0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 YH16676 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(C)CC1=NC=CN=C1 JZ1743 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 N=C(N)NC1=CC=CC=C1 LQ3733 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.18 N=C(N)NC1=CC=CC=C1 YH65018 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.18 S=C(Cl)CC1=CC=NC=C1 LT3199 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 CCOC1=NC=CC=C1 LT1993 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 COCC1=NC=CN=C1 LT2349 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|0,0,2]=3 46 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|0,0,2]=3 47 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 NCCC1=CC=NC=C1 YH11719 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 SCCC1=CC=NC=C1 RT10479 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 SCCC1=NC=CC=C1 RT10478 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 JZ2786 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 HL1838 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 YH18094 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 LL0348 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 XJ0481 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 RT12770 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 HL0695 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 XJ0551 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 YH54366 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 CC(=O)SC1=CC=C(I)C=C1 YH14509 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 LX2745 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 HL0415 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.20 CC(C)OC1=CC=C(N)C=C1 LQ3314 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.20 CC(N)CC1=CC=C(F)C=C1 HL1836 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.20 CC(N)CC1=CC=C(F)C=C1 LL1086 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JZ4004 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 RT3249 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 XJ4357 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 XJ0550 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 XJ1279 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 LQ3999 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 XJ2569 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 LT3063 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.20 NC1=CC=C(OC(F)F)C=C1 XJ4644 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 HL1839 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 LQ1955 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 LT3076 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 RT12785 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 HL0407 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 YH58730 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.36 CC(C1=CC=CC=C1)N(C)C XJ2195 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 JZ0158 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 LT4728 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 YH52440 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 LT6908 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 XJ2766 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 YH66089 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.36 O=[PH]([O-])C(O)C1=CC=CC=C1 RT12947 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.36 [C@H](C)(C(=O)O)C1=CC=CC=C1 JZ0854 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.40 CNC(C)CC1=CC=CN=C1 RT1972 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [0,1,0,0,0,0|1,0,2]=4 125 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.40 NNC(=O)CC1=CC=CN=C1 YH43733 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 RT9532 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.86 CC(=O)NC1=CC=CC=C1Cl LL0941 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.86 CC(=O)OC1=CC=CC=C1Br RT11882 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.86 CC(C)OC1=C(O)C=CC=C1 JZ2617 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.86 CC(C)OC1=CC=CC=C1Br JZ4107 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [0,1,0,0,0,0|0,0,0]=1 144 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.86 CC1=CC=CC=C1NC(N)=O HL0193 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.86 NC(=O)NC1=CC=CC=C1F XJ1260 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.86 