0 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 CC(C)C1=CC=C(Br)C=C1 XJ1042 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(C)C1=CC=C(N)C=N1 YH00023 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 YH07736 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.13 CC(C)C1=NNC(=O)C=C1 YH66263 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 CC(N)C1=CC=C(Br)C=C1 YH48936 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 CC(N)C1=NC=C(F)C=C1 SY0015 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY0255 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 CC1=CC=C(B(O)O)C=N1 RT6584 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.13 CC1=CC=C(C(C)C)C=C1 XJ5623 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [0,0,0,0,0,0|0,0,0]=0 23 B10R1.13 CC1=CC=C(C(C)O)C=N1 RT2394 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.13 CC1=CC=C(N(C)C)C=C1 YH99046 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.13 CC1=CN=C(B(O)O)C=C1 YH57645 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 CC1=NC=C(C(C)N)C=N1 RT2400 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 JZ1051 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 CN(C)C1=CC=C(Br)C=C1 LT2750 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 CN(C)C1=CC=C(N)C=C1 HL1305 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.13 CN(C)C1=CC=C(N)C=C1 LL0967 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 CN(C)C1=CC=C(N)C=C1 LQ4413 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.13 CN(C)C1=CC=C(N)C=C1 XJ3077 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 LQ5152 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 YH17516 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 XJ4897 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=C1 LT3445 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HL2287 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.13 N=C(N)C1=CC=C(N)C=C1 JZ3229 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.13 N=C(N)C1=CC=C(O)C=C1 LT2008 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.13 N=C(N)C1=CC=C(O)C=C1 YH36971 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [0,0,0,0,0,0|2,1,1]=4 54 B10R1.13 NC1=CC=C(B(O)O)C=C1 SY0280 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 NC1=CC=C(B(O)O)C=N1 CJ2602 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 LT3105 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.13 NC1=CC=C([As](Cl)Cl)C=C1 RT3259 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 JZ0055 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 XJ0449 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 JZ1126 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 JZ4692 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [0,0,0,0,0,0|2,0,1]=3 69 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [0,0,0,0,0,0|2,0,1]=3 71 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [0,0,0,0,0,0|2,0,1]=3 73 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HL1435 [0,0,0,0,0,0|2,0,2]=4 79 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 JZ4192 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 RT13188 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 LT0072 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 RT11294 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 LT3458 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 RT12985 [0,0,0,0,0,0|3,0,1]=4 85 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CJ2455 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 LQ1888 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.13 OB(O)C1=CC=C(F)C=C1 XJ1901 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.13 OB(O)C1=CC=C(O)C=C1 XJ6238 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.13 OB(O)C1=CN=C(Br)C=C1 YH47439 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.13 OB(O)C1=CN=C(F)C=C1 LL2843 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.1 BrCC1=CC=C(Br)C=C1 YH08714 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 BrCC1=CC=C(I)C=C1 XJ4204 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 C#CC1=CC=C(Br)C=C1 HL0382 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.1 C#CC1=CC=C(C)C=C1 HL0383 [1,0,0,0,0,0|0,0,2]=3 95 B9R1.1 C#CC1=CC=C(Cl)C=C1 SY0319 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.1 C#CC1=CC=C(F)C=C1 HL0384 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.1 C#CC1=CC=C(N)C=C1 XJ4023 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.1 C#CC1=CC=C(O)C=C1 YH65749 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.1 C(=O)C1=CC=C(Br)C=C1 HL0659 [1,0,0,0,0,0|1,0,2]=4 100 B9R1.1 C(=O)C1=CC=C(Cl)C=C1 XJ0297 [1,0,0,0,0,0|1,0,2]=4 101 B9R1.1 C(=O)C1=CC=C(F)C=C1 RT10834 [1,0,0,0,0,0|1,0,2]=4 102 B9R1.1 C=CC1=CC=C(Br)C=C1 XJ2035 [1,0,0,0,0,0|1,0,2]=4 103 B9R1.1 C=CC1=CC=C(C)C=C1 XJ1131 [1,0,0,0,0,0|0,0,2]=3 104 B9R1.1 C=CC1=CC=C(Cl)C=C1 JZ4358 [1,0,0,0,0,0|1,0,2]=4 105 B9R1.1 C=CC1=CC=C(F)C=C1 LQ0811 [1,0,0,0,0,0|1,0,2]=4 106 B9R1.1 C=CC1=CC=C(N)C=C1 LQ1825 [1,0,0,0,0,0|1,0,2]=4 107 B9R1.1 C=CC1=CN=C(C)C=C1 XJ0560 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.1 C=CC1=NC=C(C)C=C1 YH58615 [1,0,0,0,0,0|1,0,2]=4 109 B9R1.1 CC1=CC=C(C#N)C=C1 XJ0295 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.1 CC1=CC=C(C=O)C=C1 XJ0296 [1,0,0,0,0,0|0,0,2]=3 111 B9R1.1 CC1=CC=C(C=O)C=N1 YH05496 [1,0,0,0,0,0|1,0,2]=4 112 B9R1.1 CC1=CC=C(CBr)C=C1 XJ0291 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.1 CC1=CC=C(CN)C=C1 XJ0294 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.1 CC1=CC=C(CN)C=N1 RT4381 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 CC1=CC=C(CO)C=C1 HL0057 [1,0,0,0,0,0|0,0,0]=1 116 B9R1.1 CC1=CC=C(NN)C=C1 JZ4047 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 CC1=CC=C(NN)C=C1 XJ0909 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 CC1=CN=C(C#N)C=C1 XJ1868 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 CC1=CN=C(C=O)C=C1 HL2821 [1,0,0,0,0,0|1,0,2]=4 120 B9R1.1 CC1=NC=C(C#N)C=C1 JZ2269 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 CC1=NC=C(CCl)C=C1 RT12579 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 CC1=NC=C(CCl)C=N1 YH30353 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 CC1=NC=C(CO)C=N1 YH47516 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 CC1=NC=C(NN)C=C1 YH93974 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 CCC1=CC=C(Br)C=C1 LT0068 [1,0,0,0,0,0|1,0,0]=2 126 B9R1.1 CCC1=CC=C(Cl)C=C1 XJ1132 [1,0,0,0,0,0|1,0,0]=2 127 B9R1.1 CCC1=CC=C(I)C=C1 JZ5676 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.1 CCC1=CC=C(O)C=C1 LQ4557 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.1 CCC1=CC=[N+]([O-])C=C1 RT11871 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.1 CCC1=CN=C(C)C=C1 YH20573 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.1 CCC1=CN=C(Cl)N=C1 LL1896 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 CCC1=CNC(=O)C=C1 YH05768 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.1 CNC1=CC=C(N)C=C1 LT5160 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.1 CNC1=CC=C(O)C=C1 LT7433 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.1 CNC1=NC=C(Cl)C=C1 RT2598 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 COC1=CC=C(Br)C=C1 YH22845 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.1 COC1=CC=C(Br)C=N1 LT3369 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 COC1=CC=C(C)N=C1 LX2638 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.1 COC1=CC=C(F)C=C1 RT11598 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 COC1=CC=C(F)C=N1 YH04458 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 COC1=CC=C(N)C=C1 YH22851 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.1 COC1=CC=C(N)C=N1 LT3597 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 COC1=CC=C(N)N=C1 XJ3542 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 COC1=CC=C(O)C=C1 LQ0608 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 COC1=CC=[N+]([O-])C=C1 RT6739 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 COC1=CN=C(Cl)C=C1 HL3515 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 COC1=NC=C(C)N=C1 LT2163 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 COC1=NC=C(I)C=C1 YH32542 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 