0 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [1,0,0,0,0,0|1,0,2]=4 1 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [1,0,0,0,0,0|0,0,1]=2 6 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.36 O=C(C1=CC=CC=C1)C(F)F D63183 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.405 CN(C)[C@@H](CCO)C1=CC=CC=C1 D54993 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.706 CC(C)[C@H](C#N)C1=CC=C(Br)C=C1 B54512 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.1111 CC(C)[C@@H](C(=O)O)C1=CC=CC=C1 A54773 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.1111 CC(C)[C@@H](C(=O)O)C1=CC=CC=C1 M54776 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.1111 CC(C)[C@H](C(=O)O)C1=CC=CC=C1 M54777 [0,1,0,0,0,0|0,0,0]=1 20 B13R2.15 OC1COCC1C2=CC=CC=C2 P52796 [0,0,0,1,0,0|1,0,2]=4 21 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 P10576 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 M53912 [0,0,0,1,0,0|1,0,2]=4 23 B13R2.135 O=C[C@@H]1C(=O)NC2=C1C=CC=C2 X51176 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [2,0,0,0,0,0|0,0,1]=3 26 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C52670 [1,1,0,0,0,0|0,0,1]=3 53 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 B53066 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C53070 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.20 CC(C)[S@](=O)C1=CC=C(Br)C=C1 B50158 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 M55525 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.20 CN(C)C(=O)C1=CC=C(Br)C=C1 B49852 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.20 CN(C)C(=O)C1=CC=C(Cl)C=C1 C49857 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.20 CN(C)C(=O)C1=CC=C(F)C=C1 F49863 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 A50174 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Br)C=C1 B68482 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 B51910 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 F63717 [1,1,0,0,0,0|0,0,1]=3 65 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 B49851 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.124 C[C@H](Br)C(=O)C1=C(Cl)C=CC=C1 B51651 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53069 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53071 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.225 C[C@H](C1=CC=CC(O)=C1)N(C)C D53145 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.564 CC(C)(C)[C@@H](N)C1=CC=CC=C1 D55526 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 D38881 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.6455 CC(=O)O[C@@H](C(=O)O)C1=CC=CC=C1 A69123 [0,1,0,0,0,1|1,0,1]=4 73 B14R1.6455 CC(=O)O[C@H](C(=O)Cl)C1=CC=CC=C1 C66104 [0,1,0,0,0,1|1,0,1]=4 74 B14R1.6455 CC(=O)O[C@H](C(=O)O)C1=CC=CC=C1 A64942 [0,1,0,0,0,1|1,0,1]=4 75 B14R1.703 CC(C)[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C54676 [0,2,0,0,0,0|0,0,0]=2 76 B14R1.703 CC(C)[C@H](C(=O)O)C1=CC=C(Cl)C=C1 C67346 [0,2,0,0,0,0|0,0,0]=2 77 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [1,0,0,1,0,0|1,0,1]=4 78 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|1,0,1]=4 84 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|1,0,1]=4 85 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,1,0,0|0,0,0]=2 88 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 P53837 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [1,0,0,1,0,0|0,0,1]=3 90 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.2075 O[C@H](C1=CN=CC=C1)C2CC2 A50027 [1,0,0,1,0,0|1,0,1]=4 93 B14R2.642 CC(C)N1C(N)=NC2=C1C=CC=C2 A38912 [0,1,0,1,0,0|2,0,0]=4 94 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [1,0,0,0,0,1|1,0,1]=4 95 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,0,0,0,0,1|1,0,0]=3 96 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [1,0,0,0,0,1|2,0,0]=4 97 B14R1.540 CC(C)CC=C(C=O)C1=CC=CC=C1 M39706 [0,0,0,0,0,2|0,0,1]=3