0 B10R1.18 CC(=O)CC1=NC=CN=C1 P10609 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CNCC1=NC=NC=C1 AT18327 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 CNCC1=NC=NC=C1 I11999 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 O\N=C\C1=NC=CC=C1 W16238 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 T71190 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.20 CC(C)OC1=CN=C(Br)C=N1 75466 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 O10485 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 N12503 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.36 CC(C)[C@H](N)C1=CC=NC=C1 F30606 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 F14834 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.86 CC(C)OC1=C(Br)C=NC=C1 N11835 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 E72076 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 AT26737 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D88825 [0,1,0,0,0,0|2,0,0]=3 34 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,0,0,1,0,0|2,0,0]=3 35 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [0,0,0,0,1,0|2,0,0]=3 37 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [0,0,0,0,1,0|2,0,0]=3 40 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [0,0,0,0,1,0|1,0,0]=2 42 B9R1.6 O=C([O-])C1=NC=CC=C1 D91960 [0,0,0,0,1,0|2,0,1]=4 43 B9R1.13 CC(C)CC1=NNC=C1 AC7490 [0,0,0,0,1,0|1,0,0]=2 44 B9R1.13 CN(C)C=C1C=CC=C1 C76211 [0,0,0,0,1,0|1,0,1]=3 45 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,0,0,0,1,0|2,0,0]=3 46 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [0,0,0,0,0,1|1,0,2]=4 48 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [0,0,0,0,0,1|1,0,1]=3 49 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,0,0,0,0,1|1,0,0]=2 50 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.2 BrCC1=NC=CC=C1 D87709 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.2 C=CC1=NC=CC=C1 91716 [2,0,0,0,0,0|0,0,2]=4 57 B8R1.2 CCC1=CC=CN=C1 D87724 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 CCC1=CC=NC=C1 D90449 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 CCC1=NC=CC=C1 AT23190 [2,0,0,0,0,0|0,0,0]=2 60 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 OCC1=NC=CC=N1 W13843 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.1 CCNC1=NC=C(Br)C=C1 97201 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.1 CCNC1=NC=C(Br)C=N1 92239 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.1 CCOC1=NC=C(Cl)C=N1 AT18422 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.4 CCCC1=NC=CN=C1C D91392 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.4 CCOC1=NC=CN=C1Br D83226 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.10 CCNC1=CC(Cl)=NC=N1 W10445 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.10 CCOC1=CN=CC(Cl)=N1 71907 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.15 COC(=N)C1=NC=CC=C1 77277 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.17 COCCC1=NC=CC=C1 D91306 [1,1,0,0,0,0|0,0,0]=2 101 B10R1.17 NCCNC1=NC=CC=C1 C78639 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.17 NCCNC1=NC=CC=N1 O12010 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.17 NCCNC1=NC=CN=C1 O12008 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.17 OC\C=C\C1=NC=CC=C1 31710 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 D91275 [0,1,0,0,1,0|1,0,1]=4 108 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.13 C[C@H](Cl)C1=CC=C(Br)C=C1 W15990 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 61144 [0,1,0,0,1,0|2,0,0]=4 111 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 N11998 [0,1,0,0,1,0|2,0,0]=4 112 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10878 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 D90991 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.28 CC(C)(Cl)C1=CC=CC=C1 A10188 [0,1,0,0,1,0|1,0,0]=3 115 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.61 CC1=CC=CN=C1[C@H](C)N F16866 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.113 CC(C)C1=CC(N)=NC=N1 32803 [0,1,0,0,1,0|1,0,0]=3 118 B10R1.113 CC(C)C1=CC=CC(O)=C1 D87686 [0,1,0,0,1,0|1,0,0]=3 119 B10R1.113 CN(C)C1=CC(N)=CC=C1 D84323 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.113 