0 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 17496 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [1,0,0,0,0,0|0,0,2]=3 12 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 10349 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 25323 [0,1,0,0,0,0|1,0,2]=4 36 B13R2.45 CCC1CC2=CC=CC=C2C1=O 5351 [0,0,0,1,0,0|1,0,2]=4 37 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [0,0,0,0,0,1|2,0,1]=4 38 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [0,0,0,0,0,1|2,0,1]=4 39 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [2,0,0,0,0,0|0,0,2]=4 47 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [2,0,0,0,0,0|0,0,2]=4 50 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [2,0,0,0,0,0|0,0,0]=2 54 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [2,0,0,0,0,0|0,0,0]=2 55 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.15 N[C@H](CO)c1ccccc1 6080 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.15 OC[C@H](O)c1ccccc1 7146 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.17 BrCCCC1=CC=CC=C1 3832 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 CCCCC1=CC=CC=C1 13571 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.17 CNCCC1=CC=NC=C1 14195 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.17 NNCCC1=CC=CC=C1 16246 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.17 OCCCC1=CC=CC=C1 15023 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [2,0,0,0,0,0|1,0,0]=3 68 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [1,1,0,0,0,0|0,0,0]=2 69 B12R1.17 CNC[C@H](O)c1cccc(O)c1 23988 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 24609 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.30 CNCCC(O)C1=CC=CC=C1 27334 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 23266 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 23246 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.225 C[C@@H](c1cccc(O)c1)N(C)C 9985 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 15090 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 20905 [1,1,0,0,0,0|0,0,2]=4 79 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 28818 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F 15591 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.2 C1=CC=C(C2CCNC2)C=C1 22374 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.2 C1=CC=C(C2CCNC2)C=C1 30375 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 18577 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.2 C1=CN=CC(C2CCNC2)=C1 16492 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1081 NC1CSCC2=CC=CC=C21 14610 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.1081 OC1CCCC2=C1N=CC=C2 17102 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [1,0,0,1,0,0|0,0,2]=4 102 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [1,0,0,1,0,0|2,0,0]=4 111 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 35959 [0,1,0,1,0,0|0,0,1]=3 112 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 6871 [0,1,0,1,0,0|0,0,1]=3 113 B14R2.14 CO[C@@H]1CNC[C@H]1C2=CC=CC=C2 22370 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.27 CNC(C)CC1=CC=CS1 24793 [1,0,0,0,1,0|1,0,0]=3