COC1=NC=C(O)C=C1 YH04854 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 CSC1=CC=C(C)C=C1 XJ1135 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.1 CSC1=CC=C(F)C=C1 XJ0702 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.1 CSC1=CN=C(N)C=C1 RT4644 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 CSC1=NC=C(C)N=C1 LT2312 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 ClC1=CC=C(CBr)C=C1 XJ1130 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 XJ1431 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.1 ClC1=NC=C(CBr)C=C1 YH41777 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 ClCC1=CC=C(Br)C=C1 HL0056 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 ClCC1=CC=C(Cl)C=C1 XJ0293 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.1 ClCC1=CN=C(Cl)C=C1 LT3696 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.1 ClCC1=NC=C(Br)C=C1 YH66212 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 FC1=CC=C(CBr)C=C1 RT11193 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.1 FC1=CC=C(CCl)C=C1 LL0673 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 FC1=CC=C(CS)C=C1 JZ5068 [1,0,0,0,0,0|1,1,0]=3 164 B9R1.1 FC1=CC=C([Mg]Br)C=C1 LL0674 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.1 N#CC1=CC=C(Br)C=C1 LT6101 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 N#CC1=CC=C(Br)C=C1 XJ1133 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.1 N#CC1=CC=C(F)C=C1 LT3074 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.1 N#CC1=CC=C(I)C=C1 HL2444 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.1 N#CC1=CC=C(N)C=C1 RT3702 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.1 N#CC1=CC=C(O)C=C1 LT2823 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 N#[N+]C1=CC=C(F)C=C1 RT6271 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 NC1=CC=C(C=O)C=C1 LQ1002 [1,0,0,0,0,0|1,0,2]=4 173 B9R1.1 NC1=CC=C(CO)C=N1 YH25373 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.1 NC1=CC=C(CO)N=C1 YH91412 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.1 NCC1=CC=C(Br)C=C1 YH59044 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.1 NCC1=CC=C(Cl)C=C1 LT2948 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.1 NCC1=CC=C(F)C=C1 RT1536 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.1 NCC1=CC=C(I)C=C1 LT1523 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 NCC1=CC=C(N)C=C1 JZ2534 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.1 NCC1=CC=C(O)C=C1 LQ1367 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.1 NCC1=CN=C(Cl)C=C1 HL4996 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 NNC1=CC=C(Br)C=C1 HL0058 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 NNC1=CC=C(Br)C=C1 XJ1129 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.1 NNC1=CC=C(Cl)C=C1 JZ4359 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.1 NNC1=CC=C(Cl)C=C1 JZ4360 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.1 NNC1=CC=C(F)C=C1 LQ1485 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 O=CC1=CC=C(I)C=C1 XJ4171 [1,0,0,0,0,0|1,0,2]=4 188 B9R1.1 O=CC1=CC=C(O)C=C1 RT12842 [1,0,0,0,0,0|1,0,2]=4 189 B9R1.1 O=CC1=CC=C(S)C=C1 RT11108 [1,0,0,0,0,0|1,0,2]=4 190 B9R1.1 O=NC1=CC=C(O)C=C1 RT11953 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.1 OC1=CC=C(CBr)C=C1 CJ3032 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.1 OCC1=CC=C(Br)C=C1 XJ1430 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.1 OCC1=CC=C(Cl)C=C1 JZ0815 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.1 OCC1=CC=C(Cl)N=C1 LT1692 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.1 OCC1=CC=C(F)N=C1 YH59200 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.1 OCC1=CC=C(I)C=C1 XJ4412 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.1 OCC1=CC=C(O)C=C1 JZ0347 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.1 OCC1=CN=C(Cl)C=N1 YH15941 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 OCC1=CN=C(O)C=C1 YH24285 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.1 OCC1=NC=C(Br)C=C1 XJ6558 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.1 ONC1=CC=C(Cl)C=C1 YH88188 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.1 [C-]#[N+]C1=CC=C(Br)C=C1 LQ4762 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [1,0,0,0,0,0|1,0,1]=3 204 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [1,0,0,0,0,0|0,0,2]=3 205 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [1,0,0,0,0,0|1,0,2]=4 206 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [1,0,0,0,0,0|1,0,2]=4 207 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [1,0,0,0,0,0|1,0,0]=2 208 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [1,0,0,0,0,0|1,0,0]=2 210 B9R1.6 CC(O)C1=CN=CN=C1 RT9947 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [1,0,0,0,0,0|1,0,0]=2 216 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [1,0,0,0,0,0|1,0,0]=2 218 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [1,0,0,0,0,0|1,0,0]=2 219 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [1,0,0,0,0,0|0,1,1]=3 220 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.6 ClP(Cl)C1=CC=CC=C1 JZ4097 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 YH96399 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [1,0,0,0,0,0|1,0,2]=4 225 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [1,0,0,0,0,0|1,0,2]=4 226 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [1,0,0,0,0,0|1,1,1]=4 227 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [1,0,0,0,0,0|1,0,2]=4 232 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [1,0,0,0,0,0|1,0,2]=4 233 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [1,0,0,0,0,0|1,0,2]=4 234 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [1,0,0,0,0,0|1,0,2]=4 235 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [1,0,0,0,0,0|1,0,2]=4 236 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [1,0,0,0,0,0|1,0,2]=4 237 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [1,0,0,0,0,0|2,0,1]=4 240 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.6 OB(O)C1=CC=CC=N1 LL2565 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.6 OB(O)C1=CC=CN=C1 LQ1914 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.6 OB(O)C1=CC=NC=C1 CJ2813 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [1,0,0,0,0,0|1,0,1]=3 246 B9R1.6 [SiH](Cl)(Cl)C1=CC=CC=C1 HL0912 [1,0,0,0,0,0|2,1,0]=4 247 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 YH23236 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 YH40649 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.3 C(=O)C1=CC=C(C(=O)O)C=C1 JZ3943 [0,1,0,0,0,0|1,0,2]=4 250 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 JZ4383 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.3 CC(C)C1=CC=C(CO)C=C1 LL0970 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.3 CC(C)C1=CC=C(NN)C=C1 LL1986 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 LT3069 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 JZ3941 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 HL1247 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 XJ0531 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 LQ3466 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 HL1250 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.3 COC1=CC=C(B(O)O)C=C1 JZ0684 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.3 COC1=CC=C(B(O)O)C=C1 LQ5149 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.3 COC1=CC=C(C(=N)N)C=C1 RT1606 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 JZ0666 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.3 COC1=CC=C(C(=O)O)C=C1 JZ4549 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.3 COC1=CC=C(C(=O)O)N=C1 RT6533 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.3 COC1=CC=C(C(C)=O)C=C1 JZ1135 [0,1,0,0,0,0|0,0,2]=3 266 B11R1.3 COC1=CC=C(C(N)=O)C=C1 HL2560 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.3 COC1=CC=C(N(C)C)C=C1 YH14709 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 JZ5490 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.3 COC1=NC=C(B(O)O)C=C1 LL2373 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.3 COC1=NC=C(C(=O)O)C=C1 JZ0752 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.3 CSC1=CC=C(B(O)O)C=C1 LL1731 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 