0 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 YH40649 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C(=O)C1=CC=C(C(=O)O)C=C1 JZ3943 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 C(=O)C1=CC=C([N+](=O)[O-])C=C1 LT6154 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 JZ4383 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 C=CC1=CC=C(N(=O)=O)C=C1 HL1249 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 CC(C)C1=CC=C(CO)C=C1 LL0970 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.3 CC(C)C1=CC=C(NN)C=C1 LL1986 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 HL1247 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 XJ0531 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.3 COC1=CC=C(C(C)=O)C=C1 JZ1135 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 COC1=CC=C(N(C)C)C=C1 YH14709 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 JZ5490 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 XJ1918 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 CJ3499 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 LL1609 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 O=CC1=NC=C([N+](=O)[O-])C=C1 YH56896 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.3 BrCC1=CC=C(CBr)C=C1 XJ1138 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.3 C#CC1=CC=C(CO)C=C1 YH23238 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.3 C#CC1=CC=C(OC)C=C1 HL0395 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.3 C(=O)C1=CC=C(OC)C=C1 JZ1237 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.3 C=CC1=CC=C(C=O)C=C1 YH41162 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.3 C=CC1=CC=C(CCl)C=C1 XJ1818 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.3 C=CC1=CC=C(CO)C=C1 YH23867 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.3 C=CC1=CC=C(OC)C=C1 JZ4048 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.3 CCC1=CC=C(C#N)C=C1 JZ5677 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.3 CCC1=CC=C(CC)C=C1 XJ0304 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.3 CCC1=CC=C(NN)C=C1 LQ5282 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.3 CNC1=CC=C(NC)C=C1 RT3267 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.3 CNC1=CC=C(OC)C=C1 LQ2977 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.3 COC1=CC=C(C#N)C=C1 LT2837 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.3 COC1=CC=C(C=O)N=C1 YH47276 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.3 COC1=CC=C(CCl)C=C1 JZ4193 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.3 COC1=CC=C(CN)C=C1 LT3064 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.3 COC1=CC=C(CS)C=C1 LX2163 [1,0,0,0,0,0|1,1,1]=4 34 B10R1.3 COC1=CC=C(NN)C=C1 LL1277 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.3 COC1=CC=C(NN)C=C1 XJ4526 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.3 COC1=CC=C(OC)C=C1 LT7890 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.3 COC1=CC=C(SC)C=C1 LQ1964 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.3 COC1=CC=C([Mg]Br)C=C1 LQ3616 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 COC1=NC=C(C=O)C=N1 YH94777 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.3 CSC1=NC=C(C=O)C=N1 YH94776 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.3 N#CC1=CC=C(C=O)C=C1 XJ0305 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.3 N#CC1=CC=C(CBr)C=C1 LT6906 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 N#CC1=CC=C(CBr)C=C1 XJ4361 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 N#CC1=CC=C(CCl)C=C1 XJ1447 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 N#CC1=CC=C(CN)C=C1 XJ4200 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.3 NCC1=CC=C(CO)C=C1 YH55734 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.3 O=CC1=CC=C(C=O)C=C1 LT7182 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.3 O=CC1=CC=C(CO)C=C1 YH04958 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.3 OCC1=CC=C(CCl)C=C1 YH38510 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.3 SCC1=CC=C(CS)C=C1 XJ0306 [1,0,0,0,0,0|1,1,1]=4 51 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.13 CC(C)C1=CC=C(Br)C=C1 XJ1042 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.13 CC(C)C1=CC=C(N)C=N1 YH00023 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 