0]=4 170 B8R1.7 NC(=S)C1=CC=CO1 068584 [0,0,0,0,2,0|1,1,0]=4 171 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [0,0,0,0,2,0|1,0,0]=3 172 B8R1.7 O=C(Cl)C1=CC=CS1 099110 [0,0,0,0,2,0|1,1,0]=4 173 B8R1.7 O=C(O)C1=CC=CN1 066141 [0,0,0,0,2,0|2,0,0]=4 174 B8R1.7 O=C(O)C1=CC=CO1 093393 [0,0,0,0,2,0|1,0,0]=3 175 B8R1.7 O=C(O)C1=CC=CS1 003042 [0,0,0,0,2,0|1,1,0]=4 176 B8R1.7 O=C(O)C1=CC=NO1 017345 [0,0,0,0,2,0|2,0,0]=4 177 B8R1.7 O=C(O)C1=NC=CO1 047101 [0,0,0,0,2,0|2,0,0]=4 178 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [1,0,0,0,0,1|1,0,0]=3 179 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [1,0,0,0,0,1|1,0,0]=3