LT3084 [0,1,0,0,0,0|1,0,1]=3 273 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 XJ1918 [0,1,0,0,0,0|0,0,2]=3 274 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 CJ3499 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 LQ5498 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 JZ3942 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 LQ0055 [0,1,0,0,0,0|1,0,1]=3 278 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CJ2943 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 JZ0800 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 HL0470 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 RT10589 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HL4991 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 XJ2357 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 LL1609 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 LT2901 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 JZ0439 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 LT6151 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 XJ6121 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.3 OCC1=CC=C(B(O)O)C=C1 LQ5464 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 JZ2422 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 LT3700 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 YH40959 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 YH45396 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 LT7261 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 HL2904 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 LL0357 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 RT4375 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 RT8618 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 XJ3061 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 YH22643 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 XJ1294 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 XJ6642 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 YH08874 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 YH65358 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 YH65582 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.19 CC1=CC=C(S(=O)([O-])=S)C=C1 LQ4605 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 JZ2240 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.19 CC1=NC=C(S(=O)(=O)O)C=C1 YH03032 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 XJ0246 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 HL1799 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 LQ2928 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 JZ4918 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.19 ClC1=CC=C(C(Cl)(Cl)Cl)C=C1 LQ2847 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 LQ0777 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.19 FC(F)(F)C1=CC=C(Cl)C=C1 RT12162 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.19 FC(F)(F)C1=CC=C(S)C=C1 JZ4195 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.19 FC1=CC=C(C(F)(F)F)C=C1 LQ0778 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 RT3275 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.19 NC1=CC=C(P(=O)(O)O)C=C1 YH05728 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 JZ0129 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 XJ0242 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.19 O=S(=O)(O)C1=CC=C(Cl)C=C1 XJ0251 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.19 O=S(=O)(O)C1=CC=C(O)C=C1 XJ0252 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 LQ0779 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.21 CC(=O)C1=CC(Br)=C(Br)C=C1 LX3134 [0,1,0,0,0,0|1,0,2]=4 326 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 YH06604 [0,1,0,0,0,0|1,0,2]=4 327 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 HL0596 [0,1,0,0,0,0|1,0,2]=4 328 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 JZ2152 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 XJ0695 [0,1,0,0,0,0|1,0,2]=4 330 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 LQ0788 [0,1,0,0,0,0|1,0,2]=4 331 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 LX2782 [0,1,0,0,0,0|1,0,2]=4 332 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 JZ4491 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.21 CC(=O)C1=CC=C(Br)C(F)=C1 LX2244 [0,1,0,0,0,0|1,0,2]=4 334 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 LL0209 [0,1,0,0,0,0|0,0,2]=3 335 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 JZ2110 [0,1,0,0,0,0|1,0,2]=4 336 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 LQ3334 [0,1,0,0,0,0|1,0,1]=3 337 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 LQ1233 [0,1,0,0,0,0|1,0,1]=3 338 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 JZ3720 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 LT6782 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 XJ1742 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 LL2170 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 LQ0789 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 LL1505 [0,1,0,0,0,0|1,0,1]=3 344 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 XJ2209 [0,1,0,0,0,0|1,0,1]=3 345 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 LT2618 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 LT2606 [0,1,0,0,0,0|1,0,1]=3 347 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 JZ0089 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.21 CC1=CC=C(B(O)O)C=C1C LT1839 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.21 CC1=CC=C(C(=O)Cl)C=C1I YH65834 [0,1,0,0,0,0|1,0,2]=4 350 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl LQ2823 [0,1,0,0,0,0|1,0,1]=3 351 B11R1.21 CC1=CC=C(C(N)=O)C=C1N LT3129 [0,1,0,0,0,0|1,0,2]=4 352 B11R1.21 CC1=CC=C(C(N)=S)C=C1F LL2430 [0,1,0,0,0,0|1,1,1]=4 353 B11R1.21 CC1=CC=C(N(=O)=O)C=C1Br LT1666 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 LT2770 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 LQ1234 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 LQ2164 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 JZ0161 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br YH11091 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl YH49312 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.21 NC1=CC=C(C(=O)O)C=C1F RT1599 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 HL1019 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 LQ0791 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 LQ5082 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 YH55532 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=C1 LQ5083 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 LT6724 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 LQ0790 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 LQ5176 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 LQ0734 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 LT6644 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.21 OB(O)C1=CC(Cl)=C(Cl)C=C1 LT1825 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 CJ2235 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.22 C(=O)C(C)C1=CC=C(Cl)C=C1 YH58118 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [0,1,0,0,0,0|0,0,2]=3 375 B11R1.22 CC1=CC=C(C(C)C=O)C=C1 HL1295 [0,1,0,0,0,0|0,0,1]=2 376 B11R1.22 CC1=CC=C(C(O)CN)C=C1 RT1609 [0,1,0,0,0,0|0,0,0]=1 377 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 HL2147 [0,1,0,0,0,0|0,0,1]=2 378 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [0,1,0,0,0,0|1,0,2]=4 379 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [0,1,0,0,0,0|1,0,2]=4 380 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [0,1,0,0,0,0|1,0,2]=4 382 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [0,1,0,0,0,0|1,0,2]=4 383 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [0,1,0,0,0,0|1,0,2]=4 384 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [0,1,0,0,0,0|1,0,2]=4 385 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [0,1,0,0,0,0|1,0,2]=4 386 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [0,1,0,0,0,0|1,0,2]=4 387 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [0,1,0,0,0,0|1,0,2]=4 388 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [0,1,0,0,0,0|1,0,2]=4 389 