0 B12R1.4 CC(=O)CC1=CC=C(C#N)C=C1 C13033 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 A7494 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 A0738 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.4 CC(C)CC1=CC=C(C=O)C=C1 I3197 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.4 CCC1=CC=C(CC(=N)N)C=C1 E14094 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 E7545 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 M13849 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M4993 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M1760 [0,0,0,0,0,0|0,0,0]=0 9 B12R1.4 CSC1=CC=C(CC(=N)N)C=C1 M13860 [0,0,0,0,0,0|2,1,0]=3 10 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 C8389 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 A1579 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 A1916 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 A3877 [1,0,0,0,0,0|1,1,0]=3 14 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 I17180 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 T13930 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T2230 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 B13672 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 C13729 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.20 N=C(N)CC1=CC=C(I)C=C1 P13840 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 A18166 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 H7775 [1,0,0,0,0,0|2,1,0]=4 23 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A0970 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 B10452 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 F7924 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C11770 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F0757 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 H4994 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.83 C#CC1=CC=C(CCC)C=C1 P11662 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.83 CNCC1=CC=C(OC)C=C1 M12442 [1,0,0,0,0,0|1,0,0]=2 33 B13R1.4 COC1=CC=C(C[Si](C)(C)C)C=C1 M16620 [0,1,0,0,0,0|1,1,0]=3 34 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 M13160 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 B10843 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.35 COC1=C(F)C=C(CC(=N)N)C=C1 F14031 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 A0904 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.35 COC1=CC=C(CC(=O)O)C=C1O H8278 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.36 CC(C(=O)O)C1=CC=C(CBr)C=C1 B1140 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 A13184 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 A15381 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 M12692 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.142 CCOC1=CC=C(CC(=N)N)C=C1 E14095 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 A1274 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 A5433 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.585 CC(=O)OC1=CC=C(C(C)C)C=C1 I8134 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 N8241 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 M5544 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 M12298 [0,0,0,1,0,0|1,0,0]=2 50 B13R2.2121 COC1=CC=C2N=C(Cl)SC2=C1 C12549 [0,0,0,1,0,0|2,1,0]=4 51 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 A0594 [0,0,0,1,0,0|2,1,0]=4 52 B13R2.2121 COC1=CC=C2NC(=O)CC2=C1 M12297 [0,0,0,1,0,0|1,0,0]=2 53 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 M0080 [0,0,0,1,0,0|2,1,0]=4 54 B13R2.2121 N#CC1=CC=C2NC(=O)CC2=C1 C12300 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.2121 O=C1CC2=C(C=CC(CO)=C2)N1 H19144 [0,0,0,1,0,0|3,0,0]=4 56 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A5043 [0,0,0,0,1,0|2,0,0]=3 57 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 E7783 [0,0,0,0,1,0|2,0,0]=3 58 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 E0723 [0,0,0,0,1,0|1,0,0]=2 59 B11R1.3 COC1=CC=C(B(O)O)C=C1 M4030 [0,0,0,0,1,0|2,0,1]=4 60 B11R1.3 COC1=CC=C(C(=N)N)C=C1 N13857 [0,0,0,0,1,0|2,0,0]=3 61 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 M4581 [0,0,0,0,1,0|1,0,0]=2 62 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A11427 [0,0,0,0,1,0|1,0,0]=2 63 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 M1856 [0,0,0,0,1,0|3,0,0]=4 64 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 M13858 [0,0,0,0,1,0|2,1,0]=4 65 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M3891 [0,0,0,0,1,0|1,1,0]=3 66 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M1131 [0,0,0,0,1,0|0,1,0]=2 67 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 N0827 [0,0,0,0,1,0|2,1,0]=4 68 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 C7689 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 C0438 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A0732 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 H11207 [0,0,0,0,1,0|3,0,0]=4 72 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 H11352 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 C4578 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 