0 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.61 CC(=O)C1=CC=CN=C1C YH39691 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 CC(=O)C1=CC=CN=C1Cl YH07033 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC(=O)C1=CC=CN=C1N YH12193 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.61 CC(=O)C1=NC=CC=C1F YH65591 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 CC(=O)C1=NC=CN=C1C XJ4743 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 CC(C)C1=C(Br)C=CC=C1 XJ3244 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 CC(C)C1=C(N)C=CC=C1 JZ4085 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 CC(C)C1=C(O)C=CC=C1 LL0172 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.61 CC(N)C1=CC=CC=C1O YH66634 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.61 CC(N)C1=NC=CC=C1N RT2322 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.61 CC1=C(C(=O)O)C=CC=C1 LQ0494 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.61 CC1=C(C(=O)O)C=CN=C1 RT9406 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.61 CC1=C(C(=O)O)C=NC=N1 HL3596 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 LT3220 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 LQ1883 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 HL3039 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.61 CC1=CC=CC=C1B(O)O LT6617 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.61 CC1=CC=CC=C1C(=O)Cl JZ4285 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 CC1=CC=CN=C1C(=O)O LT5691 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] XJ4442 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.61 CC1=NC=CC=C1C(=O)O JZ2271 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] JZ1050 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.61 CC1=NC=CN=C1C(=O)O YH00415 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.61 CN(C)C1=CC=CC=C1Cl LQ1380 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.61 C[C@@H](N)C1=CC=CC=C1O YH29387 [0,0,0,0,0,0|1,0,1]=2 32 B10R1.61 C[C@@H](N)C1=NC=CC=C1F RT1757 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.61 C[C@H](N)C1=NC=CC=C1F RT1756 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] RT7788 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.61 N=C(N)C1=C(O)C=CC=C1 YH65820 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.61 NC(=O)C1=C(N)C=CN=C1 YH16594 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.61 NC(=O)C1=CC=CC=C1N LL0171 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.61 NC(=O)C1=NC=CC=C1N XJ5526 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.61 NC1=C(C(=O)O)C=CC=C1 LT0272 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.61 NC1=C(C(=O)O)C=CN=C1 YH17177 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.61 NC1=C(C(=O)O)C=NC=C1 JZ3131 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 LQ1898 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.61 NC1=CC=CC=C1B(O)O LT0279 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.61 NC1=CC=CN=C1C(=O)O HL0849 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.61 NC1=CC=CN=C1[N+](=O)[O-] JZ3711 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.61 NC1=NC=CN=C1C(=O)O LT6716 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 RT7792 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 JZ1033 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 XJ1083 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl LT2133 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 LQ0495 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 XJ3548 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.61 O=C(O)C1=C(Cl)N=CC=N1 XJ4919 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.61 O=C(O)C1=C(F)C=CN=C1 LX2749 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.61 O=C(O)C1=C(F)C=NC=C1 HL1748 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.61 O=C(O)C1=C(I)C=CC=C1 LT6566 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.61 O=C(O)C1=C(O)C=CC=C1 RT10607 [0,0,0,0,0,0|1,0,0]=1 58 B10R1.61 O=C(O)C1=C(O)C=CN=C1 XJ1084 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.61 O=C(O)C1=CC=CC=C1Br LL0169 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.61 O=C(O)C1=CC=CC=C1S LQ3223 [0,0,0,0,0,0|1,1,0]=2 61 B10R1.61 O=C(O)C1=CC=CC=C1[O-] LQ0966 [0,0,0,0,0,0|1,0,1]=2 62 B10R1.61 O=C(O)C1=CC=CN=C1Cl LT6516 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.61 O=C(O)C1=CC=CN=C1F HL1749 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.61 O=C(O)C1=CN=CC=C1Br YH36635 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.61 O=C(O)C1=NC=CC=C1Br RT15189 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.61 O=C(O)C1=NC=CC=C1Cl XJ5804 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.61 O=C(O)C1=NC=CC=C1F YH36326 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.61 O=C(O)C1=NC=CC=C1O XJ1437 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.61 O=C(O)C1=NC=CC=C1S RT16346 [0,0,0,0,0,0|2,1,0]=3 70 B10R1.61 O=C(O)C1=NC=CN=C1O YH65414 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.61 O=C([O-])C1=CC=CC=C1O HL0014 [0,0,0,0,0,0|1,0,0]=1 72 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ3839 [0,0,0,0,0,0|1,0,0]=1 73 B10R1.61 O=C([O-])C1=CC=CC=C1O JZ5006 [0,0,0,0,0,0|1,0,0]=1 74 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ0967 [0,0,0,0,0,0|1,0,0]=1 75 B10R1.61 O=C([O-])C1=CC=CC=C1O LQ4134 [0,0,0,0,0,0|1,0,0]=1 76 B10R1.61 O=C([O-])C1=CC=CC=C1[O-] LL1063 [0,0,0,0,0,0|1,0,1]=2 77 B10R1.61 O=C([O-])C1=NC=CC=C1Br RT16520 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.61 O=C1C=CNC=C1[N+](=O)[O-] JZ1129 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.61 O=N(=O)C1=CC=CC=C1O LL0174 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 JZ3833 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 LL0173 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 LQ3593 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 RT12368 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=N1 LT5883 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 LX3221 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 XJ1086 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.61 O=[N+]([O-])C1=C(I)C=NC=C1 YH93729 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.61 O=[N+]([O-])C1=C(O)N=CC=C1 LT1881 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.61 O=[N+]([O-])C1=C(S)C=CC=C1 YH03191 [0,0,0,0,0,0|2,1,0]=3 90 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] LQ1488 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.61 O=[N+]([O-])C1=CC=CN=C1F HL0872 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.61 O=[N+]([O-])C1=CN=CC=C1O LT2633 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Br LT3410 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.61 O=[N+]([O-])C1=NC=CC=C1Cl YH06250 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.61 O=[N+]([O-])C1=NC=CC=C1I YH06251 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O LT1801 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 LT1715 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.61 OB(O)C1=C(F)C=CC=C1 XJ1970 [0,0,0,0,0,0|3,0,1]=4 99 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.6 CC(=O)C1=CN=CN=C1 RT1973 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.6 CC(=O)C1=NC=CC=N1 YH05694 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [1,0,0,0,0,0|1,1,0]=3 113 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.6 ClP(Cl)C1=CC=CC=C1 JZ4097 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 YH96399 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.6 N=C(N)C1=CC=NC=C1 JZ2903 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.6 N=C(N)C1=CC=NC=C1 YH55019 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.6 N=C(N)C1=NC=CC=N1 LQ5148 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.6 N=C(N)C1=NC=CN=C1 HL3481 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [1,0,0,0,0,0|0,0,0]=1 122 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [1,0,0,0,0,0|0,0,0]=1 123 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [1,0,0,0,0,0|1,0,0]=2 124 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [1,0,0,0,0,0|0,1,0]=2 126 B9R1.6 O=C(Cl)C1=CC=CN=C1 JZ0788 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.6 O=C(Cl)C1=CC=CN=C1 LT7313 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.6 O=C(Cl)C1=CN=CC=N1 YH43954 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.6 O=C(Cl)C1=NC=CC=C1 LT5112 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.6 O=C(O)C1=CN=CN=C1 JZ0399 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.6 O=C(O)C1=CN=NC=C1 XJ5546 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.6 O=C([O-])C1=CN=CC=C1 LL1069 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.6 O=C([O-])C1=CN=CC=C1 LQ0027 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.6 O=C([O-])C1=NC=CC=C1 JZ5244 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.6 O=C([O-])C1=NC=CC=C1 LQ3798 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 LQ2210 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [1,0,0,0,0,0|1,0,0]=2 156 B9R1.6 [SiH](Cl)(Cl)C1=CC=CC=C1 HL0912 [1,0,0,0,0,0|2,1,0]=4 157 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.15 