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 RT10568 [0,1,0,0,0,0|1,0,1]=3 390 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 YH56190 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 RT1562 [0,1,0,0,0,0|1,0,2]=4 392 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [0,1,0,0,0,0|1,0,2]=4 393 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [0,1,0,0,0,0|1,0,2]=4 394 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [0,1,0,0,0,0|1,0,2]=4 395 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [0,1,0,0,0,0|1,0,2]=4 396 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [0,1,0,0,0,0|1,0,2]=4 397 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [0,1,0,0,0,0|1,0,2]=4 398 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [0,1,0,0,0,0|1,0,2]=4 399 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 LT2239 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 HL1296 [0,1,0,0,0,0|1,0,2]=4 401 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [0,1,0,0,0,0|1,0,2]=4 402 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 RT10679 [0,1,0,0,0,0|1,0,2]=4 403 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 HL1817 [0,1,0,0,0,0|1,0,2]=4 404 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 YH11049 [0,1,0,0,0,0|1,0,2]=4 405 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 HL0592 [0,1,0,0,0,0|1,0,2]=4 406 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 LX2629 [0,1,0,0,0,0|1,0,2]=4 407 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 YH65890 [0,1,0,0,0,0|1,0,2]=4 408 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 YH65861 [0,1,0,0,0,0|1,0,2]=4 409 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 LL0744 [0,1,0,0,0,0|1,0,2]=4 410 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 HL0874 [0,1,0,0,0,0|1,0,2]=4 411 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Br LX2251 [0,1,0,0,0,0|1,0,2]=4 412 B11R1.166 CC(=O)C1=CC=C(C)C=C1O YH14255 [0,1,0,0,0,0|0,0,2]=3 413 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br YH88248 [0,1,0,0,0,0|1,0,2]=4 414 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1F LL2461 [0,1,0,0,0,0|1,0,2]=4 415 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br YH10272 [0,1,0,0,0,0|1,0,2]=4 416 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl XJ6151 [0,1,0,0,0,0|1,0,2]=4 417 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl YH00402 [0,1,0,0,0,0|1,0,2]=4 418 B11R1.166 CC(=O)C1=CC=C(O)C=C1F YH98787 [0,1,0,0,0,0|1,0,2]=4 419 B11R1.166 CC(=O)C1=CC=C(O)C=C1O RT11977 [0,1,0,0,0,0|1,0,2]=4 420 B11R1.166 CC1=C(B(O)O)C=CC(F)=C1 LL2171 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 LQ3335 [0,1,0,0,0,0|1,0,1]=3 422 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 LX2050 [0,1,0,0,0,0|1,0,1]=3 423 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 YH58663 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O YH17041 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 XJ0766 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.166 CC1=CC(N)=CC=C1C(C)C HL2774 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 YH13201 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.166 CC1=CC(O)=C(C(N)=O)C=C1 LT2462 [0,1,0,0,0,0|1,0,2]=4 429 B11R1.166 CC1=CC(O)=CC=C1B(O)O LL2867 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 YH18052 [0,1,0,0,0,0|1,0,1]=3 431 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [0,1,0,0,0,0|1,0,1]=3 432 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 LT0244 [0,1,0,0,0,0|1,0,2]=4 433 B11R1.166 C[C@@H](N)C1=CC=C(Br)C=C1F YH89064 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1O RT3352 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 YH45406 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 LT0240 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 XJ2208 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 XJ0046 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.166 NC1=CC=C(C(=O)O)C(F)=C1 LX3182 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 XJ1113 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 RT11949 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 HL1032 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 YH07341 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 RT12288 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 XJ0764 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 LT2788 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O HL0984 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br YH51932 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.166 O=C(O)C1=CC=C(I)C=C1F LL2023 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl RT11083 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.166 O=C(O)C1=CC=C(S)C=C1Br RT13176 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 CJ2522 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 LT0124 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl CJ2498 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.166 OB(O)C1=CC=C(Cl)C=C1F HL3648 [0,1,0,0,0,0|3,0,0]=4 460 B9R0.1 C=C\C(C)=C\CC=C(C)C RT1294 [0,0,1,0,0,0|1,0,2]=4 461 B9R0.1 C\C=C(C)\C=C\C=C(C)C RT1305 [0,0,1,0,0,0|1,0,2]=4 462 B11R2.34 ClC1=CC=C(C2CO2)C=C1 RT7256 [0,0,0,1,0,0|1,0,0]=2 463 B11R2.34 OC1=CC=C(C2CO2)C=C1 RT7953 [0,0,0,1,0,0|1,0,0]=2 464 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [0,0,0,0,1,0|1,0,2]=4 465 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [0,0,0,0,1,0|1,0,2]=4 466 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [0,0,0,0,1,0|1,0,2]=4 467 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,0,0,0,1,0|2,0,1]=4 468 B9R1.35 CC1=CNC(C(=O)O)=C1 YH42507 [0,0,0,0,1,0|2,0,1]=4 469 B9R1.35 CC1=CSC(C(=O)O)=C1 XJ4050 [0,0,0,0,1,0|2,0,1]=4 470 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 JZ2786 [0,0,0,0,0,1|1,0,2]=4 471 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 HL1838 [0,0,0,0,0,1|1,0,2]=4 472 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 YH18094 [0,0,0,0,0,1|1,0,2]=4 473 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 LL0348 [0,0,0,0,0,1|1,0,2]=4 474 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 XJ0481 [0,0,0,0,0,1|1,0,2]=4 475 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 RT12770 [0,0,0,0,0,1|1,0,2]=4 476 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 HL0695 [0,0,0,0,0,1|1,0,2]=4 477 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 XJ0551 [0,0,0,0,0,1|0,0,2]=3 478 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 YH54366 [0,0,0,0,0,1|1,0,2]=4 479 B11R1.20 CC(=O)SC1=CC=C(I)C=C1 YH14509 [0,0,0,0,0,1|1,0,2]=4 480 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 LX2745 [0,0,0,0,0,1|2,0,0]=3 481 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 HL0415 [0,0,0,0,0,1|2,0,0]=3 482 B11R1.20 CC(C)OC1=CC=C(N)C=C1 LQ3314 [0,0,0,0,0,1|2,0,0]=3 483 B11R1.20 CC(N)CC1=CC=C(F)C=C1 HL1836 [0,0,0,0,0,1|2,0,0]=3 484 B11R1.20 CC(N)CC1=CC=C(F)C=C1 LL1086 [0,0,0,0,0,1|2,0,0]=3 485 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JZ4004 [0,0,0,0,0,1|1,0,2]=4 486 B11R1.20 CC1=CC=C(OC(=S)Cl)C=C1 JZ4309 [0,0,0,0,0,1|1,1,1]=4 487 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 LT3063 [0,0,0,0,0,1|2,0,1]=4 488 B11R1.20 NC1=CC=C(OC(F)F)C=C1 XJ4644 [0,0,0,0,0,1|3,0,0]=4 489 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 LQ1955 [0,0,0,0,0,1|2,0,1]=4 490 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 LT3076 [0,0,0,0,0,1|2,0,1]=4 491 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 RT12785 [0,0,0,0,0,1|2,0,1]=4 492 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 493 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,2]=4 498 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,0]=3 499 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,0]=3 500 B8R1.2 CNC1=CC=CN=C1 LT2493 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.2 COC1=CC=CN=C1 LT6817 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|2,0,0]=4 505 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 506 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 507 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 508 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 509 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 510 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 