C0733 [0,0,0,0,1,0|3,0,0]=4 75 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 C0733 [0,0,0,0,1,0|3,0,0]=4 76 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 M0256 [0,0,0,0,0,1|1,0,1]=3 77 B10R1.1 CNCC1=CC=C(F)C=C1 F17963 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.1 N#CCC1=CC=C(O)C=C1 H0435 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.18 CC(=O)NC1=NC=CC=C1 A14929 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.3 C#CC1=CC=C(CC)C=C1 E11661 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.3 C#CC1=CC=C(OC)C=C1 E17047 [2,0,0,0,0,0|0,0,2]=4 90 B10R1.3 C(=O)C1=CN=C(OC)N=C1 M11855 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.3 C=CC1=CC=C(OC)C=C1 M19314 [2,0,0,0,0,0|0,0,1]=3 92 B10R1.3 CCC1=CC=C(C=O)C=C1 E3199 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.3 CCC1=CC=C(CCl)C=C1 E18905 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.3 COC1=CC=C(CN)C=C1 M2969 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.3 COC1=CC=C(NN)C=C1 A2369 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.3 COC1=CC=C(SC)C=C1 M3890 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.3 COC1=NC=C(C=O)C=C1 F11437 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.3 CSC1=CC=C(C=O)C=C1 M0736 [2,0,0,0,0,0|0,1,0]=3 100 B10R1.3 N#CC1=CC=C(C=O)C=C1 C3208 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.3 N#CC1=CC=C(C=O)C=C1 C3208 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.3 O=CC1=CC=C(CBr)C=C1 B16705 [2,0,0,0,0,0|2,0,0]=4 103 B12R1.19 CC(=O)NC1=CC(N)=C(Cl)C=C1 A8391 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.19 CC(=O)NC1=CC=C(C)C(C)=C1 A18038 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.19 CC1=CC=C(CC(=N)N)C=C1C D13642 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.19 NC1=C(Cl)C=CC(CC(=O)O)=C1 A12846 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 B10333 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D9231 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C8542 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.19 O=C(O)CC1=CC=C(F)C(F)=C1 D0997 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 C2432 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 C3480 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 A15457 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 M7642 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 H15811 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 C8423 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 F7800 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 H7018 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A8426 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 F7801 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 B5333 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 M6928 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 F15737 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 M7638 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 A17809 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M7703 [1,1,0,0,0,0|0,0,0]=2 133 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 C9185 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 C8494 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.106 CS(=O)(=O)CC1=CC=C(F)C=C1 F8528 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.233 CC(=O)NC1=C(C)C=C(Cl)C=C1 C8342 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1F B3301 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.233 CC(=O)NC1=CC=C(C)C=C1Br B18488 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.233 CC(=O)NC1=CC=C(F)C=C1Br B3300 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.233 CC1=CC(C)=C(NC(N)=O)C=C1 D7647 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.233 CC1=CC=C(CC(=O)O)C(C)=C1 D7645 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 D7897 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Cl D0915 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 M1173 [1,1,0,0,0,0|0,0,2]=4 145 B12R1.5 COC1=CC=C(C(O)CN)C=C1 A14661 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.71 COC1=CC=C(CCC=O)C=C1 M7640 [1,1,0,0,0,0|0,0,0]=2 147 B12R1.71 COC1=CC=C(CN=C=O)C=C1 M7584 [1,1,0,0,0,0|0,0,1]=3 148 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 P7543 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.116 CCOC1=CC=C(OCC)C=C1 D18862 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 B10133 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.288 COC1=CC=C(CCN)C=C1O H9171 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 B10369 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F7764 [0,1,0,0,1,0|0,0,0]=2 154 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 A7714 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 A5406 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 H1463 [0,1,0,0,1,0|1,0,0]=3 157 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 H1463 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.48 COC1=CC=C(C(=N)N)C=C1Cl C16841 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.48 COC1=CC=C(C(=O)O)C=C1C M19248 [0,1,0,0,1,0|1,0,0]=3 160 B12R1.48 COC1=CC=C(C(=O)O)C=C1F F5225 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.48 COC1=CC=C(C(=O)O)C=C1N A3782 [0,1,0,0,1,0|1,0,0]=3 162 B12R1.48 COC1=CC=C(C(C)=O)C=C1Br B10267 [0,1,0,0,1,0|0,0,0]=2 163 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1F F7856 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O M0051 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A7606 [0,1,0,0,1,0|2,0,0]=4 166 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A7619 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 I7544 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D3965 [0,1,0,0,1,0|1,0,0]=3 170 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 I2846 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 F0241 [0,1,0,0,1,0|0,0,0]=2 172 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 M1212 [0,1,0,0,1,0|1,0,0]=3 173 B12R1.452 COC1=CC(O)=C(C(N)=O)C=C1 H7745 [0,1,0,0,1,0|1,0,0]=3 174 B12R1.452 COC1=CC=C(C(=O)O)C(N)=C1 A12071 [0,1,0,0,1,0|1,0,0]=3 175 B12R1.452 COC1=CC=C(C(=O)O)C(N)=C1 A12071 [0,1,0,0,1,0|1,0,0]=3 176 B12R1.452 COC1=CC=C(C(C)=O)C(N)=C1 A18258 [0,1,0,0,1,0|0,0,0]=2 177 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 M4708 [0,1,0,0,1,0|0,0,0]=2 178 B12R1.452 COC1=CC=C([N+](=O)[O-])C(C)=C1 M11606 [0,1,0,0,1,0|2,0,0]=4 179 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 M16305 [0,1,0,0,0,1|0,0,0]=2 180 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=N1 A1935 [0,1,0,0,0,1|2,0,0]=4 181 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=N1 A1937 [0,1,0,0,0,1|2,0,0]=4 182 B14R1.2 COC1=NC=C(C(N)CC(=O)O)C=C1 A1938 [0,1,0,0,0,1|2,0,0]=4 183 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 M15869 [0,1,0,0,0,1|1,0,1]=4 184 B14R1.3 COC1=CC=C(CC(=O)N(C)C)C=C1 D8738 [0,1,0,0,0,1|2,0,0]=4 185 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M8809 [0,1,0,0,0,1|1,0,0]=3 186 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M5028 [0,1,0,0,0,1|1,0,0]=3 187 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 T10362 [0,1,0,0,0,1|1,0,0]=3 188 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 M9455 [0,1,0,0,0,1|1,0,1]=4 189 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 M8684 [0,1,0,0,0,1|0,0,1]=3 190 B14R1.5 COC1=CC=C(OCC(O)CN)C=C1 A13226 [0,1,0,0,0,1|0,0,2]=4 191 B14R1.103 COC1=CC=C(\C=C\C(=O)O)C(O)=C1 H14839 [0,1,0,0,0,1|1,0,1]=4 192 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F F8842 [0,1,0,0,0,1|1,0,1]=4 193 B14R1.7 COC(=O)C(Br)C1=CC=C(C#N)C=C1 M13323 [0,2,0,0,0,0|2,0,0]=4 194 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 D3338 [0,2,0,0,0,0|1,0,0]=3 195 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 D1300 [0,2,0,0,0,0|0,0,0]=2 196 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC D13776 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.3651 COC1=CC=C(CC(N)=S)C=C1OC D9507 [0,2,0,0,0,0|1,1,0]=4 198 B14R1.8 COC1=CC=C(C(CN)C(=O)O)C=C1 A14511 [0,2,0,0,0,0|1,0,0]=3 199 B14R1.141 CCOC1=CC=C(C(N)C(=O)O)C=C1 A14481 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.6402 CN(C)C1=CC=C(C(N)C(=O)O)C=C1 A13181 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.68 CCCOC1=CC=C(NC(C)=O)C=C1 P8736 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.805 CC(=O)NC1=CC=C(CC(=O)O)C=C1 A2168 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.805 CC(=O)NC1=CC=C(OC(F)F)C=C1 D6064 [0,2,0,0,0,0|1,0,0]=3 204 B14R1.805 CC(=O)NC1=CC=C(OC(F)F)C=C1 D6064 [0,2,0,0,0,0|1,0,0]=3 205 B14R1.806 CC(=O)NC1=CC=C(C(C)(C)C)C=C1 T8655 [0,2,0,0,0,0|2,0,0]=4 206 B14R1.806 CC(C)(C)C1=CC=C(CC(=O)O)C=C1 T8697 [0,2,0,0,0,0|2,0,0]=4 207 B14R1.101 COC1=CC(OC)=C(CC(=O)O)C=C1 D8848 [0,2,0,0,0,0|1,0,0]=3 208 B14R1.101 COC1=CC=C(CC(C)=O)C(OC)=C1 D5851 [0,2,0,0,0,0|0,0,0]=2 209 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M14933 [1,0,0,1,0,0|2,0,0]=4 210 B12R2.606 CC1=CC=C2OC(C)=NC2=C1 D11741 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9528 [1,0,0,1,0,0|2,0,0]=4 212 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C7755 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 H14834 [1,0,0,1,0,0|1,0,0]=3 214 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 B4472 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 B4472 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 F4471 [1,0,0,1,0,0|2,0,0]=4 217 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 F4471 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 F11056 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.606 O=C1CC2=CC=C(O)C=C2N1 H14906 [1,0,0,1,0,0|1,0,0]=3 220 B12R2.44 COC1=CC2=C(C=C1)CCN2 M11887 [1,0,0,1,0,0|1,0,1]=4 221 B12R2.44 COC1=CC2=C(C=C1)CNC2 M19226 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,1]=4 223 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,1]=4 224 B12R2.44 COC1=CC=C2NC=CC2=C1 C0378 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.44 COC1=CC=C2NC=NC2=C1 M17396 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.44 COC1=CC=C2NCCC2=C1 M11881 [1,0,0,1,0,0|1,0,1]=4 227 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 M8065 [0,0,0,1,0,1|0,0,0]=2 228 B14R2.134 