YH07736 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 CC(C)C1=NNC(=O)C=C1 YH66263 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(N)C1=CC=C(Br)C=C1 YH48936 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.13 CC(N)C1=NC=C(F)C=C1 SY0015 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 CC1=CC=C(C(C)C)C=C1 XJ5623 [1,0,0,0,0,0|0,0,1]=2 64 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.13 CC1=CC=C(C(C)O)C=N1 RT2394 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC1=CC=C(N(C)C)C=C1 YH99046 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.13 CN(C)C1=CC=C(Br)C=C1 LT2750 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CN(C)C1=CC=C(N)C=C1 HL1305 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.13 CN(C)C1=CC=C(N)C=C1 LL0967 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 CN(C)C1=CC=C(N)C=C1 LQ4413 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 CN(C)C1=CC=C(N)C=C1 XJ3077 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 LQ5152 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 YH17516 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 XJ4897 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=C1 LT3445 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 JZ4668 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 LQ1892 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 YH21073 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.6 C=CC1=CC=C([Si](C)(C)C)C=C1 YH65439 [0,1,0,0,0,0|1,1,0]=3 81 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 JZ1151 [0,1,0,0,0,0|0,0,0]=1 82 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 LT3792 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 LT5866 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 LT5680 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.6 CSC1=CC=C(C(C)(C)C)C=C1 LT3699 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.6 O=CC1=CC=C(S(=O)(=O)[O-])C=C1 XJ3970 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.48 O=CC1=CC=C([N+](=O)[O-])C=C1O RT6171 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.113 CC(C)C1=CC=C(N=C=O)C=C1 LT2998 [0,1,0,0,0,0|0,0,1]=2 89 B12R1.113 O=CNC1=CC=C(C(=O)O)C=C1 RT1570 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 XJ1047 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 JZ1131 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.256 CC(Br)C1=CC=C(C(=O)O)C=C1 XJ6874 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 LT3176 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 XJ4255 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 LL0971 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=N1 YH47400 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.256 CC(C)C1=NC=C([N+](=O)[O-])C=C1 LX3121 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 YH51960 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.256 C[C@@H](N)C1=CC=C(N(C)C)C=C1 LX2301 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 RT1728 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 XJ5797 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 LX3156 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.256 C[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 HL4961 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.256 N=C([NH3+])C1=CC=C(C(=O)O)C=C1 YH01256 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 LT3086 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 RT11851 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 CJ2236 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 LT3088 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.256 O=C([O-])C1=CC=C(C(=O)[O-])C=C1 LQ3372 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 XJ4488 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 LX3188 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 LX2877 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.452 O=CC1=CC(F)=C(N(=O)=O)C=C1 YH37764 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.31 CC(C)C1=NC(C=O)=CS1 YH32070 [0,0,0,0,1,0|2,0,0]=3 115 B12R1.4 C=CC1=CC=C(CC(C)C)C=C1 RT11097 [0,0,0,0,0,1|1,0,0]=2 116 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 JZ2093 [0,0,0,0,0,1|2,0,1]=4 117 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 LT3061 [0,0,0,0,0,1|1,0,1]=3 