0 B11R1.3 C(=O)C1=CN=C(C(C)C)N=C1 I12565 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A5043 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 E0723 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 CCC1=CN=C(C(C)O)C=C1 P6695 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D0969 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M1131 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 F11598 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.3 BrCC1=CC=C(CBr)C=C1 B4169 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.3 C#CC1=CC=C(CC)C=C1 E11661 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.3 C#CC1=CC=C(OC)C=C1 E17047 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 C(=O)C1=CN=C(OC)N=C1 M11855 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.3 C=CC1=CC=C(OC)C=C1 M19314 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.3 CCC1=CC=C(C=O)C=C1 E3199 [1,0,0,0,0,0|0,0,0]=1 13 B10R1.3 CCC1=CC=C(CCl)C=C1 E18905 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.3 COC1=CC=C(NN)C=C1 A2369 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.3 COC1=CC=C(SC)C=C1 M3890 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.3 COC1=NC=C(C=O)C=C1 F11437 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.3 CSC1=CC=C(C=O)C=C1 M0736 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.3 ClCC1=CC=C(CCl)C=C1 C2229 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.3 N#CC1=CC=C(C=O)C=C1 C3208 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.3 N#CC1=CC=C(C=O)C=C1 C3208 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.3 N#CC1=CC=C(CBr)C=C1 B2426 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.3 N#CC1=CC=C(CCl)C=C1 C1086 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.3 N#CC1=CC=C(CN)C=C1 C3849 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.3 NCC1=CC=C(CBr)C=C1 B18450 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 NCC1=CC=C(CBr)C=C1 B9018 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.3 NCC1=CC=C(CO)C=C1 A18188 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.3 O=CC1=CC=C(CBr)C=C1 B16705 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.3 OCC1=CC=C(CBr)C=C1 B9072 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.3 SCC1=CC=C(CS)C=C1 B3882 [1,0,0,0,0,0|1,1,1]=4 32 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.13 CC(C)C1=CC=C(S)C=C1 I0763 [1,0,0,0,0,0|0,1,0]=2 35 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 C1062 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.13 CC(O)C1=NC=C(Br)C=C1 B13828 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.13 CN(C)C1=CC=C(Br)C=C1 B5435 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.13 CN(C)C1=CC=C(N)C=N1 D17190 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 D12728 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B5986 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.13 FC(F)C1=CC=C(Br)C=C1 B9306 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M18866 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.5 COC1=CC=C(C(O)CN)C=C1 A14661 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.6 C(=O)C1=CC=C(C(F)(F)F)C=C1 T5027 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B1233 [0,1,0,0,0,0|1,0,1]=3 49 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B1233 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 B3198 [0,1,0,0,0,0|0,0,0]=1 51 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 T10179 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 T8310 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 T7599 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.6 CC(C)(C)C1=CC=C(CS)C=C1 B0466 [0,1,0,0,0,0|0,1,1]=3 55 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 B11351 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 T9061 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 M8367 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.48 C(=O)C1=C(O)C=C(N(C)C)C=C1 D0901 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.113 CN(C)C1=CC=C(N=C=O)C=C1 D7540 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.113 CN(C)C1=CC=C(N=C=S)C=C1 D8147 [0,1,0,0,0,0|1,1,1]=4 61 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A7606 