0 B10R1.15 C=CC(O)c1ccccc1 M28378 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 NCC(O)c1ccccc1 M19713 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 O=CC(=O)c1ccccc1 M28183 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.6 CC(=O)c1ccccc1 M20888 [1,0,0,0,0,0|0,0,1]=2 7 B9R1.6 CC(=O)c1cnccn1 M20258 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 C[C@H](O)c1ccccc1 M19564 [1,0,0,0,0,0|0,0,1]=2 9 B9R1.6 N=C(N)c1ccccc1 M21570 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 O=C(O)c1ccccn1 M19678 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 O=C(O)c1ccncc1 M22651 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 O=C([O-])c1ccccc1 M21192 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 O=C([O-])c1ccccn1 M18036 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 O=[PH](O)c1ccccc1 M27267 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 OB(O)c1ccccc1 M27962 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|0,0,0]=1 28 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|0,0,2]=3 29 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.16 C[C@@H](N=C=S)c1ccccc1 M27150 [0,1,0,0,0,0|0,1,1]=3 32 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 M14651 [0,1,0,0,0,0|0,0,2]=3 34 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,1,0,0,0,0|1,0,0]=2 39 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [0,0,0,1,0,0|2,0,1]=4 40 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [0,0,0,1,0,0|1,0,1]=3 41 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [0,0,0,1,0,0|1,0,1]=3 42 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [0,0,0,0,0,1|2,0,1]=4 43 B8R1.2 C=CC1=CC=CC=N1 M19493 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|0,0,0]=2 48 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|0,0,1]=3 49 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,1,0,0,0,0|0,0,1]=3 52 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,1,0,0,0,0|0,0,1]=3 53 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,1,0,0,0,0|0,0,1]=3 57 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 M17719 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [1,1,0,0,0,0|0,0,1]=3 62 B10R1.61 CC(=O)c1ccccc1C M28091 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [1,1,0,0,0,0|0,0,1]=3 64 B10R1.61 Cc1ccccc1C(=O)O M21382 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [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 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.113 Cc1cccc(C(=O)Cl)c1 M21101 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.113 NC(=O)C1=CC(N)=CC=C1 M14208 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 M29526 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.4 C=CCc1ccccc1O M27275 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.17 CCOCc1ccccc1 M28093 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [1,1,0,0,0,0|0,0,1]=3 85 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,1,0,0,0,0|0,1,1]=4 90 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.18 CC(=S)Nc1ccccc1 M27241 [1,1,0,0,0,0|1,1,0]=4 93 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.23 N[C@H](C(=O)O)c1ccsc1 M28171 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M15427 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M15568 [0,1,0,0,0,1|1,0,0]=3 98 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [0,1,0,0,0,1|1,0,1]=4 99 B12R1.43 O=C(O)C(O)Cc1ccccc1 M19335 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 M20030 [0,1,0,0,0,1|1,0,0]=3 101 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 M19976 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [0,1,0,0,0,1|1,0,1]=4 103 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O M28293 [0,1,0,0,0,1|1,0,0]=3 104 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 M16489 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.107 CC(CC(=O)O)c1ccccc1 M27054 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.20 N[C@H](C(=O)O)c1ccc(F)cc1 M27369 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 M19593 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.225 NC(C(=O)O)c1cccc(O)c1 M27697 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.225 O=C(O)C(O)c1cccc(O)c1 M20931 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.225 [C@@H](N)(C(=O)O)C1=CC(O)=CC=C1 M27701 [0,2,0,0,0,0|1,0,0]=3 113 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|0,0,1]=3 114 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|0,0,2]=4 115 B12R2.18 O=C1NC2=CC=CC=C2C1=O M19257 [0,0,0,1,0,1|1,0,1]=4 116 B12R2.1 O=Cc1coc2ccccc12 M21266 [0,1,0,1,0,0|0,0,2]=4 117 B12R2.1 OCC1=CNC2=C1C=CC=C2 M15686 [0,1,0,1,0,0|1,0,1]=4