COC1=CC2=C(C=C1)CCC(N)C2 A18245 [0,0,0,1,0,1|1,0,1]=4 229 B14R2.134 COC1=CC2=C(C=C1)CCC(N)C2 M6730 [0,0,0,1,0,1|1,0,1]=4 230 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 M17099 [0,0,0,1,0,1|1,0,0]=3 231 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 M8057 [0,0,0,1,0,1|1,0,1]=4 232 B14R2.328 COC1=CC=C(OCC2CO2)C=C1 E8206 [0,0,0,1,0,1|0,0,2]=4 233 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 M8064 [0,1,0,1,0,0|0,0,0]=2 234 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M7952 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.2332 COC1=CC=C2NC(=O)CCC2=C1 M4106 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 M12051 [0,1,0,1,0,0|1,0,1]=4 237 B14R2.1008 N=C(N)CC1=CC=C2OCOC2=C1 B13135 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 B8971 [0,1,0,1,0,0|1,0,0]=3 239 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 B18356 [0,1,0,1,0,0|1,0,0]=3 240 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 C05984 [0,1,0,1,0,0|1,0,1]=4 241 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 C05984 [0,1,0,1,0,0|1,0,1]=4 242 B14R2.6400 CCOC1=CC=C2NC(=O)CC2=C1 E11058 [0,1,0,1,0,0|1,0,0]=3 243 B14R2.601 O=C1CC2=C(C=C([N+](=O)[O-])C=C2)C1 N12955 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,0,0,0,1,0|1,0,0]=3 245 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,0,0,0,1,0|1,0,0]=3 246 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B11426 [1,0,0,0,1,0|2,0,0]=4 247 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,1,0|1,0,1]=4 248 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,0,0,0,1,0|1,0,1]=4 249 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M13863 [1,0,0,0,1,0|2,0,0]=4 250 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 M18854 [1,0,0,0,1,0|1,0,0]=3 251 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,0,0,0,1,0|2,0,0]=4 252 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,0,0,0,1,0|2,0,0]=4 253 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [1,0,0,0,1,0|1,0,1]=4 254 B10R1.13 N=C(N)C1=CC=C(O)C=C1 C7930 [1,0,0,0,1,0|2,0,0]=4 255 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H13795 [1,0,0,0,1,0|2,0,0]=4 256 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C18869 [1,0,0,0,1,0|2,0,0]=4 257 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A0176 [1,0,0,0,1,0|2,0,0]=4 258 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [1,0,0,0,1,0|2,0,0]=4 259 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [1,0,0,0,1,0|2,0,0]=4 260 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A19387 [1,0,0,0,1,0|2,0,0]=4 261 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 B2712 [1,0,0,0,1,0|2,0,0]=4 262 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 C18851 [1,0,0,0,1,0|2,0,0]=4 263 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 F7471 [1,0,0,0,1,0|2,0,0]=4 264 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 B0745 [1,0,0,0,1,0|2,0,0]=4 265 B10R1.13 O=C(O)C1=CC=C(F)C=C1 F0172 [1,0,0,0,1,0|2,0,0]=4 266 B10R1.13 O=C(O)C1=CC=C(I)C=C1 I4019 [1,0,0,0,1,0|2,0,0]=4 267 B10R1.13 O=C(O)C1=CC=C(O)C=N1 H14882 [1,0,0,0,1,0|2,0,0]=4 268 B10R1.13 O=C(O)C1=CC=C(O)N=C1 H5358 [1,0,0,0,1,0|2,0,0]=4 269 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [1,0,0,0,1,0|1,1,0]=4 270 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [1,0,0,0,1,0|1,1,0]=4 271 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 S7517 [1,0,0,0,1,0|2,0,0]=4 272 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [1,0,0,0,0,1|0,0,0]=2 273 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [1,0,0,0,0,1|1,0,0]=3 274 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [1,0,0,0,0,1|1,0,1]=4 275 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [1,0,0,0,0,1|2,0,0]=4 276 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [1,0,0,0,0,1|2,0,0]=4 277 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H9102 [1,0,0,0,0,1|2,0,0]=4 278 B12R1.21 C[C@@H](N)CCC1=CC=C(O)C=C1 A15452 [1,0,0,0,0,1|1,0,1]=4 279 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 A17898 [1,0,0,0,0,1|2,0,0]=4 280 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [1,0,0,0,0,1|2,0,0]=4 281 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [1,0,0,0,0,1|2,0,0]=4 282 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [1,0,0,0,0,1|2,0,0]=4 283 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [1,0,0,0,0,1|1,0,0]=3 284 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 B1089 [1,0,0,0,0,1|2,0,0]=4 285 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 F5239 [1,0,0,0,0,1|2,0,0]=4 286 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 I0062 [1,0,0,0,0,1|2,0,0]=4 287 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 C13273 [1,0,0,0,0,1|2,0,0]=4 288 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [1,0,0,0,0,1|1,0,1]=4 289 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 M13859 [0,0,0,0,1,1|2,0,0]=4 290 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M0114 [0,0,0,0,1,1|1,0,0]=3 291 B12R1.438 CSC1=CC=CC(NC(C)=O)=C1 A3896 [0,0,0,0,1,1|1,1,0]=4 292 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M8773 [0,0,0,0,0,2|1,0,0]=3