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 I7544 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D3965 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 I4022 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 I2846 [0,1,0,0,0,0|0,0,0]=1 68 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 D3966 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.256 CN(C)C1=CC=C(C(=N)N)C=C1 D13618 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.256 CN(C)C1=CC=C(C(=N)N)C=C1 D16851 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 C13744 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.256 N=C([NH3+])C1=CC=C(C(=O)O)C=C1 A12772 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 B18369 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.256 NC(=O)C1=CC=C(C(=O)O)C=C1 C18849 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.256 NC(=O)C1=CC=C(C(N)=O)C=C1 T0163 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 N7699 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.256 O=C(Cl)C1=CC=C(B(O)O)C=C1 B18371 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 N12623 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 C0516 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 P18850 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 N8554 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 H7739 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 A0738 [0,0,0,0,0,1|1,0,1]=3 84 B12R1.4 CC(C)CC1=CC=C(C=O)C=C1 I3197 [0,0,0,0,0,1|0,0,0]=1 85 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 D7900 [0,0,0,0,0,1|2,0,0]=3 86 B9R1.1 BrCC1=CC=C(Br)C=C1 B12509 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 C#CC1=CC=C(C)C=C1 E11660 [2,0,0,0,0,0|1,0,1]=4 88 B9R1.1 C(=O)C1=CC=C(C)C=C1 M0262 [2,0,0,0,0,0|0,0,0]=2 89 B9R1.1 C(=O)C1=CC=C(F)C=C1 F5017 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.1 C(=O)C1=CC=C(O)C=C1 H0254 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.1 C(=O)C1=CN=C(C)N=C1 M12474 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.1 C(=O)C1=CN=C(C)N=C1 P12475 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.1 C=CC1=CC=C(Br)C=C1 B8315 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 CC1=CC=C(C#N)C=C1 T0293 [2,0,0,0,0,0|1,0,1]=4 95 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [2,0,0,0,0,0|1,0,1]=4 96 B9R1.1 CC1=CC=C(CN)C=C1 M4305 [2,0,0,0,0,0|1,0,1]=4 97 B9R1.1 CC1=CC=C(NN)C=C1 M0766 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 CC1=CC=C(NN)C=C1 M0766 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 CCC1=CC=C(Br)C=C1 B8398 [2,0,0,0,0,0|1,0,0]=3 100 B9R1.1 CNC1=CC=C(Br)C=C1 B8439 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.1 CNC1=CC=C(N)C=C1 M8801 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 COC1=CC=C(F)C=C1 F0756 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 COC1=CC=C(O)C=C1 M0306 [2,0,0,0,0,0|1,0,1]=4 104 B9R1.1 COC1=CC=C(O)C=C1 M0306 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.1 COC1=CC=C(S)C=C1 M0764 [2,0,0,0,0,0|1,1,0]=4 106 B9R1.1 CSC1=CC=C(C)C=C1 M3899 [2,0,0,0,0,0|1,0,1]=4 107 B9R1.1 CSC1=CC=C(F)C=C1 F3886 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.1 ClC1=CC=C(CBr)C=C1 C9247 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.1 ClCC1=CC=C(Br)C=C1 B4168 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 FC1=CC=C(CBr)C=C1 F8550 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.1 FC1=CC=C(CCl)C=C1 F5018 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.1 FC1=CC=C(CS)C=C1 F3880 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.1 NCC1=CC=C(Br)C=C1 B9996 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [2,0,0,0,0,0|1,0,1]=4 115 B9R1.1 NCC1=CC=C(O)C=C1 H4008 [2,0,0,0,0,0|1,0,1]=4 116 B9R1.1 NCC1=CC=C(O)C=C1 H9189 [2,0,0,0,0,0|1,0,1]=4 117 B9R1.1 NCC1=CNC(=O)C=C1 A18120 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.1 O=C1C=CC(CO)=CN1 H11547 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 O=CC1=CC=C(Br)C=C1 B8396 [2,0,0,0,0,0|1,0,0]=3 120 B9R1.1 O=CC1=CC=C(Cl)N=C1 C12510 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 O=CC1=NC=C(Br)C=C1 B13826 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.1 O=CC1=NC=C(F)C=C1 F17485 