511 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|1,0,1]=4 512 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|1,0,1]=4 513 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|1,0,0]=3 514 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|2,0,0]=4 515 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|2,0,0]=4 516 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|2,0,0]=4 517 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|2,0,0]=4 518 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|2,0,0]=4 519 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|2,0,0]=4 520 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|1,0,1]=4 521 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|1,0,1]=4 522 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|0,0,0]=2 523 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|1,0,0]=3 524 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|1,0,0]=3 525 B8R1.2 OCC1=CN=CN=C1 LX3222 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.2 OCC1=NC=CN=C1 YH13049 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.2 OCC1=NC=NC=C1 YH55246 [2,0,0,0,0,0|2,0,0]=4 528 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|1,0,0]=3 529 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|0,1,0]=3 530 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 531 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 532 B8R1.3 BrC1=CC=C(Br)C=C1 LT0052 [2,0,0,0,0,0|2,0,0]=4 533 B8R1.3 BrC1=CC=C(I)C=C1 HL0068 [2,0,0,0,0,0|2,0,0]=4 534 B8R1.3 CC1=CC=C(C)N=C1 JZ0986 [2,0,0,0,0,0|1,0,0]=3 535 B8R1.3 CC1=CC=C(Cl)C=C1 HL1310 [2,0,0,0,0,0|1,0,0]=3 536 B8R1.3 CC1=CC=C(F)C=C1 LL0677 [2,0,0,0,0,0|1,0,0]=3 537 B8R1.3 CC1=CC=C(F)C=N1 LQ4679 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.3 CC1=CC=C(I)C=C1 XJ1165 [2,0,0,0,0,0|1,0,0]=3 539 B8R1.3 CC1=CC=C(N)C=C1 RT11917 [2,0,0,0,0,0|1,0,0]=3 540 B8R1.3 CC1=CC=C(N)C=C1 XJ0919 [2,0,0,0,0,0|1,0,0]=3 541 B8R1.3 CC1=CC=C(N)C=C1 XJ0920 [2,0,0,0,0,0|1,0,0]=3 542 B8R1.3 CC1=CC=C(O)C=N1 HL0641 [2,0,0,0,0,0|1,0,0]=3 543 B8R1.3 CC1=CC=C([Hg+])C=C1 RT11940 [2,0,0,0,0,0|1,0,0]=3 544 B8R1.3 CC1=CC=[N+]([O-])C=C1 HL0579 [2,0,0,0,0,0|1,0,1]=4 545 B8R1.3 CC1=CN=C(C)C=N1 JZ0984 [2,0,0,0,0,0|2,0,0]=4 546 B8R1.3 CC1=CN=C(Cl)C=C1 YH41921 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.3 CC1=CN=C(F)C=C1 LQ2150 [2,0,0,0,0,0|2,0,0]=4 548 B8R1.3 CC1=CN=C(N)C=C1 RT2045 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.3 CC1=CN=C(O)C=C1 LT3568 [2,0,0,0,0,0|1,0,0]=3 550 B8R1.3 CC1=NC=C(Br)C=C1 JZ0784 [2,0,0,0,0,0|2,0,0]=4 551 B8R1.3 CC1=NC=C(I)C=C1 YH65880 [2,0,0,0,0,0|2,0,0]=4 552 B8R1.3 CC1=NC=C(N)C=C1 JZ1162 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.3 CC1=NC=C(O)C=C1 YH65665 [2,0,0,0,0,0|1,0,0]=3 554 B8R1.3 CC1=NC=C(O)C=N1 RT8630 [2,0,0,0,0,0|2,0,0]=4 555 B8R1.3 CN1C=CC(=O)C=C1 RT6737 [2,0,0,0,0,0|1,0,1]=4 556 B8R1.3 ClC1=CC=C(Br)C=C1 XJ0365 [2,0,0,0,0,0|2,0,0]=4 557 B8R1.3 ClC1=CC=C(I)C=C1 JZ4051 [2,0,0,0,0,0|2,0,0]=4 558 B8R1.3 FC1=CC=C(Br)C=C1 LT0069 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.3 FC1=CC=C(Cl)C=C1 LL0678 [2,0,0,0,0,0|2,0,0]=4 560 B8R1.3 FC1=CC=C(I)C=C1 SY0222 [2,0,0,0,0,0|2,0,0]=4 561 B8R1.3 IC1=CC=C(I)C=C1 SY0265 [2,0,0,0,0,0|2,0,0]=4 562 B8R1.3 NC1=CC=C(Br)C=C1 HL1307 [2,0,0,0,0,0|2,0,0]=4 563 B8R1.3 NC1=CC=C(F)C=C1 RT2771 [2,0,0,0,0,0|2,0,0]=4 564 B8R1.3 NC1=CC=C(I)C=C1 XJ0921 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.3 NC1=CC=C(N)C=C1 LQ5353 [2,0,0,0,0,0|2,0,0]=4 566 B8R1.3 NC1=CC=C(N)C=C1 LT7264 [2,0,0,0,0,0|2,0,0]=4 567 B8R1.3 NC1=CC=C(N)C=C1 RT13509 [2,0,0,0,0,0|2,0,0]=4 568 B8R1.3 NC1=CC=C(O)C=C1 RT3071 [2,0,0,0,0,0|1,0,0]=3 569 B8R1.3 NC1=CC=C(O)C=N1 YH07059 [2,0,0,0,0,0|2,0,0]=4 570 B8R1.3 NC1=CC=C(S)C=C1 JZ4463 [2,0,0,0,0,0|1,1,0]=4 571 B8R1.3 NC1=CN=C(O)C=C1 LT3510 [2,0,0,0,0,0|2,0,0]=4 572 B8R1.3 NC1=CN=C(O)C=C1 YH26818 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.3 NC1=CN=C(O)C=C1 YH55281 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.3 O=C1C=CC(=O)C=C1 HL1314 [2,0,0,0,0,0|1,0,1]=4 575 B8R1.3 OC1=CC=C(Br)C=C1 HL1308 [2,0,0,0,0,0|1,0,0]=3 576 B8R1.3 OC1=CC=C(Br)C=N1 YH32505 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.3 OC1=CC=C(I)C=C1 LT6103 [2,0,0,0,0,0|1,0,0]=3 578 B8R1.3 OC1=CC=C(I)C=C1 XJ0922 [2,0,0,0,0,0|1,0,0]=3 579 B8R1.3 OC1=CC=C(I)N=C1 RT14095 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.3 OC1=CC=C(O)C=C1 JZ0106 [2,0,0,0,0,0|1,0,0]=3 581 B8R1.3 OC1=CN=C(Br)C=C1 RT15425 [2,0,0,0,0,0|2,0,0]=4 582 B8R1.3 OC1=CN=C(Cl)C=C1 LX2869 [2,0,0,0,0,0|2,0,0]=4 583 B8R1.3 OC1=CN=C(F)C=C1 LQ5323 [2,0,0,0,0,0|2,0,0]=4 584 B8R1.3 OC1=NC=C(Cl)C=C1 HL2729 [2,0,0,0,0,0|2,0,0]=4 585 B8R1.3 OC1=NC=C(F)C=C1 YH04459 [2,0,0,0,0,0|2,0,0]=4 586 B8R1.3 OC1=NC=C(I)C=C1 LT3565 [2,0,0,0,0,0|2,0,0]=4 587 B8R1.3 SC1=CC=C(Br)C=C1 HL1316 [2,0,0,0,0,0|1,1,0]=4 588 B8R1.3 [15NH2]C1=CC=C([15NH2])C=C1 RT3027 [2,0,0,0,0,0|2,0,0]=4 589 B10R0.44 C=C\C(C)=C\C(=O)C=C(C)C RT0549 [0,1,1,0,0,0|1,0,1]=4 590 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [1,1,0,0,0,0|0,0,1]=3 591 B10R1.1 CC1=CC=C(CC#N)C=N1 RT12580 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|0,0,0]=2 593 B10R1.1 CC1=CC=C(N=C=O)C=C1 LT3140 [1,1,0,0,0,0|0,0,2]=4 594 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,1,0,0,0,0|0,0,0]=2 597 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.1 CCOC1=CC=C(Br)C=N1 LQ5337 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.1 CCOC1=CN=C(Cl)C=C1 LX1903 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.1 CCOC1=NC=C(C)N=C1 LT2161 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.1 CCOC1=NC=C(N)C=C1 YH04966 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.1 CNCC1=CC=C(Cl)N=C1 RT2410 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.1 O\N=C\C1=CC=C(F)C=C1 YH02278 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.3 BrCC1=CC=C(CBr)C=C1 XJ1138 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.3 C#CC1=CC=C(CO)C=C1 YH23238 [1,1,0,0,0,0|0,0,1]=3 628 B10R1.3 C#CC1=CC=C(OC)C=C1 HL0395 [1,1,0,0,0,0|0,0,2]=4 629 B10R1.3 C(=O)C1=CC=C(OC)C=C1 JZ1237 [1,1,0,0,0,0|0,0,2]=4 630 B10R1.3 C=CC1=CC=C(CCl)C=C1 XJ1818 [1,1,0,0,0,0|0,0,2]=4 631 B10R1.3 C=CC1=CC=C(CO)C=C1 YH23867 [1,1,0,0,0,0|0,0,1]=3 632 B10R1.3 C=CC1=CC=C(OC)C=C1 JZ4048 [1,1,0,0,0,0|0,0,2]=4 633 B10R1.3 CCC1=CC=C(C#N)C=C1 JZ5677 [1,1,0,0,0,0|0,0,1]=3 634 B10R1.3 CCC1=CC=C(CC)C=C1 XJ0304 [1,1,0,0,0,0|0,0,0]=2 635 B10R1.3 CCC1=CC=C(NN)C=C1 LQ5282 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.3 CNC1=CC=C(NC)C=C1 RT3267 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.3 CNC1=CC=C(OC)C=C1 LQ2977 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.3 COC1=CC=C(C#N)C=C1 LT2837 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.3 COC1=CC=C(CCl)C=C1 JZ4193 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.3 COC1=CC=C(CN)C=C1 LT3064 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.3 COC1=CC=C(CS)C=C1 LX2163 [1,1,0,0,0,0|0,1,0]=3 642 B10R1.3 COC1=CC=C(NN)C=C1 LL1277 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.3 COC1=CC=C(NN)C=C1 XJ4526 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.3 COC1=CC=C(OC)C=C1 LT7890 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.3 COC1=CC=C(SC)C=C1 LQ1964 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.3 COC1=CC=C([Mg]Br)C=C1 LQ3616 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.3 ClCC1=CN=C(CCl)C=C1 RT12749 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.3 N#CC1=CC=C(CBr)C=C1 LT6906 [1,1,0,0,0,0|1,0,1]=4 649 B10R1.3 N#CC1=CC=C(CBr)C=C1 XJ4361 [1,1,0,0,0,0|1,0,1]=4 650 B10R1.3 N#CC1=CC=C(CCl)C=C1 XJ1447 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.3 N#CC1=CC=C(CN)C=C1 XJ4200 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.3 N#CC1=NC=C(CO)C=C1 YH08521 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.3 NCC1=CC=C(CO)C=C1 YH55734 [1,1,0,0,0,0|0,0,0]=2 654 B10R1.3 O=CC1=CC=C(CO)C=C1 YH04958 [1,1,0,0,0,0|0,0,1]=3 655 B10R1.3 OCC1=CC=C(CCl)C=C1 YH38510 [1,1,0,0,0,0|0,0,0]=2 656 B10R1.3 SCC1=CC=C(CS)C=C1 XJ0306 [1,1,0,0,0,0|0,1,0]=3 657 B10R1.25 CC1=C(CN)C=CC(Br)=C1 YH57929 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 JZ4185 [1,1,0,0,0,0|0,0,2]=4 659 B10R1.25 CC1=CC(C)=C(C=O)C=C1 JZ5009 [1,1,0,0,0,0|0,0,2]=4 