0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 YH16676 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 N=C(N)NC1=CC=CC=C1 LQ3733 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 N=C(N)NC1=CC=CC=C1 YH65018 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [0,0,0,0,0,0|1,1,0]=2 20 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [0,0,0,0,0,0|0,0,0]=0 23 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.18 O=C(O)CC1=CN=CN=C1 YH05329 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.18 S=C(Cl)CC1=CC=NC=C1 LT3199 [0,0,0,0,0,0|2,1,0]=3 31 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 NCCC1=CC=NC=C1 YH11719 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 O=C=NC1=NC=CC=C1 RT8706 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|0,0,0]=1 59 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 O=N\C=C1\C=CC=CN1 RT8508 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|0,0,1]=2 63 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.8 SCCC1=CC=NC=C1 RT10479 [1,0,0,0,0,0|1,1,1]=4 66 B9R1.8 SCCC1=NC=CC=C1 RT10478 [1,0,0,0,0,0|1,1,1]=4 67 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|1,0,1]=3 68 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 JZ2786 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 HL1838 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 YH18094 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 LL0348 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 XJ0481 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 RT12770 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 HL0695 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 LT3770 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 XJ5030 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 XJ0551 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 YH54366 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.20 CC(=O)SC1=CC=C(I)C=C1 YH14509 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 LX2745 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.20 CC(N)CC1=CC=C(F)C=C1 HL1836 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.20 CC(N)CC1=CC=C(F)C=C1 LL1086 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JZ4004 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.20 CC1=CC=C(OC(=S)Cl)C=C1 JZ4309 [0,1,0,0,0,0|2,1,0]=4 85 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 RT3249 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 XJ4357 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 XJ0550 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 XJ1279 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 LQ3999 [0,1,0,0,0,0|1,1,0]=3 90 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 XJ2569 [0,1,0,0,0,0|2,1,0]=4 91 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 LT3063 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 HL1839 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 LQ3329 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 LQ1955 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 LT3076 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 RT12785 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 YH59203 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.20 S=C(Cl)OC1=CC=C(Cl)C=C1 JZ4310 [0,1,0,0,0,0|2,1,0]=4 99 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 LL0879 [0,1,0,0,0,0|0,0,1]=2 100 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 HL0407 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 YH58730 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.36 CC(C1=CC=CC=C1)N(C)C XJ2195 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 LQ2649 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 JZ0158 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.36 NC(C(=O)O)C1=CCC=CC1 YH45388 [0,1,0,0,0,0|0,0,2]=3 111 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 LT4728 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 YH52440 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,1,0,0,0,0|0,0,3]=4 114 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 LT6908 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [0,1,0,0,0,0|0,0,1]=2 116 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 XJ2766 [0,1,0,0,0,0|0,0,0]=1 117 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 YH66089 [0,1,0,0,0,0|0,0,0]=1 118 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [0,1,0,0,0,0|0,0,0]=1 120 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.36 O=[PH]([O-])C(O)C1=CC=CC=C1 RT12947 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.36 [C@H](C)(C(=O)O)C1=CC=CC=C1 JZ0854 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.40 NNC(=O)CC1=CC=CN=C1 YH43733 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 RT9532 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.40 O=C(CCl)NC1=NC=CC=C1 RT2329 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 XJ4438 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.86 CC(=O)NC1=CC=CC=C1Cl LL0941 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.86 CC(=O)OC1=CC=CC=C1Br RT11882 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.86 CC1=CC=CC=C1NC(N)=O HL0193 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.86 NC(=O)NC1=CC=CC=C1F XJ1260 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.86 NC(=S)NC1=CC=CC=C1Cl XJ2860 [0,1,0,0,0,0|2,1,0]=4 149 B11R1.86 NC(=S)NC1=CC=CC=C1O LQ1826 [0,1,0,0,0,0|2,1,0]=4 150 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 XJ0788 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl XJ4468 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.86 O=C(O)CC1=CC=CN=C1Cl YH66545 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [0,1,0,0,0,0|0,0,1]=2 158 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 LL0985 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 HL0043 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 LQ0740 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 RT1647 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 YH66558 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 XJ4094 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 HL4831 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 YH59202 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 LT3102 [0,1,0,0,0,0|0,0,0]=1 169 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 LQ1956 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 LQ1954 [0,1,0,0,0,0|0,0,0]=1 171 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 LT6766 [0,1,0,0,0,0|0,0,0]=1 172 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 LT3028 [0,1,0,0,0,0|0,0,0]=1 173 B11R1.157 O=C(O)CC1=CC=CC(S)=C1 RT19096 [0,1,0,0,0,0|0,0,0]=1 174 B11R1.509 CC(C)(O)CC1=CC=CC=C1 LQ0299 [0,1,0,0,0,0|1,0,1]=3 175 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 LT5528 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.509 CS(=O)(=O)SC1=CC=CC=C1 RT17788 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LL1922 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LT4179 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LT6993 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 XJ3090 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 HL0412 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.509 O=P([O-])([O-])OC1=CC=CC=C1 XJ2431 [0,1,0,0,0,0|2,0,1]=4 183 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.10 BrC1=NC2=CC=CC=C2S1 HL2307 [0,0,0,1,0,0|2,1,0]=4 185 B11R2.10 CC1=CC2=CC=CC=C2N1 LQ0261 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.10 CC1=CC2=CC=CC=C2O1 LQ2633 [0,0,0,1,0,0|1,0,1]=3 187 B11R2.10 CC1=NC2=CC=CC=C2O1 LT6591 [0,0,0,1,0,0|2,0,0]=3 188 B11R2.10 CC1=NC2=CC=CC=C2S1 LL0486 [0,0,0,1,0,0|2,1,0]=4 189 B11R2.10 CC1=NC2=CC=CC=C2[Se]1 LT1791 [0,0,0,1,0,0|2,1,0]=4 190 