C#CC1=C(Br)C=CC=C1 SY0117 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.15 C#CC1=C(Cl)C=CC=C1 XJ1422 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.15 C#CC1=C(F)C=CC=C1 SY0296 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.15 C#CC1=CC=CC=C1C SY0118 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.15 C#CC1=CC=CC=C1N XJ5657 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.15 C(=O)C1=C(Br)C=CC=N1 YH00040 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.15 C(=O)C1=C(Cl)C=CC=C1 XJ0153 [1,0,0,0,0,0|1,0,0]=2 166 B9R1.15 C(=O)C1=C(F)C=CC=C1 LT6545 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.15 C(=O)C1=CN=CC=C1Br YH36722 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.15 C(=O)C1=CN=CC=C1Cl YH25552 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.15 C=CC1=C(Br)C=CC=C1 XJ2039 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.15 C=CC1=C(F)C=CC=C1 HL1763 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.15 C=CC1=CC=CC=C1C XJ1115 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.15 C=CC1=CC=CC=C1O RT11656 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.15 CC1=C(C#N)C=CC=C1 LQ0969 [1,0,0,0,0,0|1,0,2]=4 174 B9R1.15 CC1=C(C=O)C=CC=N1 YH09284 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.15 CC1=CC=CC=C1C=O LQ0970 [1,0,0,0,0,0|1,0,0]=2 176 B9R1.15 CC1=CC=CC=C1CN XJ0151 [1,0,0,0,0,0|1,0,1]=3 177 B9R1.15 CC1=CC=CN=C1C=O LX3316 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.15 CC1=CC=CN=C1CN LT3920 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.15 CCC1=CC=CC=C1F RT10529 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.15 CCC1=CC=CC=C1I XJ4411 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.15 CCC1=CC=CC=C1S LT1736 [1,0,0,0,0,0|1,1,1]=4 183 B9R1.15 CNC1=C(F)C=CC=C1 RT3629 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.15 CNC1=CC=CC=C1C XJ1117 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 COC1=C(Br)C=CC=C1 LT0298 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 COC1=C(F)C=CC=C1 LT6544 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 COC1=CC=CC=C1O LT7681 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.15 CSC1=C(Cl)C=CC=C1 JZ5186 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 CSC1=C(F)C=CC=C1 XJ1257 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 CSC1=CC=CC=C1C JZ4854 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 CSC1=CC=CC=C1I LQ4804 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.15 CSC1=CC=CC=C1O JZ4356 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.15 FC1=CC=CC=C1CBr RT11192 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.15 N#CC1=C(Br)C=CC=C1 LT0301 [1,0,0,0,0,0|1,0,2]=4 198 B9R1.15 N#CC1=C(Cl)C=CC=C1 CJ2994 [1,0,0,0,0,0|1,0,2]=4 199 B9R1.15 N#CC1=C(F)C=CC=C1 LT6546 [1,0,0,0,0,0|1,0,2]=4 200 B9R1.15 N#CC1=C(I)C=CC=C1 JZ2517 [1,0,0,0,0,0|1,0,2]=4 201 B9R1.15 N#CC1=C(N)C=CC=C1 RT1553 [1,0,0,0,0,0|1,0,2]=4 202 B9R1.15 N#CC1=C(O)C=CC=C1 YH09892 [1,0,0,0,0,0|0,0,2]=3 203 B9R1.15 N#CC1=CC=CN=C1O RT18046 [1,0,0,0,0,0|1,0,2]=4 204 B9R1.15 N#CC1=CC=CN=C1O XJ2928 [1,0,0,0,0,0|1,0,2]=4 205 B9R1.15 N#CC1=CN=CC=C1O YH93754 [1,0,0,0,0,0|1,0,2]=4 206 B9R1.15 NC1=C(C=O)C=CN=C1 RT2203 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.15 NC1=C(C=O)C=NC=C1 YH01035 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.15 NC1=C(C=O)N=CC=C1 RT2315 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.15 NC1=CC=CC=C1CO LT2291 [1,0,0,0,0,0|1,0,2]=4 210 B9R1.15 NC1=NC=CC=C1C=O LX3234 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [1,0,0,0,0,0|1,0,1]=3 212 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [1,0,0,0,0,0|1,0,1]=3 213 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [1,0,0,0,0,0|0,0,1]=2 214 B9R1.15 NCC1=CC=CC=C1Br LT0305 [1,0,0,0,0,0|1,0,1]=3 215 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [1,0,0,0,0,0|1,0,1]=3 216 B9R1.15 NCC1=CC=CN=C1Cl YH66504 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.15 NCC1=CC=CNC1=O RT2213 [1,0,0,0,0,0|1,0,2]=4 218 B9R1.15 NNC1=C(F)C=CC=C1 JZ2154 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.15 NNC1=CC=CC=C1Br XJ5550 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.15 NNC1=CC=CC=C1F LT1512 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.15 O=CC1=C(Br)C=CC=C1 LT0299 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.15 O=CC1=C(Br)C=NC=C1 YH14731 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.15 O=CC1=C(F)C=NC=C1 LT3415 [1,0,0,0,0,0|2,0,0]=3 224 B9R1.15 O=CC1=C(O)C=NC=C1 YH42136 [1,0,0,0,0,0|1,0,0]=2 225 B9R1.15 O=CC1=CC=CN=C1Br LQ5548 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.15 O=CC1=CC=CN=C1Cl LT3322 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.15 O=CC1=CC=CN=C1F LT3359 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.15 O=CC1=NC=CC=C1F LQ4687 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.15 O=CC1=NC=CC=C1O LX2628 [1,0,0,0,0,0|1,0,0]=2 230 B9R1.15 O=CC1=NC=CN=C1Cl JZ0394 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.15 OC1=CC=CN=C1CBr XJ6520 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [1,0,0,0,0,0|1,0,2]=4 233 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [1,0,0,0,0,0|1,0,2]=4 234 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [1,0,0,0,0,0|1,0,2]=4 235 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [1,0,0,0,0,0|1,0,2]=4 236 B9R1.15 OCC1=NC=CC=C1O YH34195 [1,0,0,0,0,0|1,0,2]=4 237 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [1,0,0,0,0,0|1,1,1]=4 238 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 YH55244 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.53 C#CC1=CC=CC=C1[N+](=O)[O-] SY0169 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.53 C=CC1=CC=CC=C1C(=O)[O-] HL0409 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.53 CC(C)C1=CC=CC=C1OO XJ0107 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.53 CNC1=CC=CC=C1C(=O)O LQ0517 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] HL0141 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.53 CNC1=NC=CC=C1C(=O)O XJ5069 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.53 COC1=C(B(O)O)C=CC=C1 XJ2964 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.53 COC1=C(C(=O)O)C=CC=C1 XJ0973 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.53 COC1=C(C(=O)O)C=CN=C1 YH12258 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 YH54114 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.53 COC1=CC=CC=C1C(N)=O LT1774 [0,1,0,0,0,0|0,0,0]=1 250 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] LT6816 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.53 COC1=NC=CC=C1C(=O)O JZ0743 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] LT3946 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 LT1526 [0,1,0,0,0,0|2,1,0]=4 254 B11R1.53 N#[N+]C1=CC=CC=C1[N+](=O)[O-] RT1586 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.53 NNC1=CC=CC=C1C(=O)O JZ0801 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.53 NNC1=CC=CC=C1[N+](=O)[O-] YH10970 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.53 O=C(Cl)C1=CC=CC=C1CCl LQ5091 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.53 O=C(O)C1=CC=CC=C1CBr HL4661 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.53 O=C(O)C1=CC=CC=C1CBr YH15164 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.53 O=C(O)C1=CC=CC=C1CCl HL4793 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] JZ0434 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.53 O=[N+]([O-])C1=C(SCl)C=CC=C1 LQ3316 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.53 OCC1=C(B(O)O)C=CC=C1 LL1607 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.87 CP(C)(=O)C1=CC=CC=C1N YH66018 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.87 NC1=CC=CC=C1S(N)(=O)=O LT1659 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.87 NS(=O)(=O)C1=C(F)C=CC=C1 XJ5043 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 LQ2343 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Br LQ2346 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Cl LQ2344 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1I YH11055 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.87 O=S(=O)(O)C1=C(Cl)C=CC=C1 YH51533 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.87 OC1=CC=CC=C1C(F)(F)F XJ0752 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F XJ6510 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.156 CC(=O)C1=C(F)C=CC=C1F JZ4800 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.156 CC(=O)C1=C(F)C=CC=C1O XJ6632 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 LT1967 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.156 CC1=C([N+](=O)[O-])C(O)=CC=C1 RT6279 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.156 CC1=C([N+](=O)[O-])C(O)=NC=C1 JZ5452 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.156 CC1=CC=CC(C)=C1C(=O)O LQ1302 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.156 CC1=CC=CC(F)=C1C(=O)O HL4871 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.156 CC1=CC=CC(F)=C1[N+](=O)[O-] YH52883 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.156 CC1=CC=CC(N)=C1C(=O)O JZ2518 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.156 CC1=NC=CC(C)=C1C(=O)O YH06860 