CN(C)C1=CC=NC(Cl)=N1 C15543 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.23 CC(C)[C@H](N)C1=CC=CS1 N12452 [0,1,0,0,1,0|1,0,0]=3 122 B10R1.54 CC(C)CC1=NN=C(N)N1 AT12229 [0,1,0,0,1,0|2,0,0]=4 123 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 F53163 [0,1,0,0,0,1|1,0,0]=3 124 B12R1.21 CC(C)CNC1=NC=C(Br)C=C1 O11389 [0,1,0,0,0,1|0,0,0]=2 125 B12R1.21 CC1=CC=C(OC[C@H](C)O)C=C1 D91440 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [0,1,0,0,0,1|1,0,0]=3 127 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [0,1,0,0,0,1|2,0,0]=4 128 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 D88734 [0,1,0,0,0,1|1,0,0]=3 129 B12R1.107 CC(C)C[C@H](N)C1=CC=CN=C1 F30605 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 L10184 [0,1,0,0,0,1|1,0,1]=4 131 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L10160 [0,1,0,0,0,1|1,0,0]=3 132 B12R1.125 CC1=C(OC[C@H](C)O)C=CC=C1 D91438 [0,1,0,0,0,1|2,0,0]=4 133 B12R1.226 CC(=O)OCC1=NC(C)=CC=C1 C14592 [0,1,0,0,0,1|1,0,1]=4 134 B12R1.226 CC1=CC=CC(OC[C@H](C)O)=C1 D91439 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.891 CC(C)(C)\N=C\C1=CC=CC=C1 A10209 [0,1,0,0,0,1|1,0,1]=4 136 B12R1.891 C[Si](C)(C)CSC1=CC=CC=C1 D92083 [0,1,0,0,0,1|1,1,0]=4 137 B12R1.891 C[Si](C)(C)NCC1=CC=CC=C1 T70310 [0,1,0,0,0,1|1,1,0]=4 138 B12R1.891 C[Si](C)(C)OCC1=CC=CC=C1 D89173 [0,1,0,0,0,1|1,1,0]=4 139 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 D86769 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.19 CC(C)OC1=CC(Cl)=C(Br)C=C1 C15552 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(Cl)C=C1 AC8012 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 75091 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.106 CC1=CC=C(CC(C)(C)O)C=C1 D78400 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.233 CC(C)NC1=C(F)C=C(F)C=C1 C77822 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.233 CC1=CC(N)=CN=C1OC(C)C O11600 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 AC6013 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.225 CN(C)C(=O)C1=CC=CC(Br)=N1 C91406 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.32 CN(CCCl)CC1=CC=CC=C1 30794 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 C13549 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 70935 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 E72146 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 S11094 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.438 CC(C)OC1=CC(CO)=CC=C1 I11298 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 F12762 [0,2,0,0,0,0|2,0,0]=4 156 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 W18555 [0,0,0,1,0,1|2,0,0]=4 157 B12R2.2057 C1=CC(OCC2CC2)=NC=N1 O11090 [0,0,0,1,0,1|1,0,0]=3 158 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 T72863 [0,0,0,1,0,1|2,0,0]=4 159 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 AC4955 [0,0,0,1,0,1|2,0,0]=4 160 B12R2.18 NC1C2=C(C=CC=C2)CC1O 32663 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O D86558 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.18 OC1CC2=C(C=CC=C2)C1O D90171 [0,1,0,1,0,0|2,0,0]=4 163 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F14028 [0,1,0,1,0,0|1,0,0]=3 164 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 32628 [0,1,0,1,0,0|0,0,0]=2 165 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 AC5785 [0,1,0,1,0,0|2,0,0]=4 166 B12R2.1286 BrC1=CC(SC2CC2)=CC=C1 F30463 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.8 CCCC1=CC=CO1 D92136 [1,0,0,0,1,0|1,0,0]=3 168 B8R1.8 CCNC1=CC=CS1 23456 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.8 CNCC1=NC=CS1 27052 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.8 CNCC1=NOC=C1 33339 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.8 NCCC1=CC=CS1 F14846 [1,0,0,0,1,0|2,0,0]=4 172 B8R1.8 OCCC1=CNC=N1 37556 [1,0,0,0,1,0|2,0,0]=4 173 B8R1.8 OCCN1C=CC=C1 T72813 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.7 CC(C)C1=NNC=N1 AT12264 [0,0,0,0,2,0|2,0,0]=4 175 B8R1.7 CC(C)N1C=NC=N1 81670 [0,0,0,0,2,0|2,0,0]=4 176 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [0,0,0,0,2,0|2,0,0]=4 177 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53348 [0,0,0,0,0,2|2,0,0]=4