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 LT1106 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 LT1107 [0,0,0,1,0,0|2,0,1]=4 192 B11R2.10 ClC1=NC2=CC=CC=C2S1 LT2131 [0,0,0,1,0,0|2,1,0]=4 193 B11R2.10 ClC1=NC2=CC=CN=C2O1 CJ3027 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.10 NC1=CC2=C(C=CC=C2)N1 RT15983 [0,0,0,1,0,0|2,0,1]=4 195 B11R2.10 NC1=NC2=C(C=CC=C2)N1 LT6425 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.10 NC1=NC2=C(C=CC=C2)S1 LL0576 [0,0,0,1,0,0|2,1,0]=4 197 B11R2.10 NC1CC2=C(C=CC=C2)C1 HL2236 [0,0,0,1,0,0|2,0,1]=4 198 B11R2.10 NC1CC2=CC=CC=C2C1 XJ2313 [0,0,0,1,0,0|2,0,1]=4 199 B11R2.10 O=C1C=C2C=COC=C2O1 RT14175 [0,0,0,1,0,0|1,0,1]=3 200 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [0,0,0,1,0,0|1,0,0]=2 201 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [0,0,0,1,0,0|1,0,0]=2 202 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [0,0,0,1,0,0|0,1,0]=2 203 B11R2.10 O=C1CC2=NC=CC=C2N1 XJ5078 [0,0,0,1,0,0|2,0,0]=3 204 B11R2.10 O=C1N=C2C=CC=CC2=N1 YH01415 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.10 O=C1NC2=CC=CC=C2O1 LT0282 [0,0,0,1,0,0|1,0,0]=2 206 B11R2.10 O=C1NC2=NC=CC=C2O1 RT7818 [0,0,0,1,0,0|2,0,0]=3 207 B11R2.10 OC1=NC2=C(C=CC=C2)S1 JZ4289 [0,0,0,1,0,0|1,1,0]=3 208 B11R2.10 OC1=NN2C=CC=CC2=C1 YH09246 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.10 OC1CC2=CC=CC=C2C1 JZ0698 [0,0,0,1,0,0|1,0,1]=3 210 B11R2.10 SC1=NC2=C(C=CC=C2)O1 LT2020 [0,0,0,1,0,0|1,1,0]=3 211 B11R2.10 SC1=NC2=CC=CC=C2N1 RT9298 [0,0,0,1,0,0|2,1,0]=4 212 B11R2.10 SC1=NC2=CC=CC=C2S1 HL1623 [0,0,0,1,0,0|1,2,0]=4 213 B11R2.10 [S-]C1=NC2=CC=CC=C2N1 XJ2390 [0,0,0,1,0,0|2,1,0]=4 214 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [0,0,0,0,1,0|1,0,0]=2 216 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [0,0,0,0,1,0|2,0,0]=3 218 B9R1.6 CC(=O)C1=CN=CN=C1 RT1973 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.6 CC(=O)C1=NC=CC=N1 YH05694 [0,0,0,0,1,0|3,0,0]=4 220 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [0,0,0,0,1,0|2,0,1]=4 221 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [0,0,0,0,1,0|2,0,1]=4 222 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [0,0,0,0,1,0|3,0,0]=4 223 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [0,0,0,0,1,0|3,0,0]=4 224 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [0,0,0,0,1,0|2,0,1]=4 225 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [0,0,0,0,1,0|2,0,1]=4 226 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [0,0,0,0,1,0|2,0,1]=4 227 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [0,0,0,0,1,0|1,1,0]=3 228 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [0,0,0,0,1,0|2,0,1]=4 229 B9R1.6 ClP(Cl)C1=CC=CC=C1 JZ4097 [0,0,0,0,1,0|3,0,0]=4 230 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 YH96399 [0,0,0,0,1,0|3,0,0]=4 231 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [0,0,0,0,1,0|2,0,0]=3 232 B9R1.6 N=C(N)C1=CC=NC=C1 JZ2903 [0,0,0,0,1,0|3,0,0]=4 233 B9R1.6 N=C(N)C1=CC=NC=C1 YH55019 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [0,0,0,0,1,0|1,0,0]=2 235 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [0,0,0,0,1,0|1,0,0]=2 236 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [0,0,0,0,1,0|2,0,0]=3 237 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [0,0,0,0,1,0|2,0,0]=3 238 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [0,0,0,0,1,0|1,1,0]=3 239 B9R1.6 O=C(Cl)C1=CC=CN=C1 JZ0788 [0,0,0,0,1,0|2,0,0]=3 240 B9R1.6 O=C(Cl)C1=CC=CN=C1 LT7313 [0,0,0,0,1,0|2,0,0]=3 241 B9R1.6 O=C(Cl)C1=CN=CC=N1 YH43954 [0,0,0,0,1,0|3,0,0]=4 242 B9R1.6 O=C(Cl)C1=NC=CC=C1 LT5112 [0,0,0,0,1,0|2,0,0]=3 243 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [0,0,0,0,1,0|1,0,0]=2 244 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [0,0,0,0,1,0|1,0,0]=2 245 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [0,0,0,0,1,0|1,0,0]=2 246 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [0,0,0,0,1,0|1,0,0]=2 247 B9R1.6 O=C(O)C1=CN=CN=C1 JZ0399 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.6 O=C(O)C1=CN=NC=C1 XJ5546 [0,0,0,0,1,0|2,0,0]=3 249 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [0,0,0,0,1,0|2,0,0]=3 252 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [0,0,0,0,1,0|0,0,1]=2 253 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [0,0,0,0,1,0|0,0,1]=2 254 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [0,0,0,0,1,0|0,0,1]=2 255 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [0,0,0,0,1,0|0,0,1]=2 256 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [0,0,0,0,1,0|0,0,1]=2 257 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [0,0,0,0,1,0|0,0,1]=2 258 B9R1.6 O=C([O-])C1=CN=CC=C1 LL1069 [0,0,0,0,1,0|1,0,1]=3 259 B9R1.6 O=C([O-])C1=CN=CC=C1 LQ0027 [0,0,0,0,1,0|1,0,1]=3 260 B9R1.6 O=C([O-])C1=NC=CC=C1 JZ5244 [0,0,0,0,1,0|1,0,1]=3 261 B9R1.6 O=C([O-])C1=NC=CC=C1 LQ3798 [0,0,0,0,1,0|1,0,1]=3 262 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [0,0,0,0,1,0|1,0,0]=2 263 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [0,0,0,0,1,0|1,0,1]=3 264 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [0,0,0,0,1,0|1,0,1]=3 265 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 LQ2210 [0,0,0,0,1,0|2,0,1]=4 266 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [0,0,0,0,1,0|1,0,1]=3 267 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [0,0,0,0,1,0|1,0,1]=3 268 B9R1.6 OB(O)C1=CC=CC=N1 LL2565 [0,0,0,0,1,0|2,0,1]=4 269 B9R1.6 OB(O)C1=CC=CN=C1 LQ1914 [0,0,0,0,1,0|2,0,1]=4 270 B9R1.6 OB(O)C1=CC=NC=C1 CJ2813 [0,0,0,0,1,0|2,0,1]=4 271 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [0,0,0,0,1,0|0,0,0]=1 272 B9R1.6 [SiH](Cl)(Cl)C1=CC=CC=C1 HL0912 [0,0,0,0,1,0|2,1,0]=4 273 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [0,0,0,0,1,0|2,0,0]=3 274 B9R1.13 NC(=O)CC1=CC=CS1 XJ2712 [0,0,0,0,1,0|2,0,0]=3 275 B9R1.13 O=C(Cl)CC1=CC=CS1 LT0592 [0,0,0,0,1,0|2,0,0]=3 276 B9R1.13 O=C(Cl)CC1=CC=CS1 LT5114 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.13 O=C(O)CC1=CC=CS1 LT6659 [0,0,0,0,1,0|1,0,0]=2 278 B9R1.13 O=C(O)CC1=CNC=C1 YH90782 [0,0,0,0,1,0|1,0,0]=2 279 B9R1.13 O=C(O)CC1=CNC=N1 LX2171 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.13 O=C(O)CC1=CSC=C1 LT3139 [0,0,0,0,1,0|1,0,0]=2 281 B9R1.13 O=C(O)CC1=CSC=C1 XJ3177 [0,0,0,0,1,0|1,0,0]=2 282 B9R1.13 O=C(O)CC1=NC=CN1 YH42847 [0,0,0,0,1,0|2,0,0]=3 283 B9R1.13 O=C(O)CN1C=CN=C1 LX2150 [0,0,0,0,1,0|2,0,0]=3 284 B9R1.13 O=C(O)CN1C=CN=C1 YH91367 [0,0,0,0,1,0|2,0,0]=3 285 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [0,0,0,0,0,1|2,0,0]=3 286 B11R1.91 CC(=O)C#CC1=CC=CC=C1 XJ1968 [0,0,0,0,0,1|1,0,1]=3 287 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,0,0,0,0,1|1,0,0]=2 288 B11R1.91 CC(=O)NNC1=CC=CC=C1 HL1438 [0,0,0,0,0,1|2,0,0]=3 289 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,0,0,0,0,1|2,0,1]=4 290 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [0,0,0,0,0,1|1,0,1]=3 291 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [0,0,0,0,0,1|1,0,1]=3 292 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [0,0,0,0,0,1|3,0,0]=4 293 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,0,0,0,0,1|2,0,0]=3 294 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [0,0,0,0,0,1|1,0,0]=2 295 B11R1.91 NC(=O)NNC1=CC=CC=C1 LL0305 [0,0,0,0,0,1|2,0,0]=3 296 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,0,0,0,0,1|1,0,0]=2 297 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [0,0,0,0,0,1|1,0,1]=3 298 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,0,0,0,0,1|1,1,0]=3 299 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,0,0,0,0,1|1,0,0]=2 300 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [0,0,0,0,0,1|1,0,1]=3 301 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 YH25200 [0,0,0,0,0,1|2,0,1]=4 302 