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O LX3014 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.156 C[C@H](N)C1=C(F)C=CC=C1F YH28786 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.156 N=C(N)C1=C(F)C=CC=C1F LT2214 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.156 NC(=O)C1=C(Cl)C=CC=C1Cl XJ1986 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.156 NC(=O)C1=C(F)C=CC=C1F LT2216 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.156 NC1=C([N+](=O)[O-])C(F)=CC=C1 YH07561 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.156 NC1=C([N+](=O)[O-])C(O)=NC=C1 XJ6582 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O LQ2094 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.156 NC1=CC=CC(F)=C1C(=O)O LX2855 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl LQ2722 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Br YH65618 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1Cl LT1699 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1I LL1917 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.156 O=C(O)C1=C(Br)C=NC=C1Br LQ3705 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Br XJ6625 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl HL1052 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.156 O=C(O)C1=C(F)C=CC=C1Br CJ2844 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl LL0816 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.156 O=C(O)C1=C(F)C=CC=C1O CJ3041 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.156 O=N(=O)C1=C(F)C=CC=C1Cl HL4258 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.156 O=[N+]([O-])C1=C(Cl)C=CC=C1Cl JZ3868 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.156 O=[N+]([O-])C1=C(F)C=CC=C1F LT0185 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 LL2344 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 XJ4433 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 LL1297 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 LT6157 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.159 CC(=O)C1=CC=CC(C)=C1N YH05913 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.159 CC(=O)C1=CC=CC(C)=C1O YH14631 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1Cl LQ5361 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1F LL2343 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O RT6217 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br RT11196 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.159 CC1=C(C(=O)O)C=CC=C1F YH14630 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.159 CC1=C(C(=O)O)C=CC=C1N LT2464 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.159 CC1=C(C(=O)O)C=CC=C1O JZ3890 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.159 CC1=C(F)C([N+](=O)[O-])=CC=C1 YH01648 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.159 CC1=C(F)C=CC=C1[N+](=O)[O-] LT1577 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 LT5949 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 LX3202 [0,1,0,0,0,0|1,0,0]=2 323 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 JZ0027 [0,1,0,0,0,0|1,0,0]=2 324 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1N JZ0126 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1N LT2308 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C JZ5449 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br SY0004 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.159 CC1=CC=CC(C(=O)O)=C1F YH53947 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.159 CC1=CC=CC(N(=O)=O)=C1Cl JZ2418 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1Br YH00408 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1N LT6588 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.159 C[C@H](N)C1=C(F)C(F)=CC=C1 YH65422 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.159 C[C@H](N)C1=C(F)C(F)=CC=C1 YH65638 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 YH15128 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.159 NC(=O)C1=CC=CC(N)=C1N YH66480 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.159 NC(=O)C1=CC=CC(O)=C1O RT11182 [0,1,0,0,0,0|0,0,0]=1 337 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br LX2293 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.159 NC1=C(C(=O)O)C=CC=C1F YH88243 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.159 NC1=C(F)C=CC=C1N(=O)=O YH40981 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.159 NC1=C(N)C([N+](=O)[O-])=CC=C1 XJ2565 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.159 NC1=C(O)C=CC=C1C(=O)O HL1999 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.159 NC1=C([N+](=O)[O-])C=CC=C1Cl YH18018 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.159 NC1=CC=CC(C(=O)O)=C1F LX3096 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.159 NC1=CC=CC(C(=O)O)=C1N JZ3891 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.159 O=C(Cl)C1=C(F)C(Cl)=CC=C1 HL4768 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.159 O=C(Cl)C1=C(F)C(F)=CC=C1 XJ4431 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 YH31972 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 HL1046 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 YH65894 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CJ3147 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 LL2342 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 YH58619 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 LQ0677 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 LT0082 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.159 O=C(O)C1=CC=CC(=O)N1O LX2189 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl YH07680 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Br YH07679 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl HL3142 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.159 O=C(O)C1=CC=CC(F)=C1F YH02098 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.159 O=C(O)C1=CC=CC(F)=C1I LX2296 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl YH98254 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.159 O=N(=O)C1=CC=CC(F)=C1Cl YH46208 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.159 O=[N+]([O-])C1=C(Cl)C(Cl)=CC=C1 YH54229 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.159 O=[N+]([O-])C1=C(Cl)C(O)=CC=C1 YH09428 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.159 O=[N+]([O-])C1=C(F)C(F)=CC=C1 JZ3029 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.159 O=[N+]([O-])C1=C(I)C(F)=CC=C1 YH65671 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.159 O=[N+]([O-])C1=CC=CC(Br)=C1F LQ5414 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 HL0592 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 LX2629 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 YH65890 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 YH65861 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 LL0744 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 HL0874 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Br LX2251 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.166 CC(=O)C1=CC=C(C)C=C1O YH14255 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br YH88248 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1F LL2461 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br YH10272 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl XJ6151 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl YH00402 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.166 CC(=O)C1=CC=C(O)C=C1F YH98787 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.166 CC(=O)C1=CC=C(O)C=C1O RT11977 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 LX3005 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Cl)=C1 XJ2888 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 RT6336 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 LT3053 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 LQ3335 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 LX2050 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 YH58663 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O YH17041 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 XJ0766 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.166 CC1=CC(F)=CC=C1[N+](=O)[O-] XJ0765 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 YH13201 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.166 CC1=CC(O)=C(C(N)=O)C=C1 LT2462 [0,1,0,0,0,0|0,0,0]=1 395 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 YH18052 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 LT0244 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 LX3241 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.166 CC1=NC(F)=CC=C1C(=O)O LX2404 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.166 C[C@@H](N)C1=CC=C(Br)C=C1F YH89064 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1O RT3352 [0,1,0,0,0,0|1,0,1]=3 402 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl XJ2193 [0,1,0,0,0,0|1,0,0]=2 403 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl LL1015 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 YH45406 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 LT0240 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=C1 