0 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O M37956 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M65198 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M67244 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.57 OC[C@@H]1CC2=C(C=CC=C2)CN1 T52935 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T24630 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T52934 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 B61072 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.64 C1=CC=C(C[S+]2CCCC2)C=C1 T8209 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.12 COB(OC)C1=NC=CC=C1 P5060 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,0,0,0,1,0|0,0,0]=1 26 B11R1.12 COC(OC)C1=NC=NC=C1 D14447 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,0,0,0,1,0|2,0,0]=3 28 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [2,0,0,0,0,0|0,0,2]=4 38 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [1,1,0,0,0,0|0,0,2]=4 72 B12R1.12 COC(OC)C1=CC=C(Cl)C=C1 C0943 [0,1,0,0,1,0|0,0,0]=2 73 B12R1.13 COC(OC)C1=CC(N)=NC=C1 A7778 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.13 COC(OC)C1=NC(C)=NC=C1 D46982 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.13 COC(OC)C1=NC(N)=NC=C1 D43757 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.243 COC(OC)C1=NC=CN=C1Cl C14596 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.475 COP(=O)(OC)C1=CC=CC=C1 D46952 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,1,0,0,1,0|2,0,0]=4 80 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [1,0,0,1,0,0|2,0,0]=4 81 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 82 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 83 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [1,0,0,1,0,0|0,0,2]=4 89 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [1,0,0,1,0,0|1,0,0]=3 94 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,0,0,1,1,0|2,0,0]=4 96 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,0,0,1,1,0|2,0,0]=4 97 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,0,0,1,1,0|2,0,0]=4 98 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,0,0,1,1,0|1,0,0]=3 99 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,0,0,1,1,0|2,0,0]=4 100 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 B54854 [0,1,0,1,0,0|1,0,0]=3 101 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,0,0,0,1,0|1,0,1]=4 102 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,0,0,0,1,0|1,0,1]=4 103 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,0,0,0,1,0|2,0,0]=4 104 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,0,0,0,1,0|1,0,0]=3 105 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,0,0,0,1,0|1,0,0]=3 106 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,0,0,0,1,0|1,0,1]=4 107 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.9 COC(OC)C1=NNC=C1 D41434 [0,0,0,0,2,0|2,0,0]=4 116 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,0,0,0,0,1|0,0,2]=4 117 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [1,0,0,0,0,1|0,0,2]=4 118 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,0,0,0,0,1|0,0,2]=4 119 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [1,0,0,0,0,1|2,0,0]=4 120 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [1,0,0,0,0,1|2,0,0]=4 121 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,0,0,0,0,1|2,0,0]=4 122 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [1,0,0,0,0,1|2,0,0]=4 123 B14R1.546 COC(COCC1=CC=CC=C1)OC B54962 [0,0,0,0,0,2|0,0,0]=2