0 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=S)Nc1ccccc1 M27241 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 O=C(O)Cc1ccccc1 M19689 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 M10198 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.20 N=C(N)Nc1ccc(Cl)cc1 M27453 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 M22869 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 O=C(O)Cc1ccc(O)cc1 M18084 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.86 O=C(O)Cc1ccccc1O M20039 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 M15352 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 M19519 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 M22104 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.157 CC(N)Cc1cccc(O)c1 M28405 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.157 O=C(O)Cc1cccc(O)c1 M19649 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 M14093 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 M15995 [0,1,0,0,0,0|2,0,0]=3 32 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [0,0,0,1,0,0|0,0,0]=1 33 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [0,0,0,1,0,0|0,0,0]=1 34 B11R2.10 NC1=NC2=CC=CC=C2S1 M11521 [0,0,0,1,0,0|2,0,1]=4 35 B11R2.10 O=C1Cc2ccccc2N1 M22658 [0,0,0,1,0,0|1,0,1]=3 36 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [0,0,0,1,0,0|2,0,1]=4 37 B11R2.10 S=C1NC2=CC=CC=C2S1 M23643 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.6 CC(=O)c1ccccc1 M20888 [0,0,0,0,1,0|1,0,1]=3 39 B9R1.6 C[C@H](O)c1ccccc1 M19564 [0,0,0,0,1,0|1,0,0]=2 40 B9R1.6 N=C(N)c1ccccc1 M21570 [0,0,0,0,1,0|1,0,1]=3 41 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [0,0,0,0,1,0|1,0,1]=3 42 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [0,0,0,0,1,0|2,0,1]=4 43 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [0,0,0,0,1,0|2,0,1]=4 44 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [0,0,0,0,1,0|2,0,1]=4 45 B9R1.6 NC(=S)C1=CC=NC=C1 M13498 [0,0,0,0,1,0|2,0,1]=4 46 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [0,0,0,0,1,0|2,0,1]=4 47 B9R1.6 O=C([O-])c1ccccc1 M21192 [0,0,0,0,1,0|2,0,1]=4 48 B9R1.6 O=[PH](O)c1ccccc1 M27267 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.6 OB(O)c1ccccc1 M27962 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [0,0,0,0,0,1|1,0,1]=3 51 B11R1.91 CC(=O)COc1ccccc1 M27826 [0,0,0,0,0,1|1,0,1]=3 52 B11R1.91 CC(=O)NCc1ccccc1 M22662 [0,0,0,0,0,1|1,0,1]=3 53 B11R1.91 CC(=O)OCc1ccccc1 M20248 [0,0,0,0,0,1|1,0,1]=3 54 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 M19512 [0,0,0,0,0,1|2,0,1]=4 55 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [0,0,0,0,0,1|1,0,2]=4 56 B11R1.91 NC(=O)NCc1ccccc1 M27376 [0,0,0,0,0,1|1,0,1]=3 57 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [0,0,0,0,0,1|1,0,2]=4 58 B11R1.91 O=C(O)CCc1ccccc1 M18665 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|0,0,0]=2 62 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.4 C=CCc1ccccc1O M27275 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.15 CNC(=O)c1ccccc1 M26316 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.15 NCC(O)c1ccccc1 M19713 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,1,0,0,0,0|1,0,0]=3 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|0,0,0]=2 83 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|0,0,0]=2 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 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [0,1,0,0,1,0|1,0,1]=4 90 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [0,1,0,0,1,0|1,0,1]=4 91 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [0,1,0,0,1,0|1,0,0]=3 92 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [0,1,0,0,1,0|1,0,0]=3 94 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 M17719 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [0,1,0,0,1,0|1,0,1]=4 96 B10R1.61 CC(=O)c1ccccc1C M28091 [0,1,0,0,1,0|1,0,1]=4 97 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [0,1,0,0,1,0|1,0,0]=3 98 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.113 NC(=O)C1=CC(N)=CC=C1 M14208 [0,1,0,0,1,0|1,0,1]=4 100 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 M18780 [0,1,0,0,0,1|1,0,1]=4 101 B12R1.21 CN(C)CCc1ccc(O)cc1 M18761 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 M27193 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.21 N=C(N)SCc1ccc(Cl)cc1 M27780 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.27 COC(=O)CCc1ccccc1 M28729 [0,1,0,0,0,1|1,0,1]=4 105 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,1,0,0,0,1|1,0,1]=4 106 B12R1.125 CC(C)COc1ccccc1N M29512 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 M14132 [0,2,0,0,0,0|0,0,0]=2 108 B12R1.32 C#CCN(C)CC1=CC=CC=C1 M13976 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.32 C#CCN(C)CC1=CC=CC=C1 M15018 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [0,2,0,0,0,0|1,0,1]=4 111 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|1,0,0]=3 112 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,1,0,0|1,0,1]=4 113 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|1,0,0]=3 114 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,0,0,1,0,1|1,0,1]=4 115 B12R2.606 O=C1Cc2cc(O)ccc2N1 M28142 [0,1,0,1,0,0|1,0,1]=4 116 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.8 NCCC1=CN=CN1 M14782 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.8 NCCC1=CNC=N1 M18704 [1,0,0,0,1,0|2,0,0]=4