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [0,0,0,0,0,1|0,0,1]=2 303 B11R1.91 O=C(O)COC1=CC=CC=N1 YH08506 [0,0,0,0,0,1|1,0,0]=2 304 B11R1.91 O=C(O)COC1=CC=CN=C1 LL1584 [0,0,0,0,0,1|1,0,0]=2 305 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,0,0,0,0,1|0,0,0]=1 306 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [0,0,0,0,0,1|0,0,1]=2 307 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [0,0,0,0,0,1|0,0,1]=2 308 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HL0692 [0,0,0,0,0,1|1,0,1]=3 309 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 JZ5354 [0,0,0,0,0,1|1,0,1]=3 310 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 XJ2849 [0,0,0,0,0,1|1,0,1]=3 311 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 LQ3273 [0,0,0,0,0,1|1,0,1]=3 312 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [0,0,0,0,0,1|0,0,1]=2 313 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [0,0,0,0,0,1|0,0,2]=3 314 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [0,0,0,0,0,1|0,0,2]=3 315 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 LQ2816 [0,0,0,0,0,1|1,0,2]=4 316 B8R0.4 C\C=C\C=C/C=C/C=O RT17881 [1,0,1,0,0,0|0,0,2]=4 317 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,1]=3 323 B8R1.2 C=CC1=CC=CN=C1 RT7678 [2,0,0,0,0,0|1,0,1]=4 324 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,1]=4 326 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|1,0,1]=4 333 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 O=CC1=CC=CN=C1 RT10183 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 O=CC1=CN=CN=C1 LX3173 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 O=CC1=NC=CC=N1 YH51306 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 O=CC1=NC=CN=C1 HL3002 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 O=CC1=NC=NC=C1 YH48930 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 O=CC1=NN=CC=C1 XJ5876 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|0,0,0]=2 351 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.2 OCC1=CN=CN=C1 LX3222 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 OCC1=NC=CN=C1 YH13049 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 OCC1=NC=NC=C1 YH55246 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|0,1,0]=3 358 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 359 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 360 B10R1.1 Br\C=C\C1=CC=C(Br)C=C1 RT6387 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 CC1=CC=C(N=C=O)C=C1 LT3140 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.1 ClC1=CC=C(\C=C\Br)C=C1 RT6043 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.1 O=C=NC1=CC=C(F)C=C1 JZ4482 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|0,0,0]=2 382 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|0,0,1]=3 384 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|0,0,1]=3 385 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.1 O\N=C\C1=CC=C(F)C=C1 YH02278 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.4 Br\C=C\C1=CC=CC=C1Br RT6046 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.4 CC1=CC=CC=C1N=C=O HL0189 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.4 CC1=NC=CC=C1CCO RT8739 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 XJ2468 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.4 O=C=NC1=C(F)C=CC=C1 LQ3980 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,1,0,0,0,0|0,0,0]=2 403 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,1,0,0,0,0|0,0,0]=2 404 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.10 CC1=CC(NC=O)=CC=C1 HL2478 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,1,0,0,0,0|0,0,1]=3 419 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.10 O=C=NC1=CC(Br)=CC=C1 LQ4373 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.10 O=C=NC1=CC(F)=CC=C1 LQ0799 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.10 O=C=NC1=CC(I)=CC=C1 LQ4374 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.10 O=C=NC1=CC=CC(Cl)=C1 LT2914 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,1,0,0,0,0|0,0,1]=3 428 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.15 C1=CC=C(N([O-])N=O)C=C1 LT7153 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,1,0,0,0,0|0,0,1]=3 443 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,1,0,0,0,0|0,0,1]=3 444 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|0,0,1]=3 445 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [1,1,0,0,0,0|0,0,0]=2 448 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.17 N#C\C=C\C1=CC=CC=C1 JZ2494 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [1,1,0,0,0,0|0,0,1]=3 460 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [1,1,0,0,0,0|0,0,1]=3 461 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [1,1,0,0,0,0|0,0,1]=3 463 B10R1.17 O=C\C=C\C1=CC=CN=C1 RT18185 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.17 O=C\C=C\C1=CC=CN=C1 XJ5146 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [1,1,0,0,0,0|0,0,2]=4 466 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,1,0,0,0,0|0,0,1]=3 470 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,1,0,0,0,0|0,0,1]=3 471 B10R1.17 OC\C=C\C1=CC=CN=C1 RT7938 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [0,1,0,0,1,0|1,0,0]=3 474 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [0,1,0,0,1,0|1,0,0]=3 476 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [0,1,0,0,1,0|1,0,0]=3 480 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [0,1,0,0,1,0|2,0,0]=4 481 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [0,1,0,0,1,0|2,0,0]=4 482 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [0,1,0,0,1,0|1,0,1]=4 483 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY0255 [0,1,0,0,1,0|1,0,1]=4 484 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [0,1,0,0,1,0|0,0,0]=2 485 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [0,1,0,0,1,0|1,0,0]=3 486 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [0,1,0,0,1,0|1,0,1]=4 487 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [0,1,0,0,1,0|1,0,0]=3 488 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [0,1,0,0,1,0|1,0,0]=3 489 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [0,1,0,0,1,0|1,0,0]=3 491 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [0,1,0,0,1,0|2,0,0]=4 492 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HL2287 [0,1,0,0,1,0|2,0,0]=4 495 B10R1.13 N=C(N)C1=CC=C(N)C=C1 JZ3229 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.13 N=C(N)C1=CC=C(O)C=C1 LT2008 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.13 N=C(N)C1=CC=C(O)C=C1 YH36971 [0,1,0,0,1,0|2,0,0]=4 498 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [0,1,0,0,1,0|1,0,0]=3 499 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [0,1,0,0,1,0|1,0,0]=3 500 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [0,1,0,0,1,0|1,0,0]=3 502 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [0,1,0,0,1,0|1,0,0]=3 503 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [0,1,0,0,1,0|1,1,0]=4 505 B10R1.13 NC1=CC=C(B(O)O)C=C1 SY0280 [0,1,0,0,1,0|1,0,1]=4 506 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [0,1,0,0,1,0|0,0,0]=2 507 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 LT3105 [0,1,0,0,1,0|0,0,1]=3 509 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 JZ0055 [0,1,0,0,1,0|1,0,1]=4 510 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [0,1,0,0,1,0|1,0,0]=3 511 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 XJ0449 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 JZ0749 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 JZ1126 [0,1,0,0,1,0|1,0,0]=3 514 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 JZ4692 [0,1,0,0,1,0|1,0,0]=3 515 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [0,1,0,0,1,0|0,0,0]=2 