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 OCC1=CC=C(Br)C=C1 B4308 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.1 OCC1=CC=C(F)C=C1 F11143 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.1 SCC1=CC=C(Br)C=C1 B9153 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [2,0,0,0,0,0|1,0,0]=3 129 B11R1.83 C#CC1=CC=C(CCC)C=C1 P11662 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.83 CCOC1=CC=C(C#N)C=C1 E2970 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.83 CNCC1=CC=C(OC)C=C1 M12442 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.279 C(=O)C1=CC=C(OC)C(Br)=C1 B5334 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.279 C(=O)C1=CC=C(OC)C(F)=C1 F2671 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.279 COC1=C(O)C=C(C=O)C=C1 H0858 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.279 COC1=CC(O)=C(C=O)C=C1 H5014 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.279 COC1=CC=C(C=O)C(N)=C1 A19262 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B3471 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 B1468 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 B1468 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 T7730 [1,1,0,0,0,0|0,1,0]=3 141 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 B9633 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.166 C[S+](C)C1=CC=C(O)C=C1O D9301 [1,1,0,0,0,0|1,0,1]=4 146 B13R1.4 C(=O)C1=CC=C(OC(F)(F)F)C=C1 T2582 [0,1,0,0,0,1|2,0,0]=4 147 B13R1.4 O=CC1=CC=C(SC(F)(F)F)C=C1 T9270 [0,1,0,0,0,1|2,0,0]=4 148 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 A5433 [0,1,0,0,0,1|1,0,1]=4 149 B13R1.585 CC(C)CC1=CC=C(C(=O)O)C=C1 I8133 [0,1,0,0,0,1|0,0,0]=2 150 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 D8508 [0,1,0,0,0,1|2,0,0]=4 151 B13R1.187 CCC(C)(C)C1=CC=C(CCl)C=C1 C8879 [0,2,0,0,0,0|1,0,1]=4 152 B13R1.452 CN(CCCl)C1=CC=C(C=O)C=C1 M1404 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.452 CN(CCO)C1=CC=C(C=O)C=C1 M8179 [0,2,0,0,0,0|1,0,0]=3 154 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 D8181 [0,2,0,0,0,0|1,0,0]=3 155 B13R1.537 CN(C)C1=CC=C(\C(N)=N/O)C=C1 D13619 [0,2,0,0,0,0|1,0,1]=4 156 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=C1 M8198 [0,2,0,0,0,0|1,0,1]=4 157 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 B10773 [0,2,0,0,0,0|1,0,1]=4 158 B13R1.38 O=CC1=CC=C(C(F)(F)F)C=C1F F8671 [0,2,0,0,0,0|2,0,0]=4 159 B13R1.96 O=CC1=CC(F)=C(C(F)(F)F)C=C1 F8673 [0,2,0,0,0,0|2,0,0]=4 160 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 T7957 [0,2,0,0,0,0|1,0,1]=4 161 B13R1.140 CC(C)(C)C1=CC=C(CCN)C=C1 T8108 [0,2,0,0,0,0|1,0,1]=4 162 B13R1.140 CC(C)(C)C1=CC=C(N=C=S)C=C1 T8658 [0,2,0,0,0,0|0,1,1]=4 163 B13R1.140 [C-]#[N+]CC1=CC=C(C(C)(C)C)C=C1 T7958 [0,2,0,0,0,0|1,0,1]=4 164 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 T0326 [0,2,0,0,0,0|2,0,0]=4 165 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 M1132 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 B5383 [0,2,0,0,0,0|1,0,1]=4 167 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 T13691 [0,2,0,0,0,0|1,0,0]=3 168 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 T16008 [0,2,0,0,0,0|1,0,0]=3 169 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 T8750 [0,2,0,0,0,0|0,1,0]=3 170 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 M0625 [0,2,0,0,0,0|2,0,0]=4 171 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 M0625 [0,2,0,0,0,0|2,0,0]=4 172 B13R1.338 C[C@@H](N)C1=CC=C(C(C)(C)C)C=C1 B11530 [0,2,0,0,0,0|1,0,1]=4 173 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 B11529 [0,2,0,0,0,0|1,0,1]=4 174 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 T8562 [0,2,0,0,0,0|2,0,0]=4 175 B13R1.338 O=C(Cl)C1=CC=C(C(F)(F)F)C=C1 T4281 [0,2,0,0,0,0|2,0,0]=4 176 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 T0327 [0,2,0,0,0,0|2,0,0]=4 177 B11R2.34 ClC1=CC=C([C@H]2CO2)C=C1 C19012 [1,0,0,1,0,0|2,0,0]=4 178 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 A19241 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [1,0,0,0,1,0|2,0,0]=4 180 B9R1.21 C(=O)C1=CC=C(CO)O1 H11229 [1,0,0,0,1,0|2,0,0]=4 181 B9R1.21 CCC1=NC(C=O)=CN1 E12808 [1,0,0,0,1,0|2,0,0]=4 182 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [1,0,0,0,0,1|1,0,0]=3