0 B10R1.15 C=CC(O)c1ccccc1 M28378 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 CNC(=O)c1cccnc1 M20018 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 COC(=O)c1ccccn1 M27521 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 COC(=O)c1cccnc1 M20301 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.15 NCC(O)c1ccccc1 M19713 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 O=CC(=O)c1ccccc1 M28183 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.6 CC(=O)c1ccccc1 M20888 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.6 CC(=O)c1cnccn1 M20258 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 C[C@H](O)c1ccccc1 M19564 [1,0,0,0,0,0|0,0,2]=3 15 B9R1.6 N=C(N)c1ccccc1 M21570 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 NC(=O)C1=NC=CN=C1 M16904 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 NC(=S)C1=CC=NC=C1 M13498 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 O=C(O)c1ccccn1 M19678 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 O=C(O)c1ccncc1 M22651 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 O=C([O-])c1ccccc1 M21192 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.6 O=C([O-])c1ccccn1 M18036 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 O=[PH](O)c1ccccc1 M27267 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 OB(O)c1ccccc1 M27962 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.16 O=C(NCO)c1cccnc1 M21146 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.16 [N-]=[N+]=NC(=O)c1cccnc1 M27781 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.23 COC(=O)C1=CC(C)=CN=C1 M13906 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 M14651 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,1,0,0,0,0|0,0,1]=2 54 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.222 COC(=O)C1=CC=CC=C1N M23499 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.222 COC(=O)c1nccnc1N M27561 [0,1,0,0,0,0|3,0,0]=4 59 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [0,0,0,1,0,0|2,0,1]=4 60 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [0,0,0,1,0,0|0,0,0]=1 61 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [0,0,0,1,0,0|2,0,1]=4 62 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.11 COC(=O)c1ccco1 M21355 [0,0,0,0,1,0|2,0,0]=3 64 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [0,0,0,0,0,1|0,0,2]=3 65 B8R1.2 C=CC1=CC=CC=N1 M19493 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|0,0,0]=2 70 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.13 NC(=O)c1ccc(N)nc1 M20842 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 M17719 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.61 CC(=O)c1ccccc1C M28091 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.61 Cc1ccccc1C(=O)O M21382 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.61 Nc1ccccc1C(=O)O M19857 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.61 O=C(O)C1=NC=CC=C1S M24253 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.61 O=C(O)c1ncccc1O M20615 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.113 C[n+]1cccc(C(=O)O)c1 M18902 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 M18756 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.113 C[n+]1cccc(C(N)=O)c1 M19773 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.113 Cc1cccc(C(=O)Cl)c1 M21101 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.113 NC(=O)C1=CC(N)=CC=C1 M14208 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 M13105 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 M29526 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 M13693 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.4 O\N=C\C1=CC=CC=C1O M24996 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.17 CCOCc1ccccc1 M28093 [1,1,0,0,0,0|0,0,1]=3 114 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.17 CNCCc1ccccn1 M18815 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [1,1,0,0,0,0|0,0,2]=4 122 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,1,0,0,0,0|0,0,1]=3 123 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.18 CC(=S)Nc1ccccc1 M27241 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.14 COC(=O)C1=CC(Br)=CN1 M29527 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.14 COC(=O)C1=CC=C(Br)N1 M29538 [0,1,0,0,1,0|2,0,0]=4 130 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [0,1,0,0,0,1|0,0,0]=2 131 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [0,1,0,0,0,1|1,0,1]=4 132 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [0,1,0,0,0,1|1,0,1]=4 133 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,1,0,0,0,1|0,0,0]=2 134 B12R1.10 CC[N+](C)(C)c1cccc(O)c1 M20518 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 M16489 [0,2,0,0,0,0|0,0,1]=3 136 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,2,0,0,0,0|0,0,0]=2 137 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [0,2,0,0,0,0|0,0,0]=2 138 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,2,0,0,0,0|0,0,0]=2 139 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [0,2,0,0,0,0|0,0,0]=2 140 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 M16729 [0,2,0,0,0,0|0,0,2]=4 141 B12R1.16 CNCC(O)c1ccc(O)cc1 M18871 [0,2,0,0,0,0|0,0,2]=4 142 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,2,0,0,0,0|0,0,0]=2 143 B12R1.17 CCOC(=O)c1cccc(N)c1 M24908 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M15335 [0,2,0,0,0,0|0,0,2]=4 145 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M24587 [0,2,0,0,0,0|0,0,2]=4 146 B12R1.30 CCCCC(O)C1=CC=CC=C1 M15139 [0,2,0,0,0,0|0,0,2]=4 147 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,2,0,0,0,0|0,0,0]=2 148 B12R1.308 CCOC(=O)C1=CC=CC=C1O M23356 [0,2,0,0,0,0|0,0,0]=2 149 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M13431 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.367 O=C(NO)C1=CC=C(O)C(O)=C1 M15680 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M23976 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 M14132 [0,2,0,0,0,0|0,0,2]=4 155 B12R1.358 COC(=O)C1=CC(O)=CC(O)=C1 M13432 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.77 CNc1ccccc1C(=O)OC M24853 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1Cl M21761 [0,2,0,0,0,0|1,0,0]=3 158 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|0,0,2]=4 159 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,1,0,0|2,0,0]=4 160 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|1,0,0]=3 161 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,0,0,1,0,1|0,0,0]=2 162 B12R2.18 O=C1NC2=CC=CC=C2C1=O M19257 [0,0,0,1,0,1|1,0,1]=4 163 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [0,0,0,1,0,1|0,0,2]=4 164 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,0,0,1,0,1|0,0,0]=2 165 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,0,0,1,0,1|0,0,0]=2 166 B12R2.1 O=Cc1coc2ccccc12 M21266 [0,1,0,1,0,0|1,0,1]=4 167 B12R2.1 OCC1=CNC2=C1C=CC=C2 M15686 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.2 c1cncc(C2=NCCC2)c1 M20968 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.1081 O=C1N=CNC2=CC=CC=C12 M18645 [0,1,0,1,0,0|1,0,1]=4 170 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 M27210 [0,1,0,1,0,0|0,0,2]=4 171 B12R2.612 O=c1nsc2cc(F)ccc12 M20252 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.7 CC(=O)C1=NC=CS1 M24117 [1,0,0,0,1,0|2,0,0]=4 173 B8R1.7 O=C(O)c1ccco1 M20299 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.7 O=C(O)c1ccoc1 M20037 [1,0,0,0,1,0|2,0,0]=4 175 B12R1.27 COC(=O)CCc1ccccc1 M28729 [0,0,0,0,0,2|1,0,0]=3 176 B12R1.27 COC(=O)\C=C\c1ccccc1 M20228 [0,0,0,0,0,2|1,0,0]=3