516 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [0,1,0,0,1,0|1,0,0]=3 518 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [0,1,0,0,1,0|0,0,0]=2 519 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [0,1,0,0,1,0|1,0,0]=3 520 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 HL2902 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [0,1,0,0,1,0|0,0,0]=2 522 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [0,1,0,0,1,0|0,0,0]=2 523 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [0,1,0,0,1,0|0,0,0]=2 524 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [0,1,0,0,1,0|1,0,0]=3 525 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [0,1,0,0,1,0|1,0,0]=3 526 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [0,1,0,0,1,0|1,0,0]=3 527 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 XJ5265 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [0,1,0,0,1,0|1,0,0]=3 529 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 LX2929 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [0,1,0,0,1,0|1,0,0]=3 531 B10R1.13 O=C(O)C1=NC=C(O)N=C1 LX2658 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HL1435 [0,1,0,0,1,0|0,0,1]=3 533 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 JZ4192 [0,1,0,0,1,0|1,0,1]=4 534 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 RT13188 [0,1,0,0,1,0|1,0,1]=4 535 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 LT0072 [0,1,0,0,1,0|1,0,1]=4 536 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 RT11294 [0,1,0,0,1,0|1,0,1]=4 537 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 LT3458 [0,1,0,0,1,0|1,0,1]=4 538 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 RT12985 [0,1,0,0,1,0|1,0,1]=4 539 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CJ2455 [0,1,0,0,1,0|1,0,1]=4 540 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 LQ1888 [0,1,0,0,1,0|1,0,1]=4 541 B10R1.13 OB(O)C1=CC=C(F)C=C1 XJ1901 [0,1,0,0,1,0|1,0,1]=4 542 B10R1.13 OB(O)C1=CC=C(O)C=C1 XJ6238 [0,1,0,0,1,0|1,0,1]=4 543 B10R1.28 CC(C)(O)C1=CC=CC=C1 LQ1212 [0,1,0,0,1,0|1,0,1]=4 544 B10R1.28 CP(=O)(Cl)C1=CC=CC=C1 XJ2994 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 LQ2383 [0,1,0,0,1,0|1,0,1]=4 546 B10R1.28 C[Si](C)(O)C1=CC=CC=C1 JZ2662 [0,1,0,0,1,0|1,1,0]=4 547 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 XJ0224 [0,1,0,0,1,0|1,0,1]=4 548 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 RT13210 [0,1,0,0,1,0|1,0,0]=3 549 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 JZ4027 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 YH06116 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.28 O=S(=O)(O)C1=NC=CC=C1 LT5888 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.28 O=S(=O)([Na])C1=CC=CC=C1 LT4044 [0,1,0,0,1,0|1,0,1]=4 553 B10R1.28 O=S(=O)([Zn])C1=CC=CC=C1 LT4045 [0,1,0,0,1,0|1,0,1]=4 554 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 XJ0221 [0,1,0,0,1,0|1,0,0]=3 555 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [0,1,0,0,1,0|2,0,0]=4 556 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [0,1,0,0,1,0|1,0,0]=3 557 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [0,1,0,0,1,0|1,0,0]=3 559 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [0,1,0,0,1,0|1,0,0]=3 560 B10R1.61 CC(=O)C1=CC=CN=C1C YH39691 [0,1,0,0,1,0|2,0,0]=4 561 B10R1.61 CC(=O)C1=CC=CN=C1Cl YH07033 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.61 CC(=O)C1=CC=CN=C1N YH12193 [0,1,0,0,1,0|2,0,0]=4 563 B10R1.61 CC(=O)C1=NC=CC=C1F YH65591 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [0,1,0,0,1,0|1,0,1]=4 565 B10R1.61 CC1=C(C(=O)O)C=CC=C1 LQ0494 [0,1,0,0,1,0|0,0,0]=2 566 B10R1.61 CC1=C(C(=O)O)C=CN=C1 RT9406 [0,1,0,0,1,0|1,0,0]=3 567 B10R1.61 CC1=C(C(=O)O)C=NC=N1 HL3596 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.61 CC1=CC=CC=C1B(O)O LT6617 [0,1,0,0,1,0|1,0,1]=4 569 B10R1.61 CC1=CC=CC=C1C(=O)Cl JZ4285 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.61 CC1=CC=CN=C1C(=O)O LT5691 [0,1,0,0,1,0|1,0,0]=3 571 B10R1.61 CC1=NC=CC=C1C(=O)O JZ2271 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.61 CC1=NC=CN=C1C(=O)O YH00415 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] RT7788 [0,1,0,0,1,0|1,0,1]=4 574 B10R1.61 N=C(N)C1=C(O)C=CC=C1 YH65820 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.61 NC(=O)C1=C(N)C=CN=C1 YH16594 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.61 NC(=O)C1=CC=CC=C1N LL0171 [0,1,0,0,1,0|1,0,0]=3 577 B10R1.61 NC(=O)C1=NC=CC=C1N XJ5526 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.61 NC1=C(C(=O)O)C=CC=C1 LT0272 [0,1,0,0,1,0|0,0,0]=2 579 B10R1.61 NC1=C(C(=O)O)C=CN=C1 YH17177 [0,1,0,0,1,0|1,0,0]=3 580 B10R1.61 NC1=C(C(=O)O)C=NC=C1 JZ3131 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.61 NC1=CC=CC=C1B(O)O LT0279 [0,1,0,0,1,0|1,0,1]=4 582 B10R1.61 NC1=CC=CN=C1C(=O)O HL0849 [0,1,0,0,1,0|1,0,0]=3 583 B10R1.61 NC1=NC=CN=C1C(=O)O LT6716 [0,1,0,0,1,0|2,0,0]=4 584 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 RT7792 [0,1,0,0,1,0|2,0,0]=4 585 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 JZ1033 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 XJ1083 [0,1,0,0,1,0|1,0,0]=3 587 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl LT2133 [0,1,0,0,1,0|1,0,0]=3 588 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 LQ0495 [0,1,0,0,1,0|0,0,0]=2 589 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 XJ3548 [0,1,0,0,1,0|1,0,0]=3 590 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 XJ4919 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.61 O=C(O)C1=C(F)C=CN=C1 LX2749 [0,1,0,0,1,0|1,0,0]=3 592 B10R1.61 O=C(O)C1=C(F)C=NC=C1 HL1748 [0,1,0,0,1,0|1,0,0]=3 593 B10R1.61 O=C(O)C1=C(I)C=CC=C1 LT6566 [0,1,0,0,1,0|0,0,0]=2 594 B10R1.61 O=C(O)C1=C(O)C=CC=C1 RT10607 [0,1,0,0,1,0|0,0,0]=2 595 B10R1.61 O=C(O)C1=C(O)C=CN=C1 XJ1084 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.61 O=C(O)C1=CC=CC=C1Br LL0169 [0,1,0,0,1,0|0,0,0]=2 597 B10R1.61 O=C(O)C1=CC=CC=C1S LQ3223 [0,1,0,0,1,0|0,0,0]=2 598 B10R1.61 O=C(O)C1=CC=CC=C1[O-] LQ0966 [0,1,0,0,1,0|0,0,0]=2 599 B10R1.61 O=C(O)C1=CC=CN=C1Cl LT6516 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.61 O=C(O)C1=CC=CN=C1F HL1749 [0,1,0,0,1,0|1,0,0]=3 601 B10R1.61 O=C(O)C1=CN=CC=C1Br YH36635 [0,1,0,0,1,0|1,0,0]=3 602 B10R1.61 O=C(O)C1=NC=CC=C1Br RT15189 [0,1,0,0,1,0|1,0,0]=3 603 B10R1.61 O=C(O)C1=NC=CC=C1Cl XJ5804 [0,1,0,0,1,0|1,0,0]=3 604 B10R1.61 O=C(O)C1=NC=CC=C1F YH36326 [0,1,0,0,1,0|1,0,0]=3 605 B10R1.61 O=C(O)C1=NC=CC=C1O XJ1437 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.61 O=C(O)C1=NC=CC=C1S RT16346 [0,1,0,0,1,0|1,0,0]=3 607 B10R1.61 O=C(O)C1=NC=CN=C1O YH65414 [0,1,0,0,1,0|2,0,0]=4 608 B10R1.61 O=C([O-])C1=CC=CC=C1O HL0014 [0,1,0,0,1,0|0,0,1]=3 609 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ3839 [0,1,0,0,1,0|0,0,1]=3 610 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ5006 [0,1,0,0,1,0|0,0,1]=3 611 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ0967 [0,1,0,0,1,0|0,0,1]=3 612 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ4134 [0,1,0,0,1,0|0,0,1]=3 613 B10R1.61 O=C([O-])C1=CC=CC=C1[O-] LL1063 [0,1,0,0,1,0|0,0,1]=3 614 B10R1.61 O=C([O-])C1=NC=CC=C1Br RT16520 [0,1,0,0,1,0|1,0,1]=4 615 B10R1.61 O=N(=O)C1=CC=CC=C1O LL0174 [0,1,0,0,1,0|1,0,1]=4 616 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 JZ3833 [0,1,0,0,1,0|1,0,1]=4 617 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 LL0173 [0,1,0,0,1,0|1,0,1]=4 618 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 RT12368 [0,1,0,0,1,0|1,0,1]=4 619 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 XJ1086 [0,1,0,0,1,0|1,0,1]=4 620 B10R1.61 O=[N+]([O-])C1=C(S)C=CC=C1 YH03191 [0,1,0,0,1,0|1,0,1]=4 621 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] LQ1488 [0,1,0,0,1,0|1,0,1]=4 622 