LT3541 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.166 NC1=C([N+](=O)[O-])C=CC(F)=C1 LQ2105 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.166 NC1=CC(Br)=CC=C1[N+](=O)[O-] YH05144 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 XJ2208 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 XJ0046 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.166 NC1=CC=C(C(=O)O)C(F)=C1 LX3182 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 HL3362 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 JZ3312 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 LL0519 [0,1,0,0,0,0|1,0,0]=2 416 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 LQ0597 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 XJ1113 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 RT11949 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 HL1032 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 YH07341 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 RT12288 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 XJ0764 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 YH89414 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 LT2788 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.166 O=C(O)C1=C(O)N=C(O)N=C1 RT18056 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O HL0984 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl LQ4961 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br YH51932 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.166 O=C(O)C1=CC=C(I)C=C1F LL2023 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl RT11083 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.166 O=C(O)C1=CC=C(S)C=C1Br RT13176 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl HL4459 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl YH27314 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl YH19973 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(F)C=C1 CJ2320 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 LT6026 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.166 O=[N+]([O-])C1=C(F)C=C(F)C=C1 LT0121 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 LT6783 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.166 O=[N+]([O-])C1=CC=C(F)C=C1Br YH14650 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 XJ0758 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 XJ1781 [0,1,0,0,0,0|1,0,0]=2 445 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 LT3535 [0,1,0,0,0,0|1,0,0]=2 446 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F YH24829 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.167 CC(=O)C1=CC(C)=CC=C1O XJ1779 [0,1,0,0,0,0|1,0,0]=2 448 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl HL2255 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1N YH39071 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.167 CC(=O)C1=CC(F)=CC=C1Cl JZ2207 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.167 CC(=O)C1=CC(F)=CC=C1I LX2394 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.167 CC(=O)C1=CC(O)=CC=C1O LL0869 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 LX2060 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 XJ5704 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 LQ2276 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CJ2738 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.167 CC1=C([N+](=O)[O-])C=C(N)C=C1 JZ0671 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 XJ3183 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 XJ0662 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 YH05261 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.167 CC1=CC(N(=O)=O)=C(N)C=C1 LL0203 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 YH65811 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.167 CC1=CC([N+](=O)[O-])=C(I)C=C1 JZ2717 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] LT2737 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=C1 LQ3105 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O RT8677 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.167 CC1=CC=C(N)C(C(N)=O)=C1 YH00062 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.167 CC1=CC=C(N)C=C1C(=O)O LT5979 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=C1 LQ3533 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=N1 LT6803 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.167 CC1=CC=[N+](C)C=C1C(N)=O LL1890 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.167 CC1=CN=C(O)C([N+](=O)[O-])=C1 XJ3326 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.167 C[C@@H](N)C1=CC(Cl)=CC=C1O YH66241 [0,1,0,0,0,0|1,0,1]=3 474 B11R1.167 C[C@H](N)C1=CC(Cl)=CC=C1O YH66579 [0,1,0,0,0,0|1,0,1]=3 475 B11R1.167 N=C1C=CC(=O)C(C(=O)O)=C1 RT11743 [0,1,0,0,0,0|1,0,1]=3 476 B11R1.167 NC(=O)C1=C(N)C=CC(Cl)=C1 LT0249 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1F LL2689 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1O LT3548 [0,1,0,0,0,0|0,0,0]=1 479 B11R1.167 NC1=C(C(=O)O)C=C(Cl)N=C1 LX3311 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 LT0252 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 HL1758 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.167 NC1=C([N+](=O)[O-])C=C(O)C=C1 LT2438 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O LT0246 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.167 NC1=CC=C(Br)C=C1[N+](=O)[O-] HL0467 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O YH90773 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.167 NC1=CC=C(I)C=C1[N+](=O)[O-] YH45288 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 RT11771 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O JZ1003 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O YH05416 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(Cl)=C1 LQ2351 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(F)=C1 JZ5450 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.167 O=C(Cl)C1=C(F)C=CC(Cl)=C1 HL1756 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.167 O=C(Cl)C1=C(F)C=CC(F)=C1 LQ4861 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.167 O=C(Cl)C1=CC(Cl)=CN=C1Cl LT3869 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 YH09854 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 LQ4295 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 HL1755 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 JZ5666 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 LQ4294 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 HL1034 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 LQ1933 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 YH35267 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 LQ5175 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 LQ4296 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 XJ3893 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 LQ0504 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 LT0154 [0,1,0,0,0,0|1,0,0]=2 508 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O YH22672 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl YH09173 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl LQ4919 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.167 O=C(O)C1=CC(F)=CN=C1F YH89730 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.167 O=C(O)C1=CC(F)=CN=C1O YH92224 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl YH43007 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.167 O=C(O)C1=CC(I)=CC=C1I YH34226 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl LT4622 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O LX3018 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.167 O=N(=O)C1=C(Cl)C=CC(Cl)=C1 RT11975 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(Br)=C1 LQ2474 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(Cl)=C1 XJ5436 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.167 O=[N+]([O-])C1=C(Br)C=CC(O)=C1 YH65902 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.167 O=[N+]([O-])C1=C(Cl)C=CC(F)=C1 LQ0698 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.167 O=[N+]([O-])C1=C(F)C=CC(Cl)=C1 LQ0699 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.167 O=[N+]([O-])C1=C(F)C=CC(O)=C1 LT5831 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.167 O=[N+]([O-])C1=C(I)C=CC(F)=C1 LL0743 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.167 O=[N+]([O-])C1=C(I)C=CC(I)=C1 YH93893 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.167 O=[N+]([O-])C1=C(I)C=CC(O)=C1 YH04061 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(F)=C1 HL1759 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.167 O=[N+]([O-])C1=C(O)N=CC(Br)=C1 JZ5048 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.167 O=[N+]([O-])C1=C(O)N=CC(Cl)=C1 RT18049 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.167 O=[N+]([O-])C1=CC(Br)=CC=C1O LQ3331 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.167 O=[N+]([O-])C1=CC(F)=CN=C1O LX3286 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.167 OB(O)C1=C(O)C=CC(F)=C1 YH50127 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.167 OB(O)C1=CC(Cl)=CC=C1O YH93890 [0,1,0,0,0,0|2,0,1]=4 534 