0 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.21 NC1=CC=C([C@H](O)[C@@H](N)CO)C=C1 A50405 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,1,0,0,0,0|1,0,2]=4 42 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 A64478 [0,1,0,0,0,0|2,0,1]=4 43 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [0,0,0,1,0,0|1,0,2]=4 44 B13R2.32 NC1CCC2=C(C=CC=C2)C1O A37316 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 C55483 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55481 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55484 [0,0,0,1,0,0|2,0,0]=3 48 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 C62224 [0,0,0,1,0,0|1,0,2]=4 49 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,0,0,0,0,1|2,0,1]=4 50 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,0,0,0,0,1|2,0,1]=4 51 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,0,0,0,0,1|2,0,1]=4 52 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [2,0,0,0,0,0|0,0,2]=4 54 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [2,0,0,0,0,0|0,0,0]=2 66 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [2,0,0,0,0,0|0,0,2]=4 85 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [2,0,0,0,0,0|1,0,1]=4 90 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C52670 [1,1,0,0,0,0|0,0,2]=4 100 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 B53066 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C53070 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.20 CC(C)[S@](=O)C1=CC=C(Br)C=C1 B50158 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 M55525 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 F63717 [1,1,0,0,0,0|0,0,2]=4 105 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53069 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53071 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.225 C[C@H](C1=CC=CC(O)=C1)N(C)C D53145 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.564 CC(C)(C)[C@@H](N)C1=CC=CC=C1 D55526 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 D38881 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F T48748 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [1,1,0,0,0,0|1,0,1]=4 118 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|1,0,0]=3 125 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|1,0,0]=3 126 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|1,0,0]=3 127 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P60923 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P64140 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.116 NC1(C2=CC=CC=C2)COC1 P7034 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.116 OC1(C2=CC=CC=C2)CNC1 H11459 [1,0,0,1,0,0|0,0,0]=2 132 B12R2.116 OC1(C2=CC=CC=C2)COC1 P1182 [1,0,0,1,0,0|1,0,0]=3 133 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [1,0,0,1,0,0|1,0,0]=3 134 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [1,0,0,1,0,0|1,0,0]=3 137 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [1,0,0,1,0,0|1,0,0]=3 140 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.2075 O[C@H](C1=CN=CC=C1)C2CC2 A50027 [1,0,0,1,0,0|2,0,0]=4 143 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [1,0,0,1,0,0|0,0,2]=4 144 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [1,0,0,1,0,0|2,0,0]=4 146 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [1,0,0,1,0,0|2,0,0]=4 147 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [1,0,0,1,0,0|2,0,0]=4 149 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [1,0,0,1,0,0|2,0,0]=4 150 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [1,0,0,1,0,0|2,0,0]=4 151 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [1,0,0,1,0,0|2,0,0]=4 152 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [1,0,0,1,0,0|1,0,1]=4 153 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [1,0,0,1,0,0|0,0,0]=2 154 B14R2.10606 N[C@H](C1=CC=C(Br)C=C1)C2CCC2 B54729 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 P55460 [0,1,0,1,0,0|0,0,2]=4 156 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,1,0,1,0,0|0,0,1]=3 157 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [1,0,0,0,0,1|2,0,0]=4 158 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [1,0,0,0,0,1|2,0,0]=4 159 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,0,0,0,0,1|2,0,0]=4 160 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [1,0,0,0,0,1|2,0,0]=4