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 LT1715 [0,1,0,0,1,0|1,0,1]=4 623 B10R1.61 OB(O)C1=C(F)C=CC=C1 XJ1970 [0,1,0,0,1,0|1,0,1]=4 624 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 LX2618 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 RT15363 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [0,1,0,0,1,0|1,0,0]=3 628 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [0,1,0,0,1,0|1,0,0]=3 629 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [0,1,0,0,1,0|1,0,0]=3 630 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 LX2619 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [0,1,0,0,1,0|1,0,0]=3 632 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 JZ3057 [0,1,0,0,1,0|1,0,1]=4 634 B10R1.113 CC(O)C1=CC=CC(N)=C1 XJ2202 [0,1,0,0,1,0|1,0,1]=4 635 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [0,1,0,0,1,0|1,0,0]=3 636 B10R1.113 CC1=CC=CC(B(O)O)=C1 LT6827 [0,1,0,0,1,0|1,0,1]=4 637 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [0,1,0,0,1,0|0,0,0]=2 638 B10R1.113 CC1=CC=CC(C(=O)O)=N1 JZ4291 [0,1,0,0,1,0|1,0,0]=3 639 B10R1.113 CC1=CN=CC(C(=O)O)=C1 LT6022 [0,1,0,0,1,0|1,0,0]=3 640 B10R1.113 CC1=NC(C(=O)O)=CC=N1 JZ4788 [0,1,0,0,1,0|2,0,0]=4 641 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 YH65966 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 XJ3010 [0,1,0,0,1,0|1,0,0]=3 643 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 RT4413 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.113 N=C(N)C1=CC=CC(F)=C1 XJ6333 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.113 N=C(N)C1=CC=CC(N)=C1 LT2228 [0,1,0,0,1,0|2,0,0]=4 646 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 LQ4630 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [0,1,0,0,1,0|1,0,0]=3 648 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [0,1,0,0,1,0|1,0,0]=3 649 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 JZ1859 [0,1,0,0,1,0|2,0,0]=4 650 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 XJ6709 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.113 NC1=CC(C(=O)O)=CN=C1 YH48838 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.113 NC1=CC(C(=O)O)=NC=C1 RT5964 [0,1,0,0,1,0|1,0,0]=3 653 B10R1.113 NC1=CC=CC(B(O)O)=C1 LT2552 [0,1,0,0,1,0|1,0,1]=4 654 B10R1.113 NC1=CC=CC(C(=O)O)=N1 JZ5606 [0,1,0,0,1,0|1,0,0]=3 655 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 XJ0269 [0,1,0,0,1,0|1,0,1]=4 656 B10R1.113 NC1=NC=CC(C(=O)O)=C1 YH32218 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.113 NC1C=CC=C(C(=O)O)C1 RT4711 [0,1,0,0,1,0|0,0,2]=4 658 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 JZ4695 [0,1,0,0,1,0|1,0,0]=3 659 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 LQ1216 [0,1,0,0,1,0|1,0,0]=3 660 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 LT3937 [0,1,0,0,1,0|2,0,0]=4 661 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 LT3027 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.113 O=C(Cl)C1=CC(I)=CC=C1 JZ4696 [0,1,0,0,1,0|1,0,0]=3 663 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 JZ0792 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [0,1,0,0,1,0|0,0,0]=2 665 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 LT6515 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [0,1,0,0,1,0|0,0,0]=2 667 B10R1.113 O=C(O)C1=CC(F)=CN=C1 LQ0786 [0,1,0,0,1,0|1,0,0]=3 668 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [0,1,0,0,1,0|0,0,0]=2 669 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [0,1,0,0,1,0|0,0,0]=2 670 B10R1.113 O=C(O)C1=CC(S)=NC=C1 YH42361 [0,1,0,0,1,0|1,0,0]=3 671 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [0,1,0,0,1,0|0,0,0]=2 672 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [0,1,0,0,1,0|0,0,0]=2 673 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 LQ2733 [0,1,0,0,1,0|1,0,0]=3 674 B10R1.113 O=C(O)C1=CC=CC(F)=N1 LQ0787 [0,1,0,0,1,0|1,0,0]=3 675 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 LT3524 [0,1,0,0,1,0|1,0,0]=3 676 B10R1.113 O=C(O)C1=CN=CC(O)=C1 JZ0794 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=N1 RT9260 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 JZ0754 [0,1,0,0,1,0|1,0,0]=3 679 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 YH48486 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 YH35927 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.113 O=C(O)C1=NC(O)=CC=C1 JZ0755 [0,1,0,0,1,0|1,0,0]=3 682 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 LX2083 [0,1,0,0,1,0|1,0,0]=3 683 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 LQ2927 [0,1,0,0,1,0|1,0,0]=3 684 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 YH57583 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY0110 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CC=C1 LL0512 [0,1,0,0,1,0|1,0,1]=4 687 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 JZ4098 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 LT1873 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 LQ0982 [0,1,0,0,1,0|1,0,1]=4 690 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 SY0269 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.113 OB(O)C1=CC(F)=CC=C1 LT2898 [0,1,0,0,1,0|1,0,1]=4 692 B10R1.23 NC(C(=O)O)C1=CSC=C1 YH58218 [0,1,0,0,1,0|1,0,0]=3 693 B10R1.54 NC1=NC(CC(=O)O)=CS1 LT1645 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.54 O=C(O)CC1=CSC(Br)=N1 SY0053 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.64 CN1C=CC=C1CC(=O)O YH46781 [0,1,0,0,1,0|1,0,0]=3 696 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [0,1,0,0,0,1|1,0,1]=4 697 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 JZ4325 [0,1,0,0,0,1|0,0,0]=2 698 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 JZ2437 [0,1,0,0,0,1|0,0,0]=2 699 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [0,1,0,0,0,1|1,0,1]=4 700 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 HL1964 [0,1,0,0,0,1|2,0,0]=4 701 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 JZ1980 [0,1,0,0,0,1|0,0,0]=2 702 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HL0948 [0,1,0,0,0,1|0,0,0]=2 703 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 RT6283 [0,1,0,0,0,1|0,0,0]=2 704 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 RT16522 [0,1,0,0,0,1|0,0,0]=2 705 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 LT7384 [0,1,0,0,0,1|0,0,0]=2 706 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 LQ1962 [0,1,0,0,0,1|0,0,0]=2 707 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 RT11084 [0,1,0,0,0,1|0,0,1]=3 708 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 XJ1623 [0,1,0,0,0,1|0,0,1]=3 709 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 RT6457 [0,1,0,0,0,1|0,0,1]=3 710 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 LT2333 [0,1,0,0,0,1|0,0,1]=3 711 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 XJ0856 [0,1,0,0,0,1|0,0,1]=3 712 B12R1.21 O=C(O)\C=C\C1=CC=C(S)C=C1 RT13144 [0,1,0,0,0,1|0,0,1]=3 713 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 YH10507 [0,1,0,0,0,1|1,0,0]=3 714 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 JZ3727 [0,1,0,0,0,1|1,0,0]=3 715 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HL2281 [0,1,0,0,0,1|1,0,0]=3 716 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [0,1,0,0,0,1|1,0,0]=3 717 B12R1.27 COC(=O)CCC1=CC=CN=C1 XJ6488 [0,1,0,0,0,1|1,0,0]=3 718 B12R1.27 COC(=O)OCC1=CC=CC=C1 RT11038 [0,1,0,0,0,1|0,0,0]=2 719 B12R1.27 NCC(=O)OCC1=CC=CC=C1 JZ4757 [0,1,0,0,0,1|1,0,0]=3 720 B12R1.27 NCC(=O)OCC1=CC=CC=C1 RT5531 [0,1,0,0,0,1|1,0,0]=3 721 B12R1.27 NNC(=O)CCC1=CN=CC=C1 YH54209 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.27 O=C(C#CC1=CC=CC=C1)CCl RT12399 [0,1,0,0,0,1|1,0,1]=4 723 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 YH49901 [0,1,0,0,0,1|1,0,0]=3 724 