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [0,1,0,0,0,0|1,0,0]=2 537 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 YH05902 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.222 COC(=O)C1=C(I)C=CC=C1 LT1761 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.222 COC(=O)C1=C(I)C=NC=C1 YH42716 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HL4261 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.222 COC(=O)C1=C(O)C=CN=C1 YH13199 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.222 COC(=O)C1=C(O)N=CN=C1 JZ2595 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.222 COC(=O)C1=CC=CC=C1O JZ3307 [0,1,0,0,0,0|1,0,0]=2 545 B11R1.222 COC(=O)C1=CC=CN=C1C XJ6093 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.222 COC(=O)C1=CC=CN=C1F XJ0762 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.222 COC(=O)C1=CC=CN=C1N LQ3812 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.222 COC(=O)C1=NC=CC=C1C YH09125 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.222 COC(=O)C1=NC=CC=C1O XJ5981 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.222 C\C(NO)=C1\C=CC=CC1=O RT6027 [0,1,0,0,0,0|1,0,1]=3 551 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [0,1,0,0,0,0|1,0,0]=2 552 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [0,1,0,0,0,0|1,0,0]=2 553 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [0,1,0,0,0,0|1,0,0]=2 554 B11R1.222 NCC(O)C1=CC=CC=C1F JZ2275 [0,1,0,0,0,0|1,0,2]=4 555 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [0,1,0,0,0,0|1,0,0]=2 556 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [0,1,0,0,0,0|0,0,0]=1 557 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [0,1,0,0,0,0|1,0,0]=2 558 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.222 O=C(NO)C1=CC=CC=C1O JZ1752 [0,1,0,0,0,0|0,0,0]=1 561 B11R1.222 [2H]OC(=O)C1=CC=CC=C1Cl RT12698 [0,1,0,0,0,0|2,0,0]=3 562 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [0,0,0,1,0,0|3,0,0]=4 563 B11R2.1 BrC1=NNC2=CC=CC=C21 LX3057 [0,0,0,1,0,0|2,0,1]=4 564 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,0,0,1,0,0|3,0,0]=4 565 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [0,0,0,1,0,0|2,0,0]=3 566 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [0,0,0,1,0,0|2,1,0]=4 567 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [0,0,0,1,0,0|1,0,1]=3 568 B11R2.1 ClC1=C2C=CC=NC2=NN1 RT9425 [0,0,0,1,0,0|3,0,0]=4 569 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [0,0,0,1,0,0|3,0,0]=4 570 B11R2.1 ClC1=NSC2=C1C=CC=C2 LQ3345 [0,0,0,1,0,0|1,1,1]=4 571 B11R2.1 IC1=NNC2=CC=CC=C21 YH12813 [0,0,0,1,0,0|2,0,1]=4 572 B11R2.1 NC1=NSC2=C1C=CC=C2 LQ4347 [0,0,0,1,0,0|1,1,0]=3 573 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,0,0,1,0,0|2,0,1]=4 574 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,0,0,1,0,0|2,0,1]=4 575 B11R2.1 NN1C=CC2=CC=CC=C21 LQ5244 [0,0,0,1,0,0|3,0,0]=4 576 B11R2.1 NN1N=NC2=CC=CC=C21 XJ1857 [0,0,0,1,0,0|3,0,0]=4 577 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,0,0,1,0,0|2,0,1]=4 578 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [0,0,0,1,0,0|2,0,0]=3 579 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [0,0,0,1,0,0|2,0,0]=3 580 B11R2.1 O=C1CCC2=CC=CN=C12 YH53701 [0,0,0,1,0,0|3,0,0]=4 581 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [0,0,0,1,0,0|1,0,0]=2 582 B11R2.1 O=C1NCC2=C1C=NC=C2 YH59390 [0,0,0,1,0,0|2,0,0]=3 583 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [0,0,0,1,0,0|1,0,0]=2 584 B11R2.1 O=C1NCC2=NC=CC=C12 YH59389 [0,0,0,1,0,0|2,0,0]=3 585 B11R2.1 O=C1NN=C2C=CC=CN12 XJ3189 [0,0,0,1,0,0|2,0,0]=3 586 B11R2.1 O=C1NOC2=CC=CC=C12 LQ4291 [0,0,0,1,0,0|0,0,0]=1 587 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [0,0,0,1,0,0|0,1,0]=2 588 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [0,0,0,1,0,0|2,0,1]=4 589 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [0,0,0,1,0,0|2,1,0]=4 590 B11R2.55 OC1=CC=CC=C1C2CO2 RT7911 [0,0,0,1,0,0|1,0,2]=4 591 B9R1.41 CC(=O)C1=C(C)C=CS1 JZ4814 [0,0,0,0,1,0|3,0,0]=4 592 B9R1.41 CC(=O)C1=CC=CN1C JZ0998 [0,0,0,0,1,0|3,0,0]=4 593 B9R1.41 CC1=C(C(=O)Cl)C=CO1 JZ2760 [0,0,0,0,1,0|3,0,0]=4 594 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [0,0,0,0,1,0|3,0,0]=4 595 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [0,0,0,0,1,0|3,0,0]=4 596 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [0,0,0,0,1,0|3,0,0]=4 597 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [0,0,0,0,1,0|3,0,0]=4 598 B9R1.41 CC1=CNC=C1C(=O)O RT10098 [0,0,0,0,1,0|3,0,0]=4 599 B9R1.41 NC(=O)C1=C(N)N=CN1 LX3324 [0,0,0,0,1,0|3,0,0]=4 600 B9R1.41 NC(=O)C1=C(N)NC=N1 YH65889 [0,0,0,0,1,0|3,0,0]=4 601 B9R1.41 NC(=O)C1=C(N)NN=C1 RT2462 [0,0,0,0,1,0|3,0,0]=4 602 B9R1.41 NC(=O)C1=C(N)OC=N1 YH53109 [0,0,0,0,1,0|3,0,0]=4 603 B9R1.41 NC(=O)C1=C(N)SC=N1 YH66366 [0,0,0,0,1,0|3,0,0]=4 604 B9R1.41 NC(=O)C1=C(O)NC=N1 RT14153 [0,0,0,0,1,0|2,0,0]=3 605 B9R1.41 NC(=O)C1=CNN=C1N RT2053 [0,0,0,0,1,0|3,0,0]=4 606 B9R1.41 NC1=C(C(=O)O)SC=C1 YH06872 [0,0,0,0,1,0|3,0,0]=4 607 B9R1.41 NC1=C(C(=O)[O-])C=CS1 LT0567 [0,0,0,0,1,0|3,0,0]=4 608 B9R1.41 O=C(O)C1=C(F)C=CS1 YH54410 [0,0,0,0,1,0|3,0,0]=4 609 B9R1.41 O=C(O)C1=C(F)SC=C1 CJ3042 [0,0,0,0,1,0|3,0,0]=4 610 B9R1.41 O=C(O)C1=NOC=C1O RT18938 [0,0,0,0,1,0|3,0,0]=4 611 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,0,0,0,0,1|2,0,0]=3 612 B11R1.86 CC(=O)NC1=CC=CC=C1Cl LL0941 [0,0,0,0,0,1|2,0,0]=3 613 B11R1.86 CC(=O)OC1=CC=CC=C1Br RT11882 [0,0,0,0,0,1|2,0,0]=3 614 B11R1.86 CC(C)OC1=C(O)C=CC=C1 JZ2617 [0,0,0,0,0,1|2,0,1]=4 615 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [0,0,0,0,0,1|2,0,1]=4 616 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [0,0,0,0,0,1|2,0,0]=3 617 B11R1.86 CC1=CC=CC=C1NC(N)=O HL0193 [0,0,0,0,0,1|1,0,0]=2 618 B11R1.86 NC(=O)NC1=CC=CC=C1F XJ1260 [0,0,0,0,0,1|1,0,0]=2 619 B11R1.86 NC(=S)NC1=CC=CC=C1Cl XJ2860 [0,0,0,0,0,1|1,1,0]=3 620 B11R1.86 NC(=S)NC1=CC=CC=C1O LQ1826 [0,0,0,0,0,1|0,1,0]=2 621 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 XJ0788 [0,0,0,0,0,1|2,0,0]=3 622 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl XJ4468 [0,0,0,0,0,1|2,0,0]=3 623 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [0,0,0,0,0,1|2,0,0]=3 624 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [0,0,0,0,0,1|2,0,0]=3 625 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [0,0,0,0,0,1|2,0,0]=3 626 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [0,0,0,0,0,1|1,1,0]=3 627 B11R1.86 O=C(O)CC1=CC=CN=C1Cl YH66545 [0,0,0,0,0,1|3,0,0]=4 628 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [0,0,0,0,0,1|1,0,0]=2 629 B8R0.4 C\C=C\C=C/C=C/C=O RT17881 [1,0,1,0,0,0|1,0,0]=3 630 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,1]=4 631 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 632 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|1,0,0]=3 633 B8R1.2 C=CC1=CC=CN=C1 RT7678 [2,0,0,0,0,0|2,0,0]=4 634 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,1]=4 635 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|0,0,2]=4 636 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|0,0,2]=4 637 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|0,0,1]=3 638 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|1,0,1]=4 639 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|1,0,1]=4 640 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|1,0,1]=4 641 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|1,0,1]=4 642 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|1,0,0]=3 643 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|1,0,0]=3 644 B8R1.2 NNC1=CC=CN=C1 YH00904 [2,0,0,0,0,0|2,0,0]=4 645 B8R1.2 NNC1=CC=CN=C1 YH12082 [2,0,0,0,0,0|2,0,0]=4 646 B8R1.2 NNC1=CC=CN=C1 YH57193 [2,0,0,0,0,0|2,0,0]=4 647 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [2,0,0,0,0,0|1,0,0]=3 648 B8R1.2 O=CC1=CC=CN=C1 RT10183 [2,0,0,0,0,0|1,0,0]=3 649 B8R1.2 O=CC1=CN=CN=C1 LX3173 [2,0,0,0,0,0|2,0,0]=4 650 B8R1.2 O=CC1=NC=CC=N1 YH51306 [2,0,0,0,0,0|2,0,0]=4 651 B8R1.2 O=CC1=NC=CN=C1 HL3002 [2,0,0,0,0,0|2,0,0]=4 652 B8R1.2 O=CC1=NC=NC=C1 YH48930 [2,0,0,0,0,0|2,0,0]=4 653 B8R1.2 O=CC1=NN=CC=C1 XJ5876 [2,0,0,0,0,0|2,0,0]=4 654 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|1,0,0]=3 655 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|1,0,0]=3 656 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|0,0,2]=4 657 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|1,0,1]=4 658 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|0,1,1]=4 659 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|1,0,1]=4 660 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|2,0,0]=4 661 B8R1.5 BrC1=CC=CC=C1I SY0258 [2,0,0,0,0,0|2,0,0]=4 662 B8R1.5 CC1=C(C)C=CC=C1 LQ0273 [2,0,0,0,0,0|1,0,1]=4 663 B8R1.5 CC1=C(F)C=CC=C1 YH97940 [2,0,0,0,0,0|1,0,1]=4 664 B8R1.5 CC1=C(N)C=NC=C1 RT2358 [2,0,0,0,0,0|2,0,0]=4 665 B8R1.5 CC1=C(N)N=CC=C1 CJ2791 [2,0,0,0,0,0|2,0,0]=4 666 B8R1.5 CC1=C(O)C=CN=C1 XJ4659 [2,0,0,0,0,0|1,0,1]=4 667 B8R1.5 CC1=C(O)C=NC=C1 YH25048 [2,0,0,0,0,0|1,0,1]=4 668 B8R1.5 CC1=CC=CC=C1N JZ4019 [2,0,0,0,0,0|1,0,0]=3 669 B8R1.5 CC1=CC=CC=C1N LQ0277 [2,0,0,0,0,0|1,0,0]=3 670 B8R1.5 CC1=CC=CN=C1O HL0576 [2,0,0,0,0,0|1,0,1]=4 671 B8R1.5 CC1=CN=CC=C1N JZ1864 [2,0,0,0,0,0|2,0,0]=4 672 B8R1.5 CC1=NC=CC=C1N HL2564 [2,0,0,0,0,0|2,0,0]=4 673 B8R1.5 