118 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 LQ4143 [0,0,0,0,0,1|0,0,0]=1 119 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 LL1327 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.1 BrCC1=CC=C(Br)C=C1 YH08714 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 BrCC1=CC=C(I)C=C1 XJ4204 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.1 C#CC1=CC=C(C)C=C1 HL0383 [2,0,0,0,0,0|1,0,1]=4 123 B9R1.1 C(=O)C1=CC=C(Br)C=C1 HL0659 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.1 C(=O)C1=CC=C(Cl)C=C1 XJ0297 [2,0,0,0,0,0|1,0,0]=3 125 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 JZ0751 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.1 C(=O)C1=CC=C(F)C=C1 RT10834 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.1 C(=O)C1=CC=C(N)N=C1 RT2853 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.1 C=CC1=CC=C(Br)C=C1 XJ2035 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.1 C=CC1=CC=C(C)C=C1 XJ1131 [2,0,0,0,0,0|1,0,0]=3 130 B9R1.1 C=CC1=CC=C(Cl)C=C1 JZ4358 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.1 C=CC1=CC=C(F)C=C1 LQ0811 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.1 C=CC1=CC=C(N)C=C1 LQ1825 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.1 C=CC1=CN=C(C)C=C1 XJ0560 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.1 C=CC1=NC=C(C)C=C1 YH58615 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.1 CC1=CC=C(C#N)C=C1 XJ0295 [2,0,0,0,0,0|1,0,1]=4 136 B9R1.1 CC1=CC=C(C=O)C=C1 XJ0296 [2,0,0,0,0,0|0,0,0]=2 137 B9R1.1 CC1=CC=C(C=O)C=N1 YH05496 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.1 CC1=CC=C(CBr)C=C1 XJ0291 [2,0,0,0,0,0|1,0,1]=4 139 B9R1.1 CC1=CC=C(CN)C=C1 XJ0294 [2,0,0,0,0,0|1,0,1]=4 140 B9R1.1 CC1=CC=C(CO)C=C1 HL0057 [2,0,0,0,0,0|0,0,2]=4 141 B9R1.1 CC1=CC=C(NN)C=C1 JZ4047 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.1 CC1=CC=C(NN)C=C1 XJ0909 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.1 CC1=CN=C(C=O)C=C1 HL2821 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.1 CC1=NC=C(C=O)C=N1 HL4933 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.1 CCC1=CC=C(Br)C=C1 LT0068 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.1 CCC1=CC=C(Cl)C=C1 XJ1132 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.1 CCC1=CC=C(I)C=C1 JZ5676 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.1 CCC1=CC=C(O)C=C1 LQ4557 [2,0,0,0,0,0|0,0,1]=3 149 B9R1.1 CCC1=CC=[N+]([O-])C=C1 RT11871 [2,0,0,0,0,0|1,0,1]=4 150 B9R1.1 CCC1=CN=C(C)C=C1 YH20573 [2,0,0,0,0,0|1,0,1]=4 151 B9R1.1 CCC1=CNC(=O)C=C1 YH05768 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.1 CNC1=CC=C(N)C=C1 LT5160 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 CNC1=CC=C(O)C=C1 LT7433 [2,0,0,0,0,0|1,0,1]=4 154 B9R1.1 COC1=CC=C(Br)C=C1 YH22845 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.1 COC1=CC=C(F)C=C1 RT11598 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 COC1=CC=C(N)C=C1 YH22851 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.1 COC1=CC=C(O)C=C1 LQ0608 [2,0,0,0,0,0|1,0,1]=4 158 B9R1.1 CSC1=CC=C(C)C=C1 XJ1135 [2,0,0,0,0,0|1,0,1]=4 159 B9R1.1 CSC1=CC=C(F)C=C1 XJ0702 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 ClC1=CC=C(CBr)C=C1 XJ1130 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 ClCC1=CC=C(Br)C=C1 HL0056 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.1 ClCC1=CC=C(Cl)C=C1 XJ0293 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.1 FC1=CC=C(CBr)C=C1 RT11193 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.1 FC1=CC=C(CCl)C=C1 LL0673 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 FC1=CC=C(CS)C=C1 JZ5068 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.1 NC1=CC=C(C=O)C=C1 LQ1002 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.1 NCC1=CC=C(Br)C=C1 YH59044 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 NCC1=CC=C(Cl)C=C1 LT2948 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 NCC1=CC=C(F)C=C1 RT1536 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 NCC1=CC=C(I)C=C1 LT1523 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 NCC1=CC=C(N)C=C1 JZ2534 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 NCC1=CC=C(O)C=C1 LQ1367 [2,0,0,0,0,0|1,0,1]=4 173 B9R1.1 O=CC1=CC=C(Br)N=C1 LT3321 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 