NC(=S)NC1=CC=CC=C1Cl XJ2860 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.86 NC(=S)NC1=CC=CC=C1O LQ1826 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.86 NC1=CC=CC=C1OC(F)F XJ4641 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 XJ0788 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 LL0985 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 HL0043 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 LQ0740 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.157 CC(C)NC1=NC=CC(Br)=C1 RT8989 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 HL3436 [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|2,0,1]=4 163 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 YH66558 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 XJ4094 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.157 NC1=CC(OC(F)F)=CC=C1 XJ4643 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 LT3102 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 LQ1956 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 LQ1954 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 LT6766 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 LT3028 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.157 O=C(O)CC1=CC=CC(S)=C1 RT19096 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.509 CC(C)(O)CC1=CC=CC=C1 LQ0299 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 LT5528 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.509 CS(=O)(=O)SC1=CC=CC=C1 RT17788 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LL1922 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LT4179 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 LT6993 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 XJ3090 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.509 C[Si](C)(C)CC1=NC=CC=C1 YH40991 [0,1,0,0,0,0|2,1,0]=4 180 B11R1.509 ClC(Cl)(Cl)OC1=CC=CC=C1 YH56080 [0,1,0,0,0,0|3,0,0]=4 181 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [0,0,0,1,0,0|0,0,0]=1 182 B11R2.10 CC1=CC2=CC=CC=C2N1 LQ0261 [0,0,0,1,0,0|0,0,2]=3 183 B11R2.10 CC1=CC2=CC=CC=C2O1 LQ2633 [0,0,0,1,0,0|1,0,2]=4 184 B11R2.10 CC1=CC2=NC=CC=C2N1 RT4195 [0,0,0,1,0,0|1,0,2]=4 185 B11R2.10 CC1=NC2=CC=CC=C2O1 LT6591 [0,0,0,1,0,0|1,0,2]=4 186 B11R2.10 CC1=NC2=CC=CC=C2S1 LL0486 [0,0,0,1,0,0|1,0,2]=4 187 B11R2.10 CC1=NC2=CC=CC=C2[Se]1 LT1791 [0,0,0,1,0,0|1,0,2]=4 188 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 LT1106 [0,0,0,1,0,0|0,0,0]=1 189 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 LT1107 [0,0,0,1,0,0|0,0,0]=1 190 B11R2.10 NC1=CC2=C(C=CC=C2)N1 RT15983 [0,0,0,1,0,0|1,0,2]=4 191 B11R2.10 NC1=NC2=C(C=CC=C2)N1 LT6425 [0,0,0,1,0,0|2,0,1]=4 192 B11R2.10 NC1=NC2=C(C=CC=C2)S1 LL0576 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.10 NC1CC2=C(C=CC=C2)C1 HL2236 [0,0,0,1,0,0|0,0,0]=1 194 B11R2.10 NC1CC2=CC=CC=C2C1 XJ2313 [0,0,0,1,0,0|0,0,0]=1 195 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [0,0,0,1,0,0|1,0,1]=3 196 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [0,0,0,1,0,0|1,0,1]=3 197 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [0,0,0,1,0,0|2,0,1]=4 198 B11R2.10 O=C1CC2=NC=CC=C2N1 XJ5078 [0,0,0,1,0,0|2,0,1]=4 199 B11R2.10 O=C1NC2=CC=CC=C2O1 LT0282 [0,0,0,1,0,0|2,0,1]=4 200 B11R2.10 OC1CC2=CC=CC=C2C1 JZ0698 [0,0,0,1,0,0|1,0,0]=2 201 B11R2.10 SC1=NC2=CC=CC=C2N1 RT9298 [0,0,0,1,0,0|2,0,1]=4 202 B11R2.10 SC1NC2=C(C=CC=C2)N1 LQ5320 [0,0,0,1,0,0|2,0,0]=3 203 B11R2.10 [S-]C1=NC2=CC=CC=C2N1 XJ2390 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [0,0,0,1,0,0|2,0,0]=3 205 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [0,0,0,0,1,0|1,0,1]=3 206 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [0,0,0,0,1,0|1,0,1]=3 207 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [0,0,0,0,1,0|2,0,1]=4 208 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [0,0,0,0,1,0|2,0,1]=4 209 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [0,0,0,0,1,0|1,0,0]=2 210 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [0,0,0,0,1,0|3,0,0]=4 211 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [0,0,0,0,1,0|0,0,0]=1 212 B9R1.6 CC(O)C1=CN=CN=C1 RT9947 [0,0,0,0,1,0|3,0,0]=4 213 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [0,0,0,0,1,0|3,0,0]=4 215 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [0,0,0,0,1,0|1,0,0]=2 216 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [0,0,0,0,1,0|1,0,0]=2 217 