CC1=NC=CC=C1O LT5849 [2,0,0,0,0,0|1,0,1]=4 674 B8R1.5 CN1C=CC=CC1=O LQ1352 [2,0,0,0,0,0|2,0,0]=4 675 B8R1.5 ClC1=C(Br)C=CC=C1 LT0061 [2,0,0,0,0,0|2,0,0]=4 676 B8R1.5 ClC1=C(I)C=CC=C1 HL0203 [2,0,0,0,0,0|2,0,0]=4 677 B8R1.5 FC1=C(Br)C=CC=C1 LT1562 [2,0,0,0,0,0|2,0,0]=4 678 B8R1.5 FC1=C(Cl)C=CC=C1 LQ0714 [2,0,0,0,0,0|2,0,0]=4 679 B8R1.5 FC1=C(F)C=CC=C1 LT0041 [2,0,0,0,0,0|2,0,0]=4 680 B8R1.5 FC1=C(I)C=CC=C1 LQ0715 [2,0,0,0,0,0|2,0,0]=4 681 B8R1.5 FC1=C(S)C=CC=C1 LQ2244 [2,0,0,0,0,0|1,1,0]=4 682 B8R1.5 IC1=C(I)C=CC=C1 HL0204 [2,0,0,0,0,0|2,0,0]=4 683 B8R1.5 NC1=C(Br)C=CC=N1 LQ3666 [2,0,0,0,0,0|2,0,0]=4 684 B8R1.5 NC1=C(Br)C=CN=C1 YH48633 [2,0,0,0,0,0|2,0,0]=4 685 B8R1.5 NC1=C(Br)C=NC=C1 LQ3665 [2,0,0,0,0,0|2,0,0]=4 686 B8R1.5 NC1=C(Cl)C=CN=C1 JZ5401 [2,0,0,0,0,0|2,0,0]=4 687 B8R1.5 NC1=C(F)C=CC=C1 LT6543 [2,0,0,0,0,0|1,0,0]=3 688 B8R1.5 NC1=C(F)C=NC=C1 XJ2124 [2,0,0,0,0,0|2,0,0]=4 689 B8R1.5 NC1=C(I)C=CC=C1 HL0205 [2,0,0,0,0,0|1,0,0]=3 690 B8R1.5 NC1=C(I)C=NC=C1 XJ6581 [2,0,0,0,0,0|2,0,0]=4 691 B8R1.5 NC1=C(N)C=CC=C1 LT7286 [2,0,0,0,0,0|1,0,0]=3 692 B8R1.5 NC1=C(N)C=NC=C1 LQ0029 [2,0,0,0,0,0|2,0,0]=4 693 B8R1.5 NC1=C(O)C=CC=N1 LT0236 [2,0,0,0,0,0|1,0,0]=3 694 B8R1.5 NC1=C(O)C=CN=C1 LQ3070 [2,0,0,0,0,0|1,0,0]=3 695 B8R1.5 NC1=C(O)C=NC=C1 RT2267 [2,0,0,0,0,0|1,0,0]=3 696 B8R1.5 NC1=C(O)N=CC=C1 LX2871 [2,0,0,0,0,0|1,0,0]=3 697 B8R1.5 NC1=CC=CC=C1Br HL0202 [2,0,0,0,0,0|1,0,0]=3 698 B8R1.5 NC1=CC=CC=C1O LT0278 [2,0,0,0,0,0|0,0,0]=2 699 B8R1.5 NC1=CC=CC=C1S LL0580 [2,0,0,0,0,0|0,1,0]=3 700 B8R1.5 NC1=CC=CN=C1Br YH59182 [2,0,0,0,0,0|2,0,0]=4 701 B8R1.5 NC1=CC=CN=C1Cl LT6701 [2,0,0,0,0,0|2,0,0]=4 702 B8R1.5 NC1=CC=CN=C1F LX2048 [2,0,0,0,0,0|2,0,0]=4 703 B8R1.5 NC1=CC=CN=C1I YH45611 [2,0,0,0,0,0|2,0,0]=4 704 B8R1.5 NC1=CC=CN=C1N YH15322 [2,0,0,0,0,0|2,0,0]=4 705 B8R1.5 NC1=CC=NC=C1Cl RT2201 [2,0,0,0,0,0|2,0,0]=4 706 B8R1.5 NC1=NC=CC=C1Cl XJ5382 [2,0,0,0,0,0|2,0,0]=4 707 B8R1.5 NC1=NC=CC=C1F LQ4289 [2,0,0,0,0,0|2,0,0]=4 708 B8R1.5 NC1=NC=CC=C1I LT3192 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.5 O=C1N=CNC=C1O LX2213 [2,0,0,0,0,0|2,0,0]=4 710 B8R1.5 O=C1OC=CC=C1O YH03412 [2,0,0,0,0,0|1,0,0]=3 711 B8R1.5 OC1=C(Br)C=CC=C1 LQ0278 [2,0,0,0,0,0|1,0,0]=3 712 B8R1.5 OC1=C(Br)C=CN=C1 RT1983 [2,0,0,0,0,0|2,0,0]=4 713 B8R1.5 OC1=C(Br)C=NC=C1 XJ5247 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.5 OC1=C(Cl)C=CN=C1 HL4980 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.5 OC1=C(F)C=CC=C1 LT6549 [2,0,0,0,0,0|1,0,0]=3 716 B8R1.5 OC1=C(I)C=CC=C1 LL0943 [2,0,0,0,0,0|1,0,0]=3 717 B8R1.5 OC1=C(I)C=CN=C1 CJ2110 [2,0,0,0,0,0|2,0,0]=4 718 B8R1.5 OC1=C(O)C=NC=C1 LX3240 [2,0,0,0,0,0|1,0,1]=4 719 B8R1.5 OC1=C(O)N=CC=C1 LT0084 [2,0,0,0,0,0|1,0,1]=4 720 B8R1.5 OC1=CC=CC=C1O LL0488 [2,0,0,0,0,0|0,0,1]=3 721 B8R1.5 OC1=CC=CN=C1Br CJ2954 [2,0,0,0,0,0|2,0,0]=4 722 B8R1.5 OC1=CC=CN=C1F HL3683 [2,0,0,0,0,0|2,0,0]=4 723 B8R1.5 OC1=CC=CN=C1I LT3366 [2,0,0,0,0,0|2,0,0]=4 724 B8R1.5 OC1=NC=CC=C1Br LT5508 [2,0,0,0,0,0|2,0,0]=4 725 B8R1.5 OC1=NC=CC=C1F JZ4618 [2,0,0,0,0,0|2,0,0]=4 726 B8R1.5 ON1C(=S)C=CC=C1 JZ4972 [2,0,0,0,0,0|1,1,0]=4 727 B8R1.5 [15NH2]C1=CC=CC=C1[15NH2] RT2962 [2,0,0,0,0,0|1,0,0]=3 728 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.13 CC(N)C1=CC=C(Br)C=C1 YH48936 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.13 CC1=CC=C(C(C)N)C=C1 JZ0723 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [1,1,0,0,0,0|0,0,0]=2 742 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 LQ5152 [1,1,0,0,0,0|1,0,1]=4 746 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 YH17516 [1,1,0,0,0,0|1,0,1]=4 747 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 XJ4897 [1,1,0,0,0,0|1,0,1]=4 748 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 HL3245 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HL2287 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.13 N=C(N)C1=CC=C(N)C=C1 JZ3229 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.13 N=C(N)C1=CC=C(O)C=C1 LT2008 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.13 N=C(N)C1=CC=C(O)C=C1 YH36971 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [1,1,0,0,0,0|0,0,0]=2 754 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [1,1,0,0,0,0|0,0,0]=2 755 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [1,1,0,0,0,0|0,0,0]=2 756 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [1,1,0,0,0,0|0,0,0]=2 757 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [1,1,0,0,0,0|0,0,0]=2 758 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 YH49579 [1,1,0,0,0,0|0,1,0]=3 760 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 LT3105 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 JZ0055 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 XJ0449 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 JZ0749 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 JZ1126 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 JZ4692 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HL1435 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 JZ4192 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 RT13188 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 LT0072 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 RT11294 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 LT3458 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 RT12985 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.15 C1=CC=C(N([O-])N=O)C=C1 LT7153 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,1,0,0,0,0|0,0,0]=2 796 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,1,0,0,0,0|0,0,0]=2 800 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,1,0,0,0,0|0,0,0]=2 802 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [1,1,0,0,0,0|0,0,1]=3 803 B10R1.15 N\C(=N/O)C1=CC=CN=C1 XJ1823 [1,1,0,0,0,0|1,0,1]=4 804 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,1,0,0,0,0|0,0,0]=2 810 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|0,0,2]=4 811 B10R1.28 CC(C)(N)C1=CC=CC=C1 XJ1030 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.28 CP(=O)(Cl)C1=CC=CC=C1 XJ2994 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 LQ2383 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 XJ0224 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 RT13210 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.28 O=S(=O)([Na])C1=CC=CC=C1 LT4044 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.28 O=S(=O)([Zn])C1=CC=CC=C1 LT4045 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 XJ0221 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 LX2618 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 RT15363 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 LX2619 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 RT2925 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [1,1,0,0,0,0|0,0,0]=2 830 B10R1.113 CC1=CC(C(N)=S)=CC=N1 RT8267 [1,1,0,0,0,0|1,1,0]=4 831 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.113 CC1=CC=CC(C(=O)O)=N1 JZ4291 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.113 CC1=CN=CC(C(=O)O)=C1 LT6022 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.113 CN1C=CCC(C(N)=O)=C1 RT11880 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 YH65966 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 XJ3010 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 RT4413 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.113 C[NH+]1C=CC=C(C(N)=O)C1 RT4410 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.113 N=C(N)C1=CC=CC(F)=C1 XJ6333 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.113 N=C(N)C1=CC=CC(N)=C1 LT2228 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 LQ4630 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [1,1,0,0,0,0|0,0,0]=2 843 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [1,1,0,0,0,0|0,0,0]=2 844 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 JZ1859 [1,1,0,0,0,0|1,0,0]=3 845 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 XJ6709 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.113 NC1=CC(C(=O)O)=CN=C1 YH48838 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.113 NC1=CC(C(=O)O)=NC=C1 RT5964 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.113 NC1=CC=CC(C(=O)O)=N1 JZ5606 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 XJ0269 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.113 NC1=NC=CC(C(=O)O)=C1 YH32218 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 JZ4695 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 LQ1216 [1,1,0,0,0,0|1,0,0]=3 853 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 LT3937 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 LT3027 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.113 O=C(Cl)C1=CC(I)=CC=C1 JZ4696 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 JZ0792 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [1,1,0,0,0,0|1,0,0]=3 858 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 LT6515 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [1,1,0,0,0,0|1,0,0]=3 860 B10R1.113 O=C(O)C1=CC(F)=CN=C1 LQ0786 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.113 O=C(O)C1=CC(S)=NC=C1 YH42361 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 LQ2733 