O=CC1=CC=C(F)N=C1 YH13440 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 O=CC1=CC=C(I)C=C1 XJ4171 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.1 O=CC1=CC=C(O)C=C1 RT12842 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.1 O=CC1=CC=C(O)N=C1 LT3365 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 O=CC1=CC=C(S)C=C1 RT11108 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.1 O=CC1=NC=C(Br)C=C1 LQ4682 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.1 O=NC1=CC=C(O)C=C1 RT11953 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 OC1=CC=C(CBr)C=C1 CJ3032 [2,0,0,0,0,0|1,0,1]=4 182 B9R1.1 OCC1=CC=C(Br)C=C1 XJ1430 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 OCC1=CC=C(Cl)C=C1 JZ0815 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 OCC1=CC=C(I)C=C1 XJ4412 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 OCC1=CC=C(O)C=C1 JZ0347 [2,0,0,0,0,0|1,0,1]=4 186 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [2,0,0,0,0,0|0,0,2]=4 187 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [2,0,0,0,0,0|1,0,1]=4 188 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [2,0,0,0,0,0|1,1,0]=4 200 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [2,0,0,0,0,0|2,0,0]=4 201 B11R1.83 C#CC1=CC=C(CCC)C=C1 XJ5935 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.83 C#CC1=CC=C(OCC)C=C1 SY0305 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.83 C=CCC1=CC=C(OC)C=C1 HL4630 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.83 C=CCC1=CC=C(OC)C=C1 XJ1725 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.83 CCNC1=CC=C(CC)C=C1 YH65305 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.83 CCOC1=CC=C(C#N)C=C1 JZ5625 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.83 CCOC1=CC=C(CO)C=C1 XJ3074 [1,1,0,0,0,0|0,0,2]=4 208 B11R1.83 CCOC1=CC=C(OC)C=C1 RT12893 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.83 CNCC1=CC=C(OC)C=C1 YH91719 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.83 COC1=CC=C(CC=O)C=C1 XJ2955 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.83 COC1=CC=C(CCCl)C=C1 RT6112 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.83 COC1=CC=C(CCN)C=C1 RT11955 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.83 COC1=CC=C(\C=C\Br)C=C1 RT6348 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 HL2697 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.83 N#CC1=CC=C(CCN)C=C1 LL2081 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.83 N#CC1=CC=C(CCN)C=C1 LX2258 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.83 [N-]=[N+]=NC1=CC=C(C=O)C=C1 RT12017 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.279 C(=O)C1=CC(O)=C(OC)C=C1 LT7593 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.279 C(=O)C1=CC=C(OC)C(F)=C1 LQ0744 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 LT6726 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.279 COC1=C(C)C=C(C=O)C=C1 XJ5100 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.279 COC1=CC(F)=C(C=O)C=C1 LT6535 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.279 COC1=CC(O)=C(C=O)C=C1 LT6554 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.279 COC1=CC=C(C=O)C=C1Cl XJ2780 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 XJ6828 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 YH88750 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 JZ2422 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 LT3700 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 YH40959 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 YH45396 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.22 C(=O)C(C)C1=CC=C(Cl)C=C1 YH58118 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.22 CC1=CC=C(C(C)C=O)C=C1 HL1295 [1,1,0,0,0,0|0,0,2]=4 233 B11R1.22 CC1=CC=C(C(O)CN)C=C1 RT1609 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 YH56190 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.166 CC1=CC(N)=CC=C1C(C)C HL2774 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.166 C[C@@H](N)C1=CC=C(Br)C=C1F YH89064 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1O RT3352 [1,1,0,0,0,0|2,0,0]=4 239 B13R1.4 C(=O)C1=CC=C(OC(F)(F)F)C=C1 YH12469 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.36 CSC1=CC=C(C(=O)C(C)C)C=C1 LT2413 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 