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [0,0,0,0,1,0|0,0,0]=1 218 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [0,0,0,0,1,0|1,0,0]=2 219 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [0,0,0,0,1,0|2,0,0]=3 220 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [0,0,0,0,1,0|0,0,0]=1 221 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [0,0,0,0,1,0|1,1,0]=3 222 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [0,0,0,0,1,0|2,0,0]=3 223 B9R1.6 ClP(Cl)C1=CC=CC=C1 JZ4097 [0,0,0,0,1,0|3,0,0]=4 224 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 YH96399 [0,0,0,0,1,0|3,0,0]=4 225 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [0,0,0,0,1,0|1,0,1]=3 226 B9R1.6 N=C(N)C1=CC=NC=C1 JZ2903 [0,0,0,0,1,0|2,0,1]=4 227 B9R1.6 N=C(N)C1=CC=NC=C1 YH55019 [0,0,0,0,1,0|2,0,1]=4 228 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [0,0,0,0,1,0|1,0,1]=3 229 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [0,0,0,0,1,0|1,0,1]=3 230 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [0,0,0,0,1,0|2,0,1]=4 231 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [0,0,0,0,1,0|2,0,1]=4 232 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [0,0,0,0,1,0|1,0,1]=3 233 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [0,0,0,0,1,0|2,0,1]=4 234 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [0,0,0,0,1,0|2,0,1]=4 235 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [0,0,0,0,1,0|2,0,1]=4 236 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [0,0,0,0,1,0|2,0,1]=4 237 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [0,0,0,0,1,0|2,0,1]=4 238 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [0,0,0,0,1,0|2,0,1]=4 239 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [0,0,0,0,1,0|2,0,1]=4 240 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [0,0,0,0,1,0|3,0,0]=4 241 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [0,0,0,0,1,0|3,0,0]=4 242 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [0,0,0,0,1,0|3,0,0]=4 243 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [0,0,0,0,1,0|3,0,0]=4 244 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [0,0,0,0,1,0|2,0,1]=4 246 B9R1.6 [SiH](Cl)(Cl)C1=CC=CC=C1 HL0912 [0,0,0,0,1,0|2,1,0]=4 247 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [0,0,0,0,1,0|2,0,1]=4 248 B9R1.13 CC(C)CC1=NC=CS1 JZ1045 [0,0,0,0,1,0|3,0,0]=4 249 B9R1.13 NC(=O)CC1=CC=CS1 XJ2712 [0,0,0,0,1,0|2,0,1]=4 250 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [0,0,0,0,0,1|1,0,1]=3 251 B11R1.91 CC(=O)C#CC1=CC=CC=C1 XJ1968 [0,0,0,0,0,1|1,0,2]=4 252 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,0,0,0,0,1|1,0,1]=3 253 B11R1.91 CC(=O)NNC1=CC=CC=C1 HL1438 [0,0,0,0,0,1|2,0,1]=4 254 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,0,0,0,0,1|0,0,0]=1 255 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [0,0,0,0,0,1|1,0,0]=2 256 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [0,0,0,0,0,1|1,0,0]=2 257 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [0,0,0,0,0,1|3,0,0]=4 258 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [0,0,0,0,0,1|3,0,0]=4 259 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,0,0,0,0,1|1,0,1]=3 260 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [0,0,0,0,0,1|1,0,1]=3 261 B11R1.91 NC(=O)NNC1=CC=CC=C1 LL0305 [0,0,0,0,0,1|2,0,1]=4 262 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,0,0,0,0,1|1,0,1]=3 263 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [0,0,0,0,0,1|1,0,2]=4 264 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,0,0,0,0,1|1,0,1]=3 265 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,0,0,0,0,1|2,0,1]=4 266 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,0,0,0,0,1|2,0,1]=4 267 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.4 CCC\C=C\C=C\C=O LT5073 [1,0,1,0,0,0|1,0,0]=3 269 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,2]=4 275 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 CNC1=CC=CN=C1 LT2493 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 COC1=CC=CN=C1 LT6817 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|0,0,2]=4 289 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|0,0,2]=4 290 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|0,0,0]=2 291 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 NCC1=NC=CC=N1 YH17523 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 NCC1=NC=CN=C1 YH58835 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|1,0,0]=3 298 