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.113 O=C(O)C1=CC=CC(F)=N1 LQ0787 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 LT3524 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.113 O=C(O)C1=CN=CC(O)=C1 JZ0794 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 JZ0754 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.113 O=C(O)C1=NC(O)=CC=C1 JZ0755 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 LX2083 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 LQ2927 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CC=C1 LL0512 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 JZ4098 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 LT1873 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 LQ0982 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.2 C(=O)C1=C(F)C(Cl)=NC=C1 LT3327 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.2 C(=O)C1=C(O)C(C)=CC=C1 JZ0971 [1,1,0,0,0,0|0,0,0]=2 880 B10R1.2 C(=O)C1=CC=CC(C)=C1C HL2997 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.2 C=CC1=C(O)C(O)=CC=C1 RT11577 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.2 CC1=C(C=O)C=CC=C1F HL3570 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.2 COC1=C(O)C(O)=CC=C1 JZ4287 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.2 N#CC1=CC=CC(O)=C1O YH13533 [1,1,0,0,0,0|0,0,2]=4 885 B10R1.2 NCC1=C(Cl)C(F)=CC=C1 YH15669 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.2 O=CC1=C(Cl)C(Cl)=CC=C1 LQ3092 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.2 O=CC1=C(F)C(Cl)=CC=C1 HL4737 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.2 O=CC1=C(O)C(Br)=CC=C1 HL2009 [1,1,0,0,0,0|0,0,0]=2 889 B10R1.2 O=CC1=C(O)C(O)=CC=C1 LQ4423 [1,1,0,0,0,0|0,0,0]=2 890 B10R1.2 O=CC1=CC=CC(F)=C1Cl YH98383 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.2 O=CC1=CC=CC(F)=C1O HL1764 [1,1,0,0,0,0|0,0,0]=2 892 B10R1.4 Br\C=C\C1=CC=CC=C1Br RT6046 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.4 CC1=CC=CC=C1N=C=O HL0189 [1,1,0,0,0,0|1,0,1]=4 894 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,1,0,0,0,0|0,0,1]=3 898 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,1,0,0,0,0|0,0,0]=2 899 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 XJ2468 [1,1,0,0,0,0|1,0,1]=4 900 B10R1.4 O=C=NC1=C(F)C=CC=C1 LQ3980 [1,1,0,0,0,0|1,0,1]=4 901 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,1,0,0,0,0|1,0,0]=3 902 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,1,0,0,0,0|1,0,0]=3 903 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,1,0,0,0,0|1,0,1]=4 904 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [1,1,0,0,0,0|0,0,1]=3 905 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [1,1,0,0,0,0|1,0,1]=4 906 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.20 C(=O)C1=C(OC)C=CC=C1 RT17703 [1,1,0,0,0,0|0,0,0]=2 908 B10R1.20 C(=O)C1=CC=CC=C1CC RT12794 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.20 CCC1=C(NN)C=CC=C1 LQ5433 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.20 CNC1=NC=CC=C1C=O XJ5067 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.20 COC1=C(CN)C=CC=C1 JZ2995 [1,1,0,0,0,0|0,0,1]=3 912 B10R1.20 COC1=CC=CC=C1C#N SY0006 [1,1,0,0,0,0|0,0,2]=4 913 B10R1.20 COC1=CC=CC=C1CCl YH14808 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.20 COC1=CC=CC=C1NN RT12858 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.20 COC1=CC=CC=C1NN XJ5828 [1,1,0,0,0,0|1,0,0]=3 916 B10R1.20 COC1=CC=CC=C1SC JZ1969 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.20 COC1=CC=CN=C1C=O YH42134 [1,1,0,0,0,0|1,0,0]=3 918 B10R1.20 COC1=NC=CC=C1NN YH37776 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.20 N#CC1=C(C=O)C=CC=C1 XJ3328 [1,1,0,0,0,0|1,0,0]=3 920 B10R1.20 NCC1=C(C=O)C=CC=N1 HL4830 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.20 O=CC1=C(C=O)C=CC=C1 LT7285 [1,1,0,0,0,0|0,0,1]=3 922 B10R1.20 OCC1=CC=CC=C1CO HL0136 [1,1,0,0,0,0|0,0,2]=4 923 B10R1.25 C(=O)C1=C(Cl)C=C(F)C=C1 XJ6487 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.25 C(=O)C1=CC=C(Cl)N=C1Cl YH06852 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.25 C=CC1=C(F)C=C(F)C=C1 YH59246 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.25 C=CC1=CC=C(Br)C=C1Cl RT6460 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.25 CC1=C(C=O)C=CC(O)=C1 XJ5425 [1,1,0,0,0,0|1,0,0]=3 928 B10R1.25 CC1=C(CN)C=CC(Br)=C1 YH57929 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 JZ4185 [1,1,0,0,0,0|1,0,0]=3 930 B10R1.25 CC1=CC(C)=C(C=O)C=C1 JZ5009 [1,1,0,0,0,0|1,0,0]=3 931 B10R1.25 CC1=CC(C)=C(NN)C=C1 XJ5904 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 HL4914 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.25 CC1=CC(F)=CC=C1C=O YH11075 [1,1,0,0,0,0|1,0,0]=3 934 B10R1.25 CC1=CC(O)=C(C=O)C=C1 LQ1383 [1,1,0,0,0,0|0,0,0]=2 935 B10R1.25 CC1=CC(O)=CC=C1N=O RT11607 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.25 CC1=CC=C(C=O)C(Cl)=C1 XJ5566 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.25 CC1=CC=C(C=O)C(F)=C1 HL3526 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 YH47820 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.25 CCC1=CC=C(O)C=C1O LQ2338 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.25 COC1=C(O)C=C(Br)C=C1 JZ1166 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.25 COC1=CC=C(C)C=C1O JZ4479 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.25 COC1=CC=C(O)C=C1O JZ2877 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.25 N#CC1=CC=C(N)C=C1O YH65874 [1,1,0,0,0,0|0,0,2]=4 944 B10R1.25 NCC1=C(F)C=C(F)C=C1 YH65888 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.25 NCC1=CC=C(Br)C=C1F XJ6857 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.25 NCC1=CC=C(Cl)C=C1Cl LQ0256 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.25 NCC1=CC=C(F)C=C1Cl XJ4185 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.25 NNC1=CC=C(Cl)C=C1Cl LQ2880 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.25 NNC1=CC=C(F)C=C1Cl LL2880 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 HL3617 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 XJ5762 [1,1,0,0,0,0|1,0,0]=3 952 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 YH06391 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.25 O=CC1=C(F)C=C(O)C=C1 LQ0711 [1,1,0,0,0,0|1,0,0]=3 954 B10R1.25 O=CC1=C(O)C=C(O)C=C1 LT0125 [1,1,0,0,0,0|0,0,0]=2 955 B10R1.25 O=CC1=CC=C(Br)C=C1F LT2238 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.25 O=CC1=CC=C(Br)C=C1O LX2833 [1,1,0,0,0,0|0,0,0]=2 957 B10R1.25 O=CC1=CC=C(Cl)C=C1Br YH65915 [1,1,0,0,0,0|1,0,0]=3 958 B10R1.25 O=CC1=CC=C(Cl)C=C1Cl XJ1439 [1,1,0,0,0,0|1,0,0]=3 959 B10R1.25 O=CC1=CC=C(Cl)C=C1F LT2761 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.25 O=CC1=CC=C(Cl)C=C1O JZ2028 [1,1,0,0,0,0|0,0,0]=2 961 B10R1.25 O=CC1=CC=C(F)C=C1O LQ0712 [1,1,0,0,0,0|0,0,0]=2 962 B10R1.25 O=CC1=CC=C(O)C=C1Br CJ2845 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.25 O=CC1=CC=C(O)C=C1O LT1156 [1,1,0,0,0,0|0,0,0]=2 964 B10R1.30 C#CC1=CC(N)=CC=C1O RT11183 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.30 C(=O)C1=C(Br)C=CC(Br)=C1 XJ6279 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.30 C(=O)C1=C(Br)C=CC(O)=C1 XJ2311 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.30 C(=O)C1=C(C)C=CC(F)=C1 JZ5501 [1,1,0,0,0,0|1,0,0]=3 968 B10R1.30 C(=O)C1=C(F)C=CC(Br)=C1 LX2828 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.30 C(=O)C1=CC(Br)=CC=C1C YH94258 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.30 C(=O)C1=CC(Cl)=CC=C1N LQ4179 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.30 C(=O)C1=CC(F)=CC=C1I YH91802 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.30 C=CC1=C(F)C=CC(F)=C1 YH53204 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.30 C=CC1=CC(Cl)=CC=C1Cl YH25122 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.30 CC1=C(NN)C=C(Br)C=C1 LL2620 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.30 CC1=CC(CN)=C(C)C=C1 HL1221 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.30 CC1=CC=C(Br)C(C=O)=C1 YH94345 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.30 CCC1=CC(Br)=CC=C1O RT11159 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.30 COC1=CC(N)=CC=C1O RT1602 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.30 COC1=CC(O)=CC=C1O LQ1490 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.30 N#CC1=CC(Br)=CC=C1O YH00058 [1,1,0,0,0,0|0,0,2]=4 981 B10R1.30 NC1=CC=C(Br)C=C1C=O YH52299 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.30 NC1=NC=C(Br)C=C1C=O YH45305 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 LQ3465 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.30 NCC1=C(F)C=CC(F)=C1 HL4753 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.30 NCC1=CC(Cl)=CC=C1F LL2672 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.30 NNC1=C(F)C=CC(F)=C1 LQ5195 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.30 NNC1=CC(F)=CC=C1F HL3701 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 HL3672 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 YH97377 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 LX2051 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 JZ2930 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.30 O=CC1=C(F)C=CC(O)=C1 LX2605 