RT10571 [0,1,0,0,0,1|0,0,0]=2 242 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 LT2895 [0,1,0,0,0,1|1,0,1]=4 243 B13R1.585 CC(C)CC1=CC=C(C(C)O)C=C1 RT12536 [0,1,0,0,0,1|0,0,2]=4 244 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 JZ3676 [0,1,0,0,0,1|0,0,0]=2 245 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 JZ2635 [0,1,0,0,0,1|2,0,0]=4 246 B13R1.653 O=CC1=CC=C(OC(F)F)C(O)=C1 RT11062 [0,1,0,0,0,1|2,0,0]=4 247 B13R1.139 COC(=O)C1=CC=C(CC=O)C=C1 YH65628 [0,2,0,0,0,0|1,0,1]=4 248 B13R1.452 CCCC(C)C1=CC=C(OC)C=C1 RT12032 [0,2,0,0,0,0|2,0,0]=4 249 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 LT2976 [0,2,0,0,0,0|1,0,1]=4 250 B13R1.452 CN(CCO)C1=CC=C(C=O)C=C1 XJ1630 [0,2,0,0,0,0|1,0,0]=3 251 B13R1.537 CC(C)C1=CC=C(C(=O)CBr)C=C1 RT6286 [0,2,0,0,0,0|0,0,0]=2 252 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 JZ3096 [0,2,0,0,0,0|1,0,1]=4 253 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 JZ2386 [0,2,0,0,0,0|1,0,1]=4 254 B13R1.537 COC(=O)C1=CC=C(N(C)C)C=C1 LT5168 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 YH95020 [0,2,0,0,0,0|1,0,0]=3 256 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 RT10933 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.537 O=[N+]([O-])C1=CC=C(C(O)CBr)C=C1 CJ3169 [0,2,0,0,0,0|2,0,0]=4 258 B13R1.537 O=[N+]([O-])C1=CC=C(C(O)CO)C=C1 RT12056 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.537 O=[N+]([O-])C1=CC=C([C@@H](O)CBr)C=C1 LL2056 [0,2,0,0,0,0|2,0,0]=4 260 B13R1.38 CC(C)(C)C1=CC(O)=C(C=O)C=C1 LX3161 [0,2,0,0,0,0|0,0,0]=2 261 B13R1.38 CC(C)(C)C1=CC=C(C=O)C(Br)=C1 YH49143 [0,2,0,0,0,0|0,0,0]=2 262 B13R1.96 O=CC1=CC(F)=C(C(F)(F)F)C=C1 LT5836 [0,2,0,0,0,0|2,0,0]=4 263 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 XJ2440 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.140 CC(C)(C)C1=CC=C(CCO)C=C1 HL2942 [0,2,0,0,0,0|0,0,2]=4 265 B13R1.140 CC(C)(C)C1=CC=C(N=C=O)C=C1 JZ1799 [0,2,0,0,0,0|0,0,1]=3 266 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 JZ4142 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 LT0027 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.338 CC(C)(C)C1=CC=C(C(=O)Cl)C=C1 LT3718 [0,2,0,0,0,0|0,0,0]=2 269 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 JZ0131 [0,2,0,0,0,0|0,0,0]=2 270 B13R1.338 CC(C)(C)C1=CC=C([N+](=O)[O-])C=C1 XJ2434 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.338 CC(C)(O)C1=CC=C([N+](=O)[O-])C=C1 ZW0004 [0,2,0,0,0,0|1,0,0]=3 272 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 XJ5734 [0,2,0,0,0,0|1,0,0]=3 273 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)[O-])C=C1 LQ4578 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.338 CN(C)C1=CC=C(S(=O)(=O)O)C=C1 YH28741 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 XJ2579 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 LT3435 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.338 O=C([O-])C1=CC=C(C(F)(F)F)C=C1 XJ4893 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.120 CC1=CC(N(C)C)=CC=C1[P+](=O)[O-] JZ3823 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.120 CC1=CC(N(C)C)=CC=C1[PH](=O)[O-] HL3007 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 XJ3066 [0,2,0,0,0,0|1,0,0]=3 281 B11R2.190 C#CC1=CC2=C(C=C1)CC2 LX2809 [1,0,0,1,0,0|1,0,1]=4 282 B11R2.190 C=CC1=CC=C2CCC2=C1 LX3184 [1,0,0,1,0,0|1,0,0]=3 283 B11R2.190 OCC1=CC=C2CCC2=C1 YH05524 [1,0,0,1,0,0|0,0,2]=4 284 B11R2.34 ClC1=CC=C(C2CO2)C=C1 RT7256 [1,0,0,1,0,0|2,0,0]=4 285 B11R2.34 OC1=CC=C(C2CO2)C=C1 RT7953 [1,0,0,1,0,0|1,0,1]=4 286 B13R2.2121 COC1=CC2=C(C=C1)NC(C)C2 RT8453 [0,0,0,1,0,1|2,0,0]=4 287 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 YH11974 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.428 O=[N+]([O-])C1=CC=C(C2CO2)C=C1 CJ3154 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.21 CSC1=CC=C(C=O)S1 YH49028 [1,0,0,0,1,0|2,0,0]=4 290 B9R1.21 O=CC1=CC=C(CO)O1 JZ1173 [1,0,0,0,1,0|2,0,0]=4 291 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 LX2745 [1,0,0,0,0,1|1,0,0]=3 292 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 HL0415 [1,0,0,0,0,1|1,0,0]=3 293 B11R1.20 CC(C)OC1=CC=C(N)C=C1 LQ3314 [1,0,0,0,0,1|1,0,0]=3 294 B11R1.20 CC(N)CC1=CC=C(F)C=C1 HL1836 [1,0,0,0,0,1|2,0,0]=4 295 B11R1.20 CC(N)CC1=CC=C(F)C=C1 LL1086 [1,0,0,0,0,1|2,0,0]=4