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.2 NNC1=CC=CN=C1 YH00904 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 NNC1=CC=CN=C1 YH12082 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 NNC1=CC=CN=C1 YH57193 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 310 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [1,1,0,0,0,0|0,0,2]=4 312 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.1 CCOC1=CC=C(Br)C=N1 LQ5337 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 CCOC1=CN=C(Cl)C=C1 LX1903 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.1 CCOC1=NC=C(N)C=C1 YH04966 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.1 CNCC1=CC=C(Cl)N=C1 RT2410 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [1,1,0,0,0,0|0,0,2]=4 328 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [1,1,0,0,0,0|0,0,2]=4 329 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [1,1,0,0,0,0|0,0,2]=4 330 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [1,1,0,0,0,0|0,0,2]=4 331 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [1,1,0,0,0,0|0,0,2]=4 332 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|0,0,0]=2 333 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|0,0,0]=2 334 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|0,0,0]=2 335 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|0,0,0]=2 337 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [1,1,0,0,0,0|0,0,2]=4 344 B10R1.4 CC1=NC=CC=C1CCO RT8739 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.4 CCOC1=CC=CN=C1Br YH94023 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.4 CCOC1=CC=CN=C1N YH20158 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.4 CCOC1=NC=CC=C1I LT3940 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [1,1,0,0,0,0|0,0,2]=4 354 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [1,1,0,0,0,0|0,0,2]=4 355 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [1,1,0,0,0,0|0,0,2]=4 356 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [1,1,0,0,0,0|0,0,2]=4 357 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [1,1,0,0,0,0|0,0,2]=4 358 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,1,0,0,0,0|0,0,0]=2 361 B10R1.4 NCCN1C=CC=CC1=O YH56675 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.10 CCOC1=CC(Br)=CN=C1 YH39559 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.10 CCOC1=CC(F)=NC=C1 LX3150 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.10 CCOC1=CC=NC(N)=C1 XJ5598 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.10 CCOC1=CN=CC(N)=C1 LX2438 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [1,1,0,0,0,0|0,0,2]=4 380 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,1,0,0,0,0|0,0,2]=4 383 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.15 CCC(C)C1=NC=CN=C1 JZ1742 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [1,1,0,0,0,0|0,0,2]=4 402 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,1,0,0,0,0|0,0,1]=3 403 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [1,1,0,0,0,0|0,0,2]=4 415 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [1,1,0,0,0,0|0,0,1]=3 416 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [1,1,0,0,0,0|0,0,1]=3 418 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,1,0,0,0,0|0,0,1]=3 419 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,1,0,0,0,0|0,0,0]=2 431 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [1,1,0,0,0,0|0,0,2]=4 434 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [1,1,0,0,0,0|0,0,2]=4 435 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [1,1,0,0,0,0|0,0,1]=3 436 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [1,1,0,0,0,0|0,0,2]=4 440 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [0,1,0,0,1,0|1,0,1]=4 447 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [0,1,0,0,1,0|1,0,1]=4 448 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [0,1,0,0,1,0|1,0,1]=4 449 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [0,1,0,0,1,0|1,0,1]=4 450 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [0,1,0,0,1,0|1,0,1]=4 451 B10R1.13 CC(C)C1=CC=C(Br)C=C1 XJ1042 [0,1,0,0,1,0|1,0,0]=3 452 B10R1.13 CC(C)C1=CC=C(N)C=N1 YH00023 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.13 CC(N)C1=CC=C(Br)C=C1 YH48936 [0,1,0,0,1,0|0,0,0]=2 454 B10R1.13 CC(N)C1=NC=C(F)C=C1 SY0015 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.13 CC(O)C1=CC=C(F)C=C1 LQ0797 [0,1,0,0,1,0|1,0,0]=3 456 B10R1.13 CC1=CC=C(C(C)C)C=C1 XJ5623 [0,1,0,0,1,0|1,0,0]=3 457 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [0,1,0,0,1,0|0,0,0]=2 458 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [0,1,0,0,1,0|1,0,0]=3 459 B10R1.13 CC1=CC=C(C(C)O)C=N1 RT2394 [0,1,0,0,1,0|2,0,0]=4 460 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [0,1,0,0,1,0|1,0,1]=4 461 B10R1.13 CC1=CC=C(N(C)C)C=C1 YH99046 [0,1,0,0,1,0|2,0,0]=4 462 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [0,1,0,0,1,0|2,0,0]=4 463 B10R1.13 CC1=NC=C(C(C)N)C=N1 RT2400 [0,1,0,0,1,0|2,0,0]=4 464 B10R1.13 CN(C)C1=CC=C(Br)C=C1 LT2750 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.13 CN(C)C1=CC=C(N)C=C1 HL1305 [0,1,0,0,1,0|2,0,0]=4 466 B10R1.13 CN(C)C1=CC=C(N)C=C1 LL0967 [0,1,0,0,1,0|2,0,0]=4 467 B10R1.13 CN(C)C1=CC=C(N)C=C1 LQ4413 [0,1,0,0,1,0|2,0,0]=4 468 B10R1.13 CN(C)C1=CC=C(N)C=C1 XJ3077 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 LQ5152 [0,1,0,0,1,0|0,0,0]=2 470 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 YH17516 [0,1,0,0,1,0|0,0,0]=2 471 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 XJ4897 [0,1,0,0,1,0|0,0,0]=2 472 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=C1 LT3445 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [0,1,0,0,1,0|1,0,1]=4 474 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HL2287 [0,1,0,0,1,0|1,0,1]=4 475 B10R1.13 N=C(N)C1=CC=C(N)C=C1 JZ3229 [0,1,0,0,1,0|1,0,1]=4 476 B10R1.13 N=C(N)C1=CC=C(O)C=C1 LT2008 [0,1,0,0,1,0|1,0,1]=4 477 B10R1.13 N=C(N)C1=CC=C(O)C=C1 YH36971 [0,1,0,0,1,0|1,0,1]=4 478 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [0,1,0,0,1,0|1,0,1]=4 479 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [0,1,0,0,1,0|1,0,1]=4 480 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [0,1,0,0,1,0|1,0,1]=4 481 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [0,1,0,0,1,0|1,0,1]=4 483 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [0,1,0,0,1,0|1,0,1]=4 484 B10R1.28 CC(C)(C)C1=CC=CC=C1 XJ0222 [0,1,0,0,1,0|1,0,0]=3 485 B10R1.28 CC(C)(N)C1=CC=CC=C1 XJ1030 [0,1,0,0,1,0|0,0,0]=2 486 B10R1.28 CC(C)(N)C1=CN=CC=C1 YH99047 [0,1,0,0,1,0|1,0,0]=3 487 B10R1.28 CC(C)(O)C1=CC=CC=C1 LQ1212 [0,1,0,0,1,0|1,0,0]=3 488 B10R1.28 CC(C)(S)C1=CC=CC=C1 YH38274 [0,1,0,0,1,0|1,0,0]=3 489 B10R1.28 CP(=O)(Cl)C1=CC=CC=C1 XJ2994 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 LQ2383 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HL2720 [0,1,0,0,1,0|2,0,0]=4 492 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 HL0392 [0,1,0,0,1,0|1,1,0]=4 493 B10R1.28 C[Si](C)(O)C1=CC=CC=C1 JZ2662 [0,1,0,0,1,0|1,1,0]=4 494 B10R1.28 C[Si](C)([O-])C1=CC=CC=C1 LQ3287 [0,1,0,0,1,0|1,1,0]=4 495 B10R1.28 FC(F)(F)C1=CC=CC=C1 YH98647 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [0,1,0,0,1,0|1,0,1]=4 497 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [0,1,0,0,1,0|1,0,1]=4 498 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [0,1,0,0,1,0|1,0,1]=4 499 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [0,1,0,0,1,0|1,0,1]=4 500 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [0,1,0,0,1,0|1,0,1]=4 501 B10R1.61 CC(C)C1=C(Br)C=CC=C1 XJ3244 [0,1,0,0,1,0|1,0,0]=3 502 B10R1.61 CC(C)C1=C(N)C=CC=C1 JZ4085 [0,1,0,0,1,0|1,0,0]=3 503 B10R1.61 CC(C)C1=C(O)C=CC=C1 LL0172 [0,1,0,0,1,0|1,0,0]=3 504 B10R1.61 CC(N)C1=CC=CC=C1O YH66634 [0,1,0,0,1,0|0,0,0]=2 505 B10R1.61 CC(N)C1=NC=CC=C1N RT2322 [0,1,0,0,1,0|1,0,0]=3 506 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [0,1,0,0,1,0|1,0,0]=3 507 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 LT3220 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [0,1,0,0,1,0|2,0,0]=4 509 B10R1.61 CN(C)C1=CC=CC=C1Cl LQ1380 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.61 C[C@@H](N)C1=CC=CC=C1O YH29387 [0,1,0,0,1,0|0,0,0]=2 511 B10R1.61 C[C@@H](N)C1=NC=CC=C1F RT1757 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.61 C[C@H](N)C1=NC=CC=C1F RT1756 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.61 N=C(N)C1=C(O)C=CC=C1 YH65820 [0,1,0,0,1,0|1,0,1]=4 514 B10R1.61 NC(=O)C1=CC=CC=C1N LL0171 [0,1,0,0,1,0|1,0,1]=4 515 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [0,1,0,0,1,0|1,0,1]=4 516 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [0,1,0,0,1,0|1,0,1]=4 517 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [0,1,0,0,1,0|1,0,1]=4 518 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [0,1,0,0,1,0|1,0,1]=4 519 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [0,1,0,0,1,0|1,0,1]=4 520 