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 XJ0546 [0,1,0,0,0,1|1,0,0]=3 725 B12R1.27 O=C(CO)OCC1=CC=CC=C1 RT12484 [0,1,0,0,0,1|0,0,0]=2 726 B12R1.27 O=C(COC1=CC=CC=C1)O[Na] JZ0339 [0,1,0,0,0,1|0,0,0]=2 727 B12R1.27 OCC(O)COC1=CC=CC=C1 LT3080 [0,1,0,0,0,1|0,0,2]=4 728 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [0,1,0,0,0,1|0,0,0]=2 729 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [0,1,0,0,0,1|0,0,0]=2 730 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [0,1,0,0,0,1|0,0,0]=2 731 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl XJ0460 [0,1,0,0,0,1|1,0,0]=3 732 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O YH66331 [0,1,0,0,0,1|0,0,0]=2 733 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 JZ2645 [0,1,0,0,0,1|1,0,0]=3 734 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 RT6536 [0,1,0,0,0,1|1,0,0]=3 735 B12R1.43 NC(CC1=CC=CC=C1)C(=O)[O-] YH66172 [0,1,0,0,0,1|0,0,1]=3 736 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O JZ1067 [0,1,0,0,0,1|1,0,0]=3 737 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [0,1,0,0,0,1|0,0,0]=2 738 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O JZ1066 [0,1,0,0,0,1|1,0,0]=3 739 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [0,1,0,0,0,1|0,0,1]=3 740 B12R1.43 O=C(O)C(=O)NC1=NC=CC=C1 RT4315 [0,1,0,0,0,1|1,0,1]=4 741 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [0,1,0,0,0,1|0,0,0]=2 742 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [0,1,0,0,0,1|0,0,0]=2 743 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [0,1,0,0,0,1|0,0,0]=2 744 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [0,1,0,0,0,1|0,0,0]=2 745 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [0,1,0,0,0,1|0,0,1]=3 746 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 RT7777 [0,1,0,0,0,1|1,0,1]=4 747 B12R1.43 [C@@H](N)(CC1=CC=CN=C1)C(=O)O JZ1068 [0,1,0,0,0,1|1,0,0]=3 748 B12R1.43 [C@@H](N)(CC1=CC=NC=C1)C(=O)O XJ5319 [0,1,0,0,0,1|1,0,0]=3 749 B12R1.43 [C@H](N)(CC1=CC=CN=C1)C(=O)O JZ1594 [0,1,0,0,0,1|1,0,0]=3 750 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O XJ5318 [0,1,0,0,0,1|1,0,0]=3 751 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,0,1|1,0,0]=3 752 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,1,0,0,0,1|1,0,0]=3 753 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,1,0,0,0,1|1,0,0]=3 754 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,1,0,0,0,1|1,0,1]=4 755 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [0,1,0,0,0,1|0,0,0]=2 756 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 JZ4501 [0,1,0,0,0,1|0,0,1]=3 757 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,1,0,0,0,1|1,0,0]=3 758 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 HL0179 [0,1,0,0,0,1|1,0,1]=4 759 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [0,1,0,0,0,1|0,0,0]=2 760 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [0,1,0,0,0,1|0,0,0]=2 761 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [0,1,0,0,0,1|0,0,0]=2 762 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HL0178 [0,1,0,0,0,1|1,0,1]=4 763 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [0,1,0,0,0,1|0,0,0]=2 764 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,1,0,0,0,1|1,0,0]=3 765 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,1,0,0,0,1|0,0,0]=2 766 B12R1.125 NC1=NC=CC=C1\C=C\C(=O)O HL4608 [0,1,0,0,0,1|1,0,1]=4 767 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,1,0,0,0,1|0,0,0]=2 768 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,1,0,0,0,1|0,0,0]=2 769 B12R1.125 O=C(O)COC1=CC=CC=C1O LQ3078 [0,1,0,0,0,1|0,0,0]=2 770 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [0,1,0,0,0,1|0,0,1]=3 771 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [0,1,0,0,0,1|0,0,1]=3 772 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [0,1,0,0,0,1|0,0,1]=3 773 B12R1.226 CC(=O)\C=C\C1=CC=CC(O)=C1 RT12436 [0,1,0,0,0,1|1,0,1]=4 774 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 HL0979 [0,1,0,0,0,1|0,0,0]=2 775 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 JZ3977 [0,1,0,0,0,1|0,0,0]=2 776 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 CJ2730 [0,1,0,0,0,1|0,0,0]=2 777 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 HL1832 [0,1,0,0,0,1|0,0,0]=2 778 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 XJ5126 [0,1,0,0,0,1|0,0,1]=3 779 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 HL1833 [0,1,0,0,0,1|0,0,1]=3 780 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 JZ5420 [0,1,0,0,0,1|0,0,1]=3 781 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 YH35497 [0,1,0,0,0,1|0,0,1]=3 782 B12R1.891 CS(=O)(=S)OCC1=CC=CC=C1 RT12102 [0,1,0,0,0,1|1,1,0]=4 783 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 YH59505 [0,1,0,0,0,1|1,0,1]=4 784 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 JZ2093 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 LT3061 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 CJ3037 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 LT2917 [0,2,0,0,0,0|0,0,0]=2 788 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 LL0352 [0,2,0,0,0,0|0,0,0]=2 789 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 LT2838 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 RT11360 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 XJ4261 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 LQ2904 [0,2,0,0,0,0|0,0,0]=2 793 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 YH27802 [0,2,0,0,0,0|0,0,0]=2 794 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 XJ3973 [0,2,0,0,0,0|0,0,0]=2 795 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 HL4494 [0,2,0,0,0,0|0,0,0]=2 796 B12R1.19 CC(=O)CC1=CC=C(O)C(O)=C1 RT16870 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O RT0058 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.19 O=C(Cl)CC1=CC=C(Cl)C(Cl)=C1 XJ2380 [0,2,0,0,0,0|1,0,0]=3 799 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 YH14884 [0,2,0,0,0,0|0,0,0]=2 800 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 XJ1277 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 HL1829 [0,2,0,0,0,0|0,0,0]=2 802 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Cl)=C1 YH08292 [0,2,0,0,0,0|0,0,0]=2 803 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 LQ4793 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 LQ3474 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 LQ0515 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 JZ4316 [0,2,0,0,0,0|0,0,0]=2 807 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 JZ4317 [0,2,0,0,0,0|0,0,0]=2 808 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 LX2120 [0,2,0,0,0,0|0,0,0]=2 809 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 LQ4697 [0,2,0,0,0,0|0,0,0]=2 810 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 LQ3229 [0,2,0,0,0,0|0,0,0]=2 811 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 JZ0195 [0,2,0,0,0,0|0,0,0]=2 812 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 YH13184 [0,2,0,0,0,0|0,0,0]=2 813 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 RT5099 [0,2,0,0,0,0|0,0,0]=2 814 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 YH15246 [0,2,0,0,0,0|0,0,0]=2 815 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 YH66539 [0,2,0,0,0,0|0,0,1]=3 816 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 JZ3059 [0,2,0,0,0,0|0,0,0]=2 817 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 LL0881 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 HL1770 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 JZ4498 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 RT11186 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 YH54312 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(O)C=C1 YH54440 [0,2,0,0,0,0|0,0,0]=2 823 B12R1.49 