660 B10R1.25 CC1=CC(C)=C(CCl)C=C1 JZ4186 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.25 CC1=CC(C)=C(NN)C=C1 XJ5904 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 YH46254 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 HL4914 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 CC1=CC(F)=C(C#N)C=C1 HL4738 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.25 CC1=CC(O)=C(C=O)C=C1 LQ1383 [1,1,0,0,0,0|0,0,2]=4 666 B10R1.25 CC1=CC=C(C#N)C(N)=C1 JZ5711 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.25 CC1=CC=C(C=O)C(Cl)=C1 XJ5566 [1,1,0,0,0,0|0,0,2]=4 668 B10R1.25 CC1=CC=C(C=O)C(F)=C1 HL3526 [1,1,0,0,0,0|0,0,2]=4 669 B10R1.25 CC1=CC=C(CBr)C(F)=C1 LL1994 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 YH47820 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 CC1=CN=C(CCl)C(C)=C1 RT9256 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 CC1=CN=C(CO)C(C)=C1 RT9696 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.25 CCC1=CC=C(O)C=C1O LQ2338 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.25 CCC1=NC=C(C)N=C1C LT2166 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 CCC1=NC=C(C)N=C1C XJ5736 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 CNC1=CC=C(C)C=C1C RT10900 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 XJ5918 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 COC1=C(Br)C=C(N)C=C1 YH19588 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 COC1=C(C)C=C(F)C=C1 LQ0747 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 COC1=C(Cl)C=C(F)C=C1 HL2164 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 COC1=C(Cl)C=C(N)C=C1 LT2912 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.25 COC1=C(F)C=C(F)C=C1 XJ0790 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.25 COC1=C(F)C=C(N)C=C1 LL0749 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.25 COC1=C(N)C=C(F)C=C1 JZ1845 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.25 COC1=C(O)C=C(Br)C=C1 JZ1166 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.25 COC1=CC=C(C)C=C1F LQ0748 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.25 COC1=CC=C(C)C=C1O JZ4479 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.25 COC1=CC=C(Cl)C=C1I YH05404 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.25 COC1=CC=C(N)C=C1N LT0111 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.25 COC1=CC=C(O)C=C1O JZ2877 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 ClC1=CC(Br)=CC=C1CBr RT11106 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.25 ClC1=CC=C(CBr)C(Cl)=C1 JZ5384 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 LT1665 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 FC1=CC(Cl)=CC=C1CCl YH91438 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 FC1=CC=C(CBr)C(F)=C1 XJ4765 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 NC1=CC(F)=CC=C1CBr YH53941 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.25 NCC1=C(F)C=C(F)C=C1 YH65888 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.25 NCC1=CC=C(Br)C=C1F XJ6857 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.25 NCC1=CC=C(Cl)C=C1Cl LQ0256 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 NCC1=CC=C(F)C=C1Cl XJ4185 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 XJ1917 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 HL3864 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.25 OCC1=C(F)C=C(Br)C=C1 HL3773 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 YH07390 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.176 CC1=C(C)C=C(CCl)C=C1 LQ0361 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.176 CC1=C(C)C=C(CN)C=C1 LQ0363 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.176 CC1=C(C)C=C(CO)C=C1 XJ3179 [1,1,0,0,0,0|0,0,0]=2 708 B10R1.176 CC1=C(Cl)C=C(C#N)C=C1 YH46253 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 LL1194 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.176 CC1=C(F)C=C(C#N)C=C1 LT2790 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.176 CC1=C(F)C=CC(CN)=C1 LL2726 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.176 CC1=C(I)C=C(C=O)C=C1 YH08545 [1,1,0,0,0,0|0,0,2]=4 713 B10R1.176 CC1=C(N)C=C(C#N)C=C1 XJ5929 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.176 CC1=CC(CO)=CN=C1C RT9410 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.176 CC1=CC=C(CCl)C=C1Cl XJ2275 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.176 CC1=CC=C(NN)C=C1C JZ4793 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.176 CC1=NC(CO)=CC=C1O SY0017 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.176 CCC1=CC=C(O)C(O)=C1 HL0678 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.176 CNC1=CC=C(C)C(C)=C1 RT10968 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.176 COC1=CC(Br)=C(N)C=C1 LX2826 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.176 COC1=CC(C)=C(Br)C=C1 LT2382 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.176 COC1=CC(Cl)=C(C)C=C1 XJ5702 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.176 COC1=CC(F)=C(C)C=C1 LQ0806 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.176 COC1=CC(F)=C(O)C=C1 YH65479 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.176 COC1=CC(O)=C(Br)C=C1 YH11385 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.176 COC1=CC=C(Br)C(Br)=C1 YH65860 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.176 COC1=CC=C(Br)C(F)=C1 HL1834 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.176 COC1=CC=C(Cl)C(C)=C1 XJ3845 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.176 COC1=CC=C(Cl)C(N)=C1 JZ1995 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.176 COC1=CC=C(F)C(N)=C1 LX2519 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.176 COC1=CC=C(F)C(O)=C1 YH66401 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.176 COC1=CC=C(I)C(N)=C1 YH36677 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.176 COC1=CC=C(N)C(I)=C1 YH43064 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.176 CSC1=CC(Cl)=C(Cl)C=C1 LT2372 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 LQ0362 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.176 FC1=C(F)C=C(CCl)C=C1 LQ1387 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.176 FC1=CC(CCl)=CC=C1Cl LX2731 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.176 FC1=CC=C(CBr)C=C1F HL4748 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 NCC1=CC=C(F)C(Br)=C1 HL4638 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.176 NCC1=CC=C(F)C(Cl)=C1 YH15671 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.176 OCC1=CC(Cl)=C(Cl)N=C1 LT3493 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.176 OCC1=CC=C(Cl)C(Cl)=C1 XJ1957 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.176 OCC1=CC=C(F)C(F)=C1 HL4752 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [1,1,0,0,0,0|0,0,1]=3 746 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,1,0,0,0,0|0,0,2]=4 747 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|0,0,1]=3 748 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,1,0,0,0,0|0,0,2]=4 753 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [1,1,0,0,0,0|0,0,1]=3 754 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,1,0,0,0,0|0,0,2]=4 755 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,1,0,0,0,0|0,0,2]=4 757 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,1,0,0,0,0|0,0,2]=4 758 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,1,0,0,0,0|0,0,2]=4 759 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,1,0,0,0,0|0,0,0]=2 761 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,1,0,0,0,0|0,0,0]=2 762 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,1,0,0,0,0|0,0,0]=2 763 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.28 CC(C)(C)C1=CC=CC=C1 XJ0222 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.28 CC(C)(N)C1=CC=CC=C1 XJ1030 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.28 CC(C)(N)C1=CN=CC=C1 YH99047 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.28 CC(C)(O)C1=CC=CC=C1 LQ1212 [1,1,0,0,0,0|0,0,0]=2 768 B10R1.28 CC(C)(S)C1=CC=CC=C1 YH38274 [1,1,0,0,0,0|0,1,0]=3 769 B10R1.28 CP(=O)(Cl)C1=CC=CC=C1 XJ2994 [1,1,0,0,0,0|1,0,1]=4 770 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 LQ2383 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HL2720 