B10R1.113 CC(C)C1=CC(Br)=CC=C1 HL2984 [0,1,0,0,1,0|1,0,0]=3 521 B10R1.113 CC(C)C1=CC(O)=CC=C1 RT10578 [0,1,0,0,1,0|1,0,0]=3 522 B10R1.113 CC(C)C1=CC=CC(N)=C1 XJ2891 [0,1,0,0,1,0|1,0,0]=3 523 B10R1.113 CC(C)C1=CC=CC(N)=N1 YH18705 [0,1,0,0,1,0|2,0,0]=4 524 B10R1.113 CC(C)C1=NC(Cl)=CC=C1 YH27840 [0,1,0,0,1,0|2,0,0]=4 525 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 RT2925 [0,1,0,0,1,0|0,0,0]=2 526 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 JZ3057 [0,1,0,0,1,0|1,0,0]=3 527 B10R1.113 CC(O)C1=CC=CC(N)=C1 XJ2202 [0,1,0,0,1,0|1,0,0]=3 528 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [0,1,0,0,1,0|1,0,1]=4 529 B10R1.113 CC1=CC(N(C)C)=CC=C1 LL0511 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.113 CC1=CC=CC(C(Cl)Cl)=C1 LT3221 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.113 N=C(N)C1=CC=CC(F)=C1 XJ6333 [0,1,0,0,1,0|1,0,1]=4 532 B10R1.113 N=C(N)C1=CC=CC(N)=C1 LT2228 [0,1,0,0,1,0|1,0,1]=4 533 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [0,1,0,0,1,0|1,0,1]=4 534 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [0,1,0,0,1,0|1,0,1]=4 535 B10R1.27 CNC(C)CC1=CC=CS1 RT4640 [0,1,0,0,1,0|1,0,0]=3 536 B10R1.27 CNC(C)CC1=CSC=C1 RT2220 [0,1,0,0,1,0|1,0,0]=3 537 B10R1.27 N[C@H](CO)CC1=CNC=N1 XJ1824 [0,1,0,0,1,0|2,0,0]=4 538 B12R1.21 CC(N)CCC1=CC=C(O)C=C1 RT3075 [0,1,0,0,0,1|0,0,0]=2 539 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [0,1,0,0,0,1|1,0,0]=3 540 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [0,1,0,0,0,1|1,0,0]=3 541 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 HL1964 [0,1,0,0,0,1|1,0,1]=4 542 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [0,1,0,0,0,1|1,0,1]=4 543 B12R1.27 COC(=O)OCC1=CC=CC=C1 RT11038 [0,1,0,0,0,1|1,0,1]=4 544 B12R1.27 NCC(=O)OCC1=CC=CC=C1 JZ4757 [0,1,0,0,0,1|1,0,1]=4 545 B12R1.27 NCC(=O)OCC1=CC=CC=C1 RT5531 [0,1,0,0,0,1|1,0,1]=4 546 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 YH49901 [0,1,0,0,0,1|1,0,1]=4 547 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 XJ0546 [0,1,0,0,0,1|1,0,1]=4 548 B12R1.27 O=C(CO)OCC1=CC=CC=C1 RT12484 [0,1,0,0,0,1|1,0,1]=4 549 B12R1.27 OCC(O)COC1=CC=CC=C1 LT3080 [0,1,0,0,0,1|1,0,0]=3 550 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 JZ2645 [0,1,0,0,0,1|1,0,1]=4 551 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 RT6536 [0,1,0,0,0,1|1,0,1]=4 552 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,0,1|1,0,1]=4 553 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,1,0,0,0,1|1,0,1]=4 554 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,1,0,0,0,1|1,0,1]=4 555 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,1,0,0,0,1|1,0,1]=4 556 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,1,0,0,0,1|1,0,1]=4 557 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 LT7365 [0,1,0,0,0,1|1,0,0]=3 558 B12R1.891 CC(C)(C)NSC1=CC=CC=C1 JZ5296 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.891 CS(=O)(=S)OCC1=CC=CC=C1 RT12102 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.4 C=CC1=CC=C(CC(C)C)C=C1 RT11097 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 LQ4143 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 LT2838 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.19 CC(=O)CC1=CC=C(O)C(O)=C1 RT16870 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 YH65724 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 LT5084 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.20 CC1=CC=C(C(=O)C(C)Cl)C=C1 YH47530 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.49 CC1=CC=C(CC(C)C=O)C=C1 XJ5434 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 XJ5486 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 YH05226 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 JZ4903 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 YH55824 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 LT7646 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.106 CC(C)(C)OC1=CC=C(Cl)C=C1 LQ4159 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.233 CC1=CC=C(CC(=N)N)C(C)=C1 YH19455 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.34 C(C)(NC)[C@H](O)C1=CC=CC=C1 LT5056 [0,2,0,0,0,0|0,0,0]=2 576 B12R1.34 CCC(Br)C(=O)C1=CC=CC=C1 RT12924 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 LT4944 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 HL2426 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 LT6303 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 RT6453 