CC1=CC=C(CC(C)C=O)C=C1 XJ5434 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 RT15818 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 XJ5486 [0,2,0,0,0,0|0,0,0]=2 826 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 YH05226 [0,2,0,0,0,0|0,0,0]=2 827 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 JZ4903 [0,2,0,0,0,0|0,0,0]=2 828 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 YH55824 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 LT7646 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Br)C=C1 LQ5260 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Cl)C=C1 XJ3180 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1C XJ4799 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.233 CC(=O)NC1=CC=C(C)C=C1Br HL0195 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.233 CC(=O)OC1=CC=C(Br)C=C1Br RT11919 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 YH00198 [0,2,0,0,0,0|0,0,0]=2 836 B12R1.233 CC1=CC=C(CC(=N)N)C(C)=C1 YH19455 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.233 NC1=CC=C(CC(=O)O)C(F)=C1 LX3277 [0,2,0,0,0,0|0,0,0]=2 838 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 YH05432 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 YH09917 [0,2,0,0,0,0|0,0,0]=2 840 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CJ2121 [0,2,0,0,0,0|0,0,0]=2 841 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 LL2528 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 YH65418 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Cl YH43718 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.233 O=C(O)CC1=CC=C(F)C=C1F LT0123 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 YH42419 [0,2,0,0,0,0|0,0,1]=3 846 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 LT5550 [0,2,0,0,0,0|0,0,1]=3 847 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 HL2426 [0,2,0,0,0,0|0,0,0]=2 848 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 LT6303 [0,2,0,0,0,0|0,0,0]=2 849 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 RT6453 [0,2,0,0,0,0|0,0,0]=2 850 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 XJ2183 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 RT1894 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 YH02322 [0,2,0,0,0,0|1,0,1]=4 853 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 JZ1254 [0,2,0,0,0,0|0,0,0]=2 854 B12R1.124 CC(=O)C(Br)C1=CC=CC=C1F RT10535 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 JZ1546 [0,2,0,0,0,0|0,0,0]=2 856 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 YH50289 [0,2,0,0,0,0|0,0,1]=3 857 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 LT3674 [0,2,0,0,0,0|0,0,0]=2 858 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 LQ3409 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.225 CC(=O)C(=O)C1=CC=CC(Cl)=C1 RT11574 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.225 CC(=O)C(O)C1=CC=CC(Cl)=C1 RT11240 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 YH16021 [0,2,0,0,0,0|0,0,0]=2 862 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 HL1768 [0,2,0,0,0,0|0,0,0]=2 863 B12R1.225 O=C(O)C(O)C1=CC=CC(O)=C1 RT6094 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 JZ4199 [0,2,0,0,0,0|0,0,0]=2 865 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 YH66305 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 YH50860 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 XJ2725 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 JZ0156 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 XJ0168 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 HL0018 [0,2,0,0,0,0|0,0,0]=2 871 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 YH66511 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 YH66648 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.32 CCOC(=O)CC1=CC=NC=C1 RT14075 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.32 CCOC(=O)CC1=NC=CC=C1 XJ2291 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 HL0709 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 LL2312 [0,2,0,0,0,0|0,0,0]=2 880 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 CJ2938 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.194 CC(C)(CC1=CC=CC=C1)NO RT3121 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 XJ3854 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.371 C=CC(=O)NC1=CC=CC=C1[Hg+] RT3262 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 YH66211 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 YH05030 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.75 COC1=CC=CC=C1CC(=O)O HL1217 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.75 COC1=CC=CC=C1NC(C)=O HL1218 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.75 N#CC1=CC=CC=C1CC(=O)O YH42495 [0,2,0,0,0,0|0,0,0]=2 890 B12R1.75 NCC1=CC=CC=C1CC(=O)O YH00265 [0,2,0,0,0,0|0,0,0]=2 891 B12R1.75 O=C(O)CC1=CC=CC=C1CCl YH97821 [0,2,0,0,0,0|0,0,0]=2 892 B12R1.127 CC(=O)NC1=C(F)C=CC(Br)=C1 YH92113 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 JZ3784 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 YH92150 [0,2,0,0,0,0|0,0,0]=2 895 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 LT0151 [0,2,0,0,0,0|0,0,0]=2 896 B12R1.127 O=C(O)CC1=CC(O)=CC=C1O RT10981 [0,2,0,0,0,0|0,0,0]=2 897 B12R1.224 CC(=O)CC1=CC=CC(Cl)=C1Cl HL3097 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.224 CC1=C(C)C(CC(=O)O)=CC=C1 RT11914 [0,2,0,0,0,0|0,0,0]=2 899 B12R1.224 O=C(O)CC1=C(F)C(Cl)=CC=C1 LL2701 [0,2,0,0,0,0|0,0,0]=2 900 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 LT0081 [0,2,0,0,0,0|0,0,0]=2 901 B12R1.224 O=C(O)CC1=CC=CC(O)=C1O RT11747 [0,2,0,0,0,0|0,0,0]=2 902 B12R1.1009 CC(=O)OC1=C(Br)C=CC=C1Br RT11908 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.1009 CC1=CC=CC(C)=C1OC(=O)O YH18931 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.1009 NC(=S)CC1=C(Cl)C=CC=C1Cl LQ4000 [0,2,0,0,0,0|1,1,0]=4 905 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F LT5975 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F LT0187 [0,2,0,0,0,0|0,0,0]=2 907 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 HL3770 [0,2,0,0,0,0|0,0,0]=2 908 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 YH04740 [0,2,0,0,0,0|0,0,0]=2 909 B12R1.101 O=C(O)CC1=CC(F)=CC(Cl)=C1 YH44494 [0,2,0,0,0,0|0,0,0]=2 910 B12R1.101 O=C(O)CC1=CC(O)=CC(O)=C1 YH02500 [0,2,0,0,0,0|0,0,0]=2 911 B12R1.438 COC1=CC(CC(=O)O)=CC=C1 XJ1952 [0,2,0,0,0,0|0,0,0]=2 912 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 LQ2202 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.438 N#CC1=NC=CC(CC(=O)O)=C1 YH03804 [0,2,0,0,0,0|1,0,0]=3 914 B10R1.66 O=C(O)CCC1=CC=CS1 LQ2957 [0,0,1,1,0,0|1,0,1]=4 915 B10R1.66 O=C(O)\C=C\C1=CC=CO1 YH06064 [0,0,1,1,0,0|1,0,1]=4 916 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|1,0,1]=4 917 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|0,0,1]=3 918 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|0,0,1]=3 919 B10R2.7 B1OC2=C(C=CC=C2)O1 LL0610 [1,0,0,1,0,0|2,0,0]=4 920 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|2,0,0]=4 921 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|2,0,0]=4 922 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|1,0,1]=4 923 B10R2.7 C1=CC2=C(C=C1)SC=C2 LT0724 [1,0,0,1,0,0|0,1,1]=4 924 B10R2.7 C1=CC2=C(C=N1)OC=C2 XJ4535 [1,0,0,1,0,0|1,0,1]=4 925 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|1,0,0]=3 926 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|1,0,1]=4 927 B10R2.7 C1=CC=C2OC=NC2=C1 LL0609 [1,0,0,1,0,0|1,0,0]=3 928 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|0,0,1]=3 929 B10R2.7 C1=CC=C2SC=CC2=C1 JZ3503 [1,0,0,1,0,0|0,1,1]=4 930 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|0,0,0]=2 931 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [0,0,0,1,0,1|1,0,0]=3 