0 B10R1.15 C=CC(O)c1ccccc1 M28378 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 CNC(=O)c1cccnc1 M20018 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 COC(=O)c1ccccn1 M27521 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 COC(=O)c1cccnc1 M20301 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.15 NCC(O)c1ccccc1 M19713 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.15 O=CC(=O)c1ccccc1 M28183 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 CC(=O)c1ccccc1 M20888 [1,0,0,0,0,0|0,0,2]=3 10 B9R1.6 C[C@H](O)c1ccccc1 M19564 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.6 N=C(N)c1ccccc1 M21570 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 O=C(O)c1ccccn1 M19678 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 O=C(O)c1ccncc1 M22651 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 O=C([O-])c1ccccc1 M21192 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.6 O=[PH](O)c1ccccc1 M27267 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 OB(O)c1ccccc1 M27962 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [0,1,0,0,0,0|0,0,2]=3 30 B11R1.16 C[C@@H](N=C=S)c1ccccc1 M27150 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,1,0,0,0,0|0,0,2]=3 33 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,1,0,0,0,0|0,0,3]=4 38 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [0,1,0,0,0,0|0,0,2]=3 42 B11R1.222 COC(=O)C1=CC=CC=C1N M23499 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [0,1,0,0,0,0|1,0,2]=4 44 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [0,0,0,1,0,0|0,0,2]=3 45 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|0,0,2]=4 51 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|0,0,0]=2 52 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,1,0,0,0,0|0,0,2]=4 56 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.61 CC(=O)c1ccccc1C M28091 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.61 Cc1ccccc1C(=O)O M21382 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.61 Nc1ccccc1C(=O)O M19857 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 M29526 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.4 C=CCc1ccccc1O M27275 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.17 CCOCc1ccccc1 M28093 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.17 CNCCc1ccccn1 M18815 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,1,0,0,0,0|0,0,0]=2 86 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.18 CC(=S)Nc1ccccc1 M27241 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [0,1,0,0,0,1|0,0,2]=4 94 B12R1.43 O=C(O)C(O)Cc1ccccc1 M19335 [0,1,0,0,0,1|1,0,1]=4 95 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 M20030 [0,1,0,0,0,1|1,0,1]=4 96 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 M19976 [0,1,0,0,0,1|1,0,1]=4 97 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,1,0,0,0,1|0,0,2]=4 98 B12R1.10 CC[N+](C)(C)c1cccc(O)c1 M20518 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 M16489 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [0,2,0,0,0,0|0,0,2]=4 102 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 M16729 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.16 CNCC(O)c1ccc(O)cc1 M18871 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.17 CCOC(=O)c1cccc(N)c1 M24908 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M15335 [0,2,0,0,0,0|0,0,0]=2 109 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M24587 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.30 CCCCC(O)C1=CC=CC=C1 M15139 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,2,0,0,0,0|0,0,2]=4 112 B12R1.107 CC(CC(=O)O)c1ccccc1 M27054 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.308 CCOC(=O)C1=CC=CC=C1O M23356 [0,2,0,0,0,0|0,0,2]=4 114 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 M15678 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 M24540 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.367 NCC(O)c1ccc(O)c(O)c1 M22527 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 M10329 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 M18698 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 M14132 [0,2,0,0,0,0|0,0,0]=2 121 B12R1.225 O=C(O)C(O)c1cccc(O)c1 M20931 [0,2,0,0,0,0|1,0,1]=4 122 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|0,0,0]=2 123 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,0,0,1,0,1|0,0,2]=4 125 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,0,0,1,0,1|0,0,2]=4 126 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,0,0,1,0,1|0,0,2]=4 127 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 M27210 [0,1,0,1,0,0|0,0,0]=2 128 B12R2.612 OB1OCC2=CC(F)=CC=C12 M12647 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.612 OB1OCc2cc(Cl)ccc21 M17372 [0,1,0,1,0,0|2,0,0]=4