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 HL0392 [1,1,0,0,0,0|1,1,0]=4 773 B10R1.28 C[Si](C)(O)C1=CC=CC=C1 JZ2662 [1,1,0,0,0,0|0,1,0]=3 774 B10R1.28 C[Si](C)([O-])C1=CC=CC=C1 LQ3287 [1,1,0,0,0,0|0,1,1]=4 775 B10R1.28 FC(F)(F)C1=CC=CC=C1 YH98647 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 RT13210 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 XJ0221 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [1,1,0,0,0,0|1,0,1]=4 779 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [1,1,0,0,0,0|0,0,2]=4 780 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [1,1,0,0,0,0|0,0,2]=4 781 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [1,1,0,0,0,0|0,0,2]=4 782 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [1,1,0,0,0,0|0,0,2]=4 783 B10R1.61 CC(C)C1=C(Br)C=CC=C1 XJ3244 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.61 CC(C)C1=C(N)C=CC=C1 JZ4085 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.61 CC(C)C1=C(O)C=CC=C1 LL0172 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.61 CC(N)C1=CC=CC=C1O YH66634 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.61 CC(N)C1=NC=CC=C1N RT2322 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [1,1,0,0,0,0|0,0,0]=2 789 B10R1.61 CC1=C(C(=O)O)C=CC=C1 LQ0494 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 LT3220 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.61 CC1=CC=CC=C1B(O)O LT6617 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.61 CN(C)C1=CC=CC=C1Cl LQ1380 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.61 C[C@@H](N)C1=CC=CC=C1O YH29387 [1,1,0,0,0,0|1,0,0]=3 795 B10R1.61 C[C@@H](N)C1=NC=CC=C1F RT1757 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.61 C[C@H](N)C1=NC=CC=C1F RT1756 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.61 NC1=C(C(=O)O)C=CC=C1 LT0272 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.61 NC1=CC=CC=C1B(O)O LT0279 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 LQ0495 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.61 O=C(O)C1=C(I)C=CC=C1 LT6566 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.61 O=C(O)C1=C(O)C=CC=C1 RT10607 [1,1,0,0,0,0|1,0,1]=4 802 B10R1.61 O=C(O)C1=CC=CC=C1Br LL0169 [1,1,0,0,0,0|1,0,1]=4 803 B10R1.61 O=C(O)C1=CC=CC=C1S LQ3223 [1,1,0,0,0,0|1,0,1]=4 804 B10R1.61 O=C(O)C1=CC=CC=C1[O-] LQ0966 [1,1,0,0,0,0|1,0,1]=4 805 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 LT1715 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.61 OB(O)C1=C(F)C=CC=C1 XJ1970 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [1,1,0,0,0,0|0,0,2]=4 809 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [1,1,0,0,0,0|0,0,2]=4 810 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [1,1,0,0,0,0|0,0,2]=4 811 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [1,1,0,0,0,0|0,0,2]=4 812 B10R1.113 CC(C)C1=CC(Br)=CC=C1 HL2984 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.113 CC(C)C1=CC(O)=CC=C1 RT10578 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.113 CC(C)C1=CC=CC(N)=C1 XJ2891 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.113 CC(C)C1=CC=CC(N)=N1 YH18705 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.113 CC(C)C1=NC(Cl)=CC=C1 YH27840 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 RT2925 [1,1,0,0,0,0|1,0,0]=3 818 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 JZ3057 [1,1,0,0,0,0|0,0,0]=2 819 B10R1.113 CC(O)C1=CC=CC(N)=C1 XJ2202 [1,1,0,0,0,0|0,0,0]=2 820 B10R1.113 CC1=CC(N(C)C)=CC=C1 LL0511 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.113 CC1=CC=CC(B(O)O)=C1 LT6827 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [1,1,0,0,0,0|1,0,1]=4 823 B10R1.113 CC1=CC=CC(C(Cl)Cl)=C1 LT3221 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.113 NC1=CC=CC(B(O)O)=C1 LT2552 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [1,1,0,0,0,0|1,0,1]=4 830 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [1,1,0,0,0,0|1,0,1]=4 831 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 SY0269 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.113 OB(O)C1=CC(F)=CC=C1 LT2898 [1,1,0,0,0,0|2,0,0]=4 833 B12R1.4 C=CC1=CC=C(CC(C)C)C=C1 RT11097 [0,1,0,0,0,1|1,0,1]=4 834 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 CJ3037 [0,1,0,0,0,1|0,0,2]=4 835 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 LQ4143 [0,1,0,0,0,1|1,0,1]=4 836 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 LT2917 [0,1,0,0,0,1|1,0,1]=4 837 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 LL0352 [0,1,0,0,0,1|1,0,1]=4 838 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 LT2838 [0,1,0,0,0,1|0,0,2]=4 839 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 RT11360 [0,1,0,0,0,1|0,0,2]=4 840 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 XJ4261 [0,1,0,0,0,1|1,0,1]=4 841 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 YH27802 [0,1,0,0,0,1|1,0,1]=4 842 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 XJ3973 [0,1,0,0,0,1|1,0,1]=4 843 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 HL4494 [0,1,0,0,0,1|1,0,1]=4 844 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 YH65724 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 LT5084 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.20 CC1=CC=C(C(=O)C(C)Cl)C=C1 YH47530 [0,1,0,0,0,1|1,0,0]=3 847 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 LX2120 [0,1,0,0,0,1|1,0,1]=4 848 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 LQ4697 [0,1,0,0,0,1|1,0,1]=4 849 B12R1.49 CC1=CC=C(CC(C)C=O)C=C1 XJ5434 [0,1,0,0,0,1|0,0,1]=3 850 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 LT7646 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.106 CC(C)(C)OC1=CC=C(Cl)C=C1 LQ4159 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.233 CC(=O)NC1=CC=C(C)C=C1Br HL0195 [0,1,0,0,0,1|0,0,2]=4 853 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 LL0515 [0,2,0,0,0,0|0,0,2]=4 854 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 LT5149 [0,2,0,0,0,0|0,0,2]=4 855 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 LT5150 [0,2,0,0,0,0|0,0,2]=4 856 B12R1.5 COC(=O)C1=CC=C(CO)C=C1 JZ3023 [0,2,0,0,0,0|0,0,2]=4 857 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 LT3323 [0,2,0,0,0,0|0,0,2]=4 858 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 LQ5042 [0,2,0,0,0,0|0,0,2]=4 859 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 JZ1151 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 LT3792 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 LT5866 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 LQ0782 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.6 CSC1=CC=C(C(C)(C)C)C=C1 LT3699 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.6 FC(F)(F)C1=CC=C(CBr)C=C1 LQ0781 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.6 NCC1=CC=C(C(F)(F)F)C=C1 XJ2451 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 LT2891 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 YH04521 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.48 CCC1=C(O)C=C(C(=O)O)C=C1 YH20502 [0,2,0,0,0,0|1,0,1]=4 869 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 HL1289 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 LL2281 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 LQ0792 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 LT2590 [0,2,0,0,0,0|0,0,2]=4 873 B12R1.48 COC1=C(I)C=C(C(=O)O)C=C1 XJ6188 [0,2,0,0,0,0|1,0,1]=4 874 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 LT2602 [0,2,0,0,0,0|1,0,1]=4 875 B12R1.48 COC1=CC=C(C(=O)O)C=C1N LQ2287 [0,2,0,0,0,0|1,0,1]=4 876 B12R1.113 CC(C)C1=CC=C(N=C=O)C=C1 LT2998 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 XJ2170 [0,2,0,0,0,0|1,0,1]=4 878 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 JZ2162 [0,2,0,0,0,0|0,0,2]=4 879 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 LT3141 [0,2,0,0,0,0|0,0,2]=4 880 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 LT2809 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 JZ3946 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 YH65109 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 XJ1047 [0,2,0,0,0,0|1,0,1]=4 884 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 JZ1131 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.256 CC(Br)C1=CC=C(C(=O)O)C=C1 XJ6874 [0,2,0,0,0,0|1,0,1]=4 886 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 LT3176 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 XJ4255 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 LL0971 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 YH51960 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.256 C[C@@H](N)C1=CC=C(N(C)C)C=C1 LX2301 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 RT1728 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 XJ5797 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 LX3156 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.256 C[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 HL4961 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.256 ClC(Cl)C1=CC=C(C(Cl)Cl)C=C1 JZ3119 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.452 COC1=CC(C)=C(B(O)O)C=C1 HL3869 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 LL2350 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 XJ0664 [0,2,0,0,0,0|1,0,1]=4 899 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 LQ2654 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=C1 JZ5478 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 LT2144 [0,2,0,0,0,0|0,0,2]=4 902 B12R1.9 CC1=CC=C(S(=O)(=O)CI)C=C1 SY0109 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 XJ0119 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 LQ4642 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.23 CC(C)(C)C1=CC(Br)=C(O)C=C1 YH46900 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.23 CC(C)(C)C1=CC(N)=C(O)C=C1 JZ0163 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.23 CC(C)(C)C1=CC(O)=C(O)C=C1 XJ0234 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.23 CC1=C(C)C=C(C(C)(C)C)C=C1 JZ3115 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.23 CC1=CC(C(C)(C)C)=CC=C1S LQ3853 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.23 CC1=CC=C(C(C)(C)C)C=C1S LQ3274 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.23 CC1=CC=C(C(F)(F)F)C=C1N XJ4814 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.23 CC1=CC=C(S(C)(=O)=O)C=C1Cl LX3236 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.126 CC(C)(C)C1=CC=C(N)C=C1Br YH11498 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.126 CC(C)(C)C1=CC=C(N)C=C1Br YH22011 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.126 CC(C)(O)C1=CC=C(F)C=C1F RT12571 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 LT3394 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.232 CC(=O)C1=CC(Br)=C(C)C=C1N YH66329 [0,2,0,0,0,0|0,0,2]=4 918 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O RT18760 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C LQ0965 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F LL1805 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I LX2614 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1Cl LL0205 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 HL4891 [0,2,0,0,0,0|0,0,2]=4 924 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 RT3244 [0,2,0,0,0,0|0,0,2]=4 925 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 YH56650 [0,2,0,0,0,0|0,0,2]=4 926 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=C1 XJ6779 [0,2,0,0,0,0|0,0,2]=4 927 B12R1.367 COC(=O)C1=CC=C(C)C(N)=C1 YH65012 [0,2,0,0,0,0|0,0,2]=4 928 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 LT7649 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 YH04566 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 HL3185 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 YH55551 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 LX2603 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 LX2787 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.1005 CC(C)C1=CC(Br)=C(N)C(Br)=C1 LQ3471 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br LL1199 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1N CJ2120 [0,2,0,0,0,0|1,0,1]=4 937 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O LT6673 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.12 CCN(CC)C1=CC=C(C)C=C1 HL0164 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,2,0,0,0,0|0,0,2]=4 940 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 RT17651 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 JZ3824 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 LT4056 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 RT4716 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 LX2785 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 YH47867 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 YH91859 [0,2,0,0,0,0|0,0,2]=4 947 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 LQ2726 [0,2,0,0,0,0|0,0,2]=4 948 B12R1.1703 N[C@@H](CO)C1=CC=C(F)C=C1O RT12086 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.1703 O[C@@H](CCl)C1=CC=C(Cl)C=C1Cl YH30362 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.1703 O[C@H](CCl)C1=CC=C(Cl)C=C1Cl YH66335 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.57 C[C@H](N)C1=CC=C(F)C=C1C#N RT7265 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.1000 CC(=O)C1=C(O)C=C(C)C=C1O RT11067 [0,2,0,0,0,0|0,0,2]=4 953 B12R1.1000 CC1=CC(C)=C(B(O)O)C(C)=C1 LQ2997 [0,2,0,0,0,0|2,0,0]=4 954 B10R2.31 BrC1=CC=C2CCC2=C1 LX2503 [1,0,0,1,0,0|1,0,0]=3 955 B10R2.31 NC1=CC=C2CCC2=C1 YH07057 [1,0,0,1,0,0|1,0,0]=3 956 B10R2.31 O=C1C=CC2=C(CC2)N1 RT15474 [1,0,0,1,0,0|2,0,0]=4 957 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|1,0,0]=3 958 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|0,0,0]=2 959 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|0,0,0]=2 960 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|0,0,2]=4 961 B12R2.79 NC1CC1C2=CC=C(F)C=C2 RT3576 [0,0,0,1,0,1|2,0,0]=4 962 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 RT3436 [0,0,0,1,0,1|2,0,0]=4 963 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 JZ4489 [0,0,0,1,0,1|1,0,1]=4 964 B12R2.606 CC1=CC=C2OC(C)=NC2=C1 LT0158 [0,0,0,1,0,1|1,0,1]=4 965 B12R2.606 CC1=CC=C2SC(C)=NC2=C1 LQ0265 [0,0,0,1,0,1|1,0,1]=4 966 B12R2.1384 OB(O)C1=CC=C2CCC2=C1 YH43569 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.612 CC1=CC2=C(C=N1)C(N)CC2 YH66299 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,1,0,1,0,0|0,0,2]=4 969 B12R2.612 NC1CCC2=CC(Br)=CC=C21 YH97266 [0,1,0,1,0,0|2,0,0]=4 970 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 RT9917 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 RT9918 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 RT9556 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.1 CC1=CC(CO)=NO1 YH56334 [1,0,0,0,1,0|2,0,0]=4 974 B8R1.1 CC1=NOC(CO)=C1 YH35431 [1,0,0,0,1,0|2,0,0]=4 975 B8R1.1 CCC1=NC(C)=CN1 YH96350 [1,0,0,0,1,0|2,0,0]=4 976 B8R1.1 CCN1C=C[N+](C)=C1 LL2794 [1,0,0,0,1,0|2,0,0]=4 977 B8R1.1 CCN1C=C[N+](C)=C1 YH34555 [1,0,0,0,1,0|2,0,0]=4 978 B8R1.1 CN1C=C(CO)C=N1 YH25019 [1,0,0,0,1,0|2,0,0]=4 979 B8R1.1 CN1C=CC(CO)=N1 YH88989 [1,0,0,0,1,0|2,0,0]=4 980 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [1,0,0,0,1,0|2,0,0]=4 981 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [1,0,0,0,1,0|2,0,0]=4 982 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,0,0,0,0,1|0,0,2]=4 983 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [1,0,0,0,0,1|0,1,1]=4 984 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [1,0,0,0,0,1|2,0,0]=4 985 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [1,0,0,0,0,1|1,0,0]=3 986 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,0,0,0,0,1|2,0,0]=4 987 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,0,0,0,0,1|1,0,1]=4 988 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,0,0,0,0,1|1,0,0]=3 989 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,0,0,0,0,1|0,0,0]=2 990 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [1,0,0,0,0,1|2,0,0]=4 991 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [1,0,0,0,0,1|1,0,1]=4 992 B12R1.21 CC(N)CCC1=CC=C(O)C=C1 RT3075 [0,0,0,0,0,2|2,0,0]=4 993 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [0,0,0,0,0,2|1,0,0]=3 994 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 JZ4325 [0,0,0,0,0,2|1,0,1]=4 995 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 JZ2437 [0,0,0,0,0,2|1,0,1]=4 996 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [0,0,0,0,0,2|1,0,0]=3