932 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [0,0,0,1,0,1|1,0,1]=4 933 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [0,0,0,1,0,1|0,0,1]=3 934 B12R2.24 O=C1C=NC2=CC=CC=C2N1 LT2094 [0,0,0,1,0,1|1,0,1]=4 935 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [0,0,0,1,0,1|2,0,0]=4 936 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [0,0,0,1,0,1|2,0,0]=4 937 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [0,0,0,1,0,1|2,0,0]=4 938 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [0,0,0,1,0,1|0,0,1]=3 939 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [0,0,0,1,0,1|1,0,1]=4 940 B12R2.24 OC1=CC2=CC=CC=C2N=C1 XJ0977 [0,0,0,1,0,1|1,0,1]=4 941 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [0,0,0,1,0,1|1,0,1]=4 942 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [0,0,0,1,0,1|1,0,1]=4 943 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 LT4982 [0,0,0,1,0,1|1,0,1]=4 944 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [0,0,0,1,0,1|0,0,0]=2 945 B12R2.606 CC1=CC=C2OC(C)=NC2=C1 LT0158 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 LT3538 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.606 ClC1=CC=C2N=C(Cl)OC2=C1 YH57053 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 XJ2501 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 LX2743 [0,1,0,1,0,0|1,0,0]=3 950 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 XJ4617 [0,1,0,1,0,0|1,0,0]=3 951 B12R2.606 NC1=NC2=CC(Br)=CC=C2O1 YH65867 [0,1,0,1,0,0|2,0,0]=4 952 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 XJ6692 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 LQ5396 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 CJ2887 [0,1,0,1,0,0|1,0,0]=3 955 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 JZ1167 [0,1,0,1,0,0|1,0,0]=3 956 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 LT3275 [0,1,0,1,0,0|1,0,0]=3 957 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 LX2841 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 YH27372 [0,1,0,1,0,0|2,0,0]=4 959 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 LT6085 [0,1,0,1,0,0|1,0,0]=3 960 B12R2.606 O=C1CC2=CC(O)=CC=C2O1 RT7759 [0,1,0,1,0,0|0,0,0]=2 961 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 LT3654 [0,1,0,1,0,0|1,0,0]=3 962 B12R2.606 O=C1CC2=CC=C(O)C=C2N1 JZ3003 [0,1,0,1,0,0|1,0,0]=3 963 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 YH33240 [0,1,0,1,0,0|2,0,0]=4 964 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 LT3533 [0,1,0,1,0,0|1,1,0]=4 965 B12R2.606 O=C1NC2=CC=C(F)C=C2S1 YH11468 [0,1,0,1,0,0|1,1,0]=4 966 B12R2.606 OC1=NC2=CC=C(Cl)C=C2S1 YH10534 [0,1,0,1,0,0|1,1,0]=4 967 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 YH47895 [0,1,0,1,0,0|1,1,0]=4 968 B12R2.606 SC1=NC2=CC=C(Cl)C=C2O1 YH47896 [0,1,0,1,0,0|1,1,0]=4 969 B12R2.18 CC1=C2C=COC=C2OC1=O RT14174 [0,1,0,1,0,0|1,0,1]=4 970 B12R2.18 CC1=NC2=CC=CC=C2C1C LT0091 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.18 CC1C(=O)NC2=C1C=CC=N2 RT15552 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [0,1,0,1,0,0|1,0,0]=3 973 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,1,0,1,0,0|1,0,1]=4 974 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,1,0,1,0,0|1,0,0]=3 975 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O JZ4790 [0,1,0,1,0,0|1,0,1]=4 976 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O YH32938 [0,1,0,1,0,0|1,0,1]=4 977 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O LT4572 [0,1,0,1,0,0|1,0,1]=4 978 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,1,0,1,0,0|1,0,1]=4 979 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [0,1,0,1,0,0|1,0,1]=4 980 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,1,0,1,0,0|1,0,1]=4 981 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [0,1,0,1,0,0|2,0,0]=4 982 B12R2.32 ICC1CC2=CC=CC=C2O1 RT9864 [0,1,0,1,0,0|1,0,1]=4 983 B12R2.32 O=CC1=CC2=CC=CC=C2S1 JZ2317 [0,1,0,1,0,0|0,1,1]=4 984 B12R2.32 O=CC1CC2=CC=CC=C2O1 LQ2632 [0,1,0,1,0,0|0,0,1]=3 985 B12R2.32 OCC1=CC2=CC=CC=C2N1 YH49153 [0,1,0,1,0,0|1,0,1]=4 986 B12R2.32 ON=C1CC2=CC=CC=C2C1 HL2501 [0,1,0,1,0,0|1,0,0]=3 987 B12R2.202 CC1=CC2=C(C1)C(Br)=CC=C2 CJ2666 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.202 CC1=CC2=C(C=CC=C2Br)C1 CJ2381 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.202 CC1=CC2=C(C=CC=C2C)C1 YH65403 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.202 CC1=CC2=C(C=CC=C2Cl)C1 LX2144 [0,1,0,1,0,0|2,0,0]=4 991 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 RT2017 [0,1,0,1,0,0|1,0,0]=3 992 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 XJ6693 [0,1,0,1,0,0|1,0,0]=3 993 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 YH65719 [0,1,0,1,0,0|1,0,0]=3 994 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 XJ4615 [0,1,0,1,0,0|1,0,0]=3 995 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 HL4002 [0,1,0,1,0,0|1,0,0]=3 996 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 JZ5699 [0,1,0,1,0,0|1,0,0]=3 997 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 XJ6214 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.202 OC1=NC2=C(Cl)C=CC=C2S1 YH58837 [0,1,0,1,0,0|1,1,0]=4 999 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [0,0,0,2,0,0|1,0,1]=4 1000 B8R1.8 OCCC1=CC=CS1 LT0210 [1,0,0,0,1,0|1,0,1]=4 1001 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [0,0,0,0,2,0|2,0,0]=4 1002 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [0,0,0,0,2,0|2,0,0]=4 1003 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [0,0,0,0,2,0|2,0,0]=4 1004 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [0,0,0,0,2,0|2,0,0]=4 1005 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [0,0,0,0,2,0|2,0,0]=4 1006 B8R1.7 O=C(Cl)C1=COC=C1 YH50424 [0,0,0,0,2,0|2,0,0]=4 1007 B8R1.7 O=C(Cl)C1=CSC=C1 YH00609 [0,0,0,0,2,0|2,0,0]=4 1008 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [0,0,0,0,2,0|1,0,0]=3 1009 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [0,0,0,0,2,0|1,0,0]=3 1010 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [0,0,0,0,2,0|1,0,0]=3 1011 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [0,0,0,0,2,0|2,0,0]=4 1012 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [0,0,0,0,2,0|2,0,0]=4 1013 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [0,0,0,0,2,0|2,0,0]=4 1014 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [0,0,0,0,2,0|2,0,0]=4 1015 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [0,0,0,0,2,0|2,0,0]=4 1016 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [0,0,0,0,2,0|1,0,0]=3 1017 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [0,0,0,0,2,0|2,0,0]=4 1018 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [0,0,0,0,2,0|2,0,0]=4 1019 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [0,0,0,0,2,0|2,0,0]=4 1020 B8R1.7 O=C(O)C1C=CC=C1 LT5432 [0,0,0,0,2,0|0,0,1]=3 1021 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [0,0,0,0,0,2|1,0,0]=3 1022 B12R1.252 CC(=O)SCCC1=NC=CC=C1 RT10486 [0,0,0,0,0,2|2,0,0]=4 1023 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [0,0,0,0,0,2|1,0,1]=4 1024 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [0,0,0,0,0,2|1,0,1]=4 1025 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 RT12380 [0,0,0,0,0,2|1,0,1]=4 1026 B12R1.252 NC(=S)NCCC1=CC=CC=C1 LQ3182 [0,0,0,0,0,2|1,1,0]=4 1027 B12R1.252 O=C(O)CCCC1=CC=CC=C1 RT12403 [0,0,0,0,0,2|0,0,0]=2 1028 B12R1.252 O=C(O)CCCC1=NC=CC=C1 YH65623 [0,0,0,0,0,2|1,0,0]=3 1029 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [0,0,0,0,0,2|0,0,0]=2 1030 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [0,0,0,0,0,2|0,0,0]=2 1031 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [0,0,0,0,0,2|0,0,0]=2 1032 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 LQ2010 [0,0,0,0,0,2|0,0,0]=2