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 XJ2183 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 RT1894 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 YH02322 [0,2,0,0,0,0|0,0,0]=2 584 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 JZ1254 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.124 CC(=O)C(Br)C1=CC=CC=C1F RT10535 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.225 CC(=O)C(O)C1=CC=CC(Cl)=C1 RT11240 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.225 CC(Br)C(=O)C1=CC(Cl)=CC=C1 RT6232 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C RT3091 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.225 CC(O)C(=O)C1=CC=CC(Cl)=C1 RT10521 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C YH65470 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.225 C[C@@H](O)C(=O)C1=CC=CC(Cl)=C1 RT10950 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.225 C[C@H](O)C(=O)C1=CC=CC(Cl)=C1 RT10949 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 XJ2725 [0,2,0,0,0,0|1,0,1]=4 594 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 RT1838 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 XJ0168 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 JZ4208 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 LT1748 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 YH66511 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.564 CC(C)(O)[C@@H](N)C1=CC=CC=C1 YH66648 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.32 C#CCN(C)CC1=CC=CC=C1 JZ0623 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 LL2312 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.118 CCN(CC)CC1=CC=CC=C1 HL0428 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.118 N#CC(C#N)CC1=CC=CC=C1 HL2043 [0,2,0,0,0,0|0,0,2]=4 606 B12R1.194 CC(C)(CC1=CC=CC=C1)NO RT3121 [0,2,0,0,0,0|0,0,0]=2 607 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 XJ3854 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 RT3481 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 YH05030 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.127 CC(C)OC1=CC(Cl)=CC=C1N YH98863 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.151 CC1=CC=CC=C1CC(C)(C)N YH66668 [0,2,0,0,0,0|0,0,0]=2 612 B12R1.224 CC(=O)CC1=CC=CC(Cl)=C1Cl HL3097 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.1009 NC(=S)CC1=C(Cl)C=CC=C1Cl LQ4000 [0,2,0,0,0,0|1,0,1]=4 614 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|0,0,0]=2 615 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|1,0,0]=3 616 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|1,0,0]=3 617 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|1,0,0]=3 618 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|1,0,0]=3 619 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|0,0,2]=4 620 B10R2.7 C1=CC2=C(C=C1)NN=N2 LQ0258 [1,0,0,1,0,0|2,0,0]=4 621 B10R2.7 C1=CC2=C(CNC2)N=C1 YH35533 [1,0,0,1,0,0|2,0,0]=4 622 B10R2.7 C1=CC2=NCCN2C=C1 RT2480 [1,0,0,1,0,0|1,0,1]=4 623 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|0,0,2]=4 624 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|0,0,0]=2 625 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|1,0,1]=4 626 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|1,0,0]=3 627 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [1,0,0,1,0,0|1,0,0]=3 628 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [1,0,0,1,0,0|1,0,0]=3 629 B10R2.7 C1=CN=C2CNCC2=C1 YH35531 [1,0,0,1,0,0|2,0,0]=4 630 B10R2.7 C1=CN=C2CNCC2=C1 YH44941 [1,0,0,1,0,0|2,0,0]=4 631 B10R2.7 C1=NC=C2CNCC2=C1 YH03382 [1,0,0,1,0,0|2,0,0]=4 632 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|1,0,1]=4 633 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [0,0,0,1,0,1|1,0,1]=4 634 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,0,0,1,0,1|0,0,0]=2 635 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)N1 LT1109 [0,0,0,1,0,1|0,0,0]=2 636 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)N1 LT1108 [0,0,0,1,0,1|0,0,0]=2 637 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,0,0,1,0,1|0,0,0]=2 638 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,0,0,1,0,1|0,0,0]=2 639 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,0,0,1,0,1|0,0,0]=2 640 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,0,0,1,0,1|0,0,0]=2 641 B12R2.92 CC1(C)CC1C2=CC=CC=C2 LQ3308 [0,0,0,1,0,1|1,0,0]=3 642 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 LT4982 [0,0,0,1,0,1|1,0,0]=3 643 B12R2.79 NC1CC1C2=CC=C(F)C=C2 RT3576 [0,1,0,1,0,0|0,0,0]=2 644 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 RT3436 [0,1,0,1,0,0|0,0,0]=2 645 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 JZ4489 [0,1,0,1,0,0|0,0,2]=4 646 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 JZ4380 [0,1,0,1,0,0|0,0,2]=4 647 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 LQ0751 [0,1,0,1,0,0|0,0,2]=4 648 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 JZ3731 [0,1,0,1,0,0|0,0,2]=4 649 B12R2.606 CC1=CC2=CC(N)=CC=C2N1 LT5845 [0,1,0,1,0,0|0,0,2]=4 650 B12R2.606 CC1=NC2=CC=C(I)C=C2N1 YH66367 [0,1,0,1,0,0|1,0,1]=4 651 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 LX2743 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 XJ4617 [0,1,0,1,0,0|1,0,1]=4 653 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 XJ6692 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 LQ5396 [0,1,0,1,0,0|1,0,1]=4 655 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 CJ2887 [0,1,0,1,0,0|1,0,1]=4 656 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 JZ1167 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 LT3275 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 LT6085 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 LT3654 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.606 O=C1CC2=CC=C(O)C=C2N1 JZ3003 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.18 CC1=NC2=CC=CC=C2C1C LT0091 [0,1,0,1,0,0|0,0,2]=4 662 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.18 CC1CC2=C(C=CC=C2)N1N HL3135 [0,1,0,1,0,0|0,0,0]=2 664 B12R2.18 CC1CC2=C(C=CC=C2)N1N LQ4728 [0,1,0,1,0,0|0,0,0]=2 665 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,1,0,1,0,0|1,0,0]=3 666 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O JZ4790 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O YH32938 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O LT4572 [0,1,0,1,0,0|1,0,0]=3 670 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,1,0,1,0,0|1,0,1]=4 671 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,1,0,1,0,0|1,0,0]=3 672 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 LQ2435 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 LQ2500 [0,1,0,1,0,0|0,0,2]=4 675 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 YH42114 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.32 ICC1CC2=CC=CC=C2O1 RT9864 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.32 NCC1=NC2=CC=CC=C2N1 LQ3005 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.32 O=CC1CC2=CC=CC=C2O1 LQ2632 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.32 OCC1=CC2=CC=CC=C2N1 YH49153 [0,1,0,1,0,0|0,0,2]=4 680 B12R2.32 ON=C1CC2=CC=CC=C2C1 HL2501 [0,1,0,1,0,0|0,0,2]=4 681 B12R2.202 CC1=CC2=C(C1)C(Br)=CC=C2 CJ2666 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.202 CC1=CC2=C(C=CC=C2Br)C1 CJ2381 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.202 CC1=CC2=C(C=CC=C2C)C1 YH65403 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.202 CC1=CC2=C(C=CC=C2Cl)C1 LX2144 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 LT5867 [0,1,0,1,0,0|0,0,2]=4 686 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 XJ6693 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 YH65719 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 XJ4615 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 HL4002 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 JZ5699 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 XJ6214 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 LX3278 [0,1,0,1,0,0|0,0,0]=2 693 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [0,0,0,2,0,0|1,0,0]=3 694 B8R1.8 CSCC1=CC=CO1 LT5048 [1,0,0,0,1,0|2,0,0]=4 695 B8R1.8 NCCC1=CC=NN1 RT1410 [1,0,0,0,1,0|2,0,0]=4 696 B8R1.8 NCCC1=CNC=N1 HL1018 [1,0,0,0,1,0|2,0,0]=4 697 B8R1.8 NCCC1=CNC=N1 LQ0056 [1,0,0,0,1,0|2,0,0]=4 698 B8R1.8 NCCN1C=CN=C1 XJ2978 [1,0,0,0,1,0|2,0,0]=4 699 B8R1.8 OCCC1=CC=CS1 LT0210 [1,0,0,0,1,0|2,0,0]=4 700 B8R1.7 CC(C)C1=CC=CO1 JZ3469 [0,0,0,0,2,0|2,0,0]=4 701 B8R1.7 CC(N)C1=CN=CO1 RT14536 [0,0,0,0,2,0|2,0,0]=4 702 B8R1.7 C[C@@H](N)C1=CC=CO1 RT3868 [0,0,0,0,2,0|1,0,0]=3 703 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [0,0,0,0,0,2|1,0,1]=4 704 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [0,0,0,0,0,2|1,0,0]=3 705 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [0,0,0,0,0,2|1,0,0]=3 706 B12R1.252 NC(=S)NCCC1=CC=CC=C1 LQ3182 [0,0,0,0,0,2|1,0,1]=4