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 XJ1893 [1,1,0,0,0,0|0,0,0]=2 994 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 JZ4017 [1,1,0,0,0,0|0,0,0]=2 995 B10R1.30 O=CC1=C(O)C=CC(F)=C1 LQ0707 [1,1,0,0,0,0|0,0,0]=2 996 B10R1.30 O=CC1=CC(Cl)=CC=C1F LT3285 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.30 O=CC1=CC(Cl)=CN=C1F LX3016 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.30 O=CC1=CC(F)=CC=C1Cl LT1685 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.30 OCC1=CC(F)=CC=C1O LT3858 [1,1,0,0,0,0|0,0,2]=4 1000 B10R1.245 C(=O)C1=C(Cl)N=CC=C1I LT3332 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.245 C=CC1=C(F)C=CC=C1F YH45327 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.245 CC1=C(C=O)C(O)=CC=C1 YH41912 [1,1,0,0,0,0|0,0,0]=2 1003 B10R1.245 CC1=CC=CC(C)=C1C=O HL0668 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.245 CC1=CC=CC(C)=C1CN RT3559 [1,1,0,0,0,0|1,0,1]=4 1005 B10R1.245 CC1=CC=CC(C)=C1CN XJ6299 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.245 CC1=CC=CC(C)=C1NN LQ2219 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.245 CC1=CN=CC(C)=C1C=O YH44385 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.245 N#CC1=C(O)C=CC=C1F LL2179 [1,1,0,0,0,0|0,0,2]=4 1009 B10R1.245 NCC1=C(F)C=CC=C1Cl LT1479 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.245 NCC1=C(F)C=CC=C1F HL4382 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.245 NCC1=C(N)C=CC=C1F LL2431 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.245 NNC1=C(F)C=CC=C1F XJ6915 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.245 O=CC1=C(Br)C=CC=C1F YH56950 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.245 O=CC1=C(Br)C=NC=C1Br LL1231 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl JZ0104 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl LT6184 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.245 O=CC1=C(F)C=CC=C1Cl LT6185 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.245 O=CC1=C(F)C=CC=C1O LQ4928 [1,1,0,0,0,0|0,0,0]=2 1019 B10R1.245 O=CC1=C(O)C=CC=C1O HL1725 [1,1,0,0,0,0|0,0,0]=2 1020 B10R1.245 O=NC1=C(Cl)C=CC=C1Cl JZ4477 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.149 COC(=O)C1=C(O)C=CS1 LQ2774 [0,1,0,0,1,0|2,0,0]=4 1022 B10R1.192 NC(=O)N1C(=O)C=CC1=O HL2496 [0,1,0,0,1,0|1,0,1]=4 1023 B10R1.194 CC1=CSC(C(N)=O)=C1N LT0614 [0,1,0,0,1,0|2,0,0]=4 1024 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 YH05030 [0,1,0,0,0,1|1,0,0]=3 1025 B12R1.75 COC1=CC=CC=C1CC(=O)O HL1217 [0,1,0,0,0,1|1,0,0]=3 1026 B12R1.75 COC1=CC=CC=C1NC(C)=O HL1218 [0,1,0,0,0,1|1,0,0]=3 1027 B12R1.75 N#CC1=CC=CC=C1CC(=O)O YH42495 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.75 NCC1=CC=CC=C1CC(=O)O YH00265 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.75 O=C(O)CC1=CC=CC=C1CCl YH97821 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.124 CC(=O)C(Br)C1=CC=CC=C1F RT10535 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 JZ1546 [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 YH50289 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 LT3674 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 LQ3409 [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.127 CC(=O)NC1=C(F)C=CC(Br)=C1 YH92113 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 JZ3784 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 YH92150 [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 LT0151 [0,1,0,0,0,1|2,0,0]=4 1039 B12R1.127 O=C(O)CC1=CC(O)=CC=C1O RT10981 [0,1,0,0,0,1|1,0,0]=3 1040 B12R1.224 CC(=O)CC1=CC=CC(Cl)=C1Cl HL3097 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.224 CC1=C(C)C(CC(=O)O)=CC=C1 RT11914 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.224 O=C(O)CC1=C(F)C(Cl)=CC=C1 LL2701 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 LT0081 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.224 O=C(O)CC1=CC=CC(O)=C1O RT11747 [0,1,0,0,0,1|1,0,0]=3 1045 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1C XJ4799 [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.233 CC(=O)NC1=CC=C(C)C=C1Br HL0195 [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.233 CC(=O)OC1=CC=C(Br)C=C1Br RT11919 [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 YH00198 [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.233 CC1=CC=C(CC(=N)N)C(C)=C1 YH19455 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.233 NC1=CC=C(CC(=O)O)C(F)=C1 LX3277 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 YH05432 [0,1,0,0,0,1|2,0,0]=4 1052 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 YH09917 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CJ2121 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 LL2528 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 YH65418 [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Cl YH43718 [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.233 O=C(O)CC1=CC=C(F)C=C1F LT0123 [0,1,0,0,0,1|2,0,0]=4 1058 B12R1.371 C=CC(=O)NC1=CC=CC=C1[Hg+] RT3262 [0,1,0,0,0,1|2,0,0]=4 1059 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [0,1,0,0,0,1|2,0,0]=4 1060 B12R1.371 CC1=CC=CC=C1NC(=S)NN HL0176 [0,1,0,0,0,1|1,1,0]=4 1061 B12R1.1009 CC(=O)OC1=C(Br)C=CC=C1Br RT11908 [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.1009 CC1=CC=CC(C)=C1OC(=O)O YH18931 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.1009 NC(=S)CC1=C(Cl)C=CC=C1Cl LQ4000 [0,1,0,0,0,1|1,1,0]=4 1064 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F LT5975 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F LT0187 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.46 COC1=C(C(=O)O)C=C(C)C=C1 YH49426 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 LT3546 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 HL1753 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 XJ0756 [0,2,0,0,0,0|1,0,0]=3 1070 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 LQ0499 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.46 COC1=C([N+](=O)[O-])C=C(F)C=C1 XJ0757 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 JZ3837 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.46 COC1=CC=C(Br)C=C1C(=O)O YH65761 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.46 COC1=CC=C(Cl)C=C1[N+](=O)[O-] LL0186 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.46 COC1=NC=C(F)C=C1C(=O)O YH92223 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.46 O=[N+]([O-])C1=CC(Br)=CC=C1CO YH47990 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.46 O=[N+]([O-])C1=CC(Cl)=CC=C1CO LT6060 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 XJ5832 [0,2,0,0,0,0|1,0,0]=3 1079 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 HL1776 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 YH94301 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 XJ0777 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.57 NC1=CC=C([N+](=O)[O-])C(CO)=C1 RT12675 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.76 CS(=O)(=O)C1=CC=CC=C1CO RT13022 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.76 NCC1=CC=CC=C1S(N)(=O)=O YH65164 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 LX2827 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.77 COC(=O)C1=CC=CC=C1C=O XJ2640 [0,2,0,0,0,0|1,0,1]=4 1087 B12R1.77 COC(=O)C1=CC=CC=C1CBr JZ2022 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.77 COC1=CC=CC=C1C(=O)CBr LT0285 [0,2,0,0,0,0|1,0,0]=3 1089 B12R1.77 COC1=CC=CC=C1C(=O)NN XJ3327 [0,2,0,0,0,0|0,0,0]=2 1090 B12R1.87 COC1=C(Br)C=CC=C1N(=O)=O LL1745 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O LL0181 [0,2,0,0,0,0|0,0,0]=2 1092 B12R1.261 NC(=O)C1=CC=CC=C1C(N)=O LL0180 [0,2,0,0,0,0|0,0,1]=3 1093 B12R1.261 NC(=O)C1=CC=CC=C1[N+](=O)[O-] XJ1093 [0,2,0,0,0,0|0,0,1]=3 1094 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 LL0867 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 YH11720 [0,2,0,0,0,0|1,0,1]=4 1096 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O LL2271 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O RT8479 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O HL0475 [0,2,0,0,0,0|1,0,0]=3 1099 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O XJ6408 [0,2,0,0,0,0|1,0,0]=3 1100 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] LQ0924 [0,2,0,0,0,0|1,0,1]=4 1101 B12R1.261 O=[N+]([O-])C1=CC=CC=C1B(O)O JZ2770 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 LX2978 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl LQ5094 [0,2,0,0,0,0|1,0,0]=3 1104 B12R1.283 CCOC1=CC=CC=C1C(=O)O LL0533 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.437 COC1=C(C(C)=O)C(F)=CC=C1 LQ5476 [0,2,0,0,0,0|1,0,0]=3 1106 B12R1.437 COC1=C(C(C)=O)C(O)=CC=C1 JZ4120 [0,2,0,0,0,0|1,0,0]=3 1107 B12R1.437 COC1=C([N+](=O)[O-])C(F)=CC=C1 YH11644 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.437 COC1=CC=CC(F)=C1C(=O)Cl LL2896 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.437 COC1=CC=CC(F)=C1C(=O)O LT5985 [0,2,0,0,0,0|1,0,0]=3 1110 B12R1.437 COC1=CC=CC(N)=C1C(=O)O LQ5271 [0,2,0,0,0,0|1,0,0]=3 1111 B12R1.437 O=[N+]([O-])C1=C(Cl)C=CC=C1CO LT6752 [0,2,0,0,0,0|2,0,0]=4 1112 B12R1.128 CC1=CC=C(N)C=C1S(N)(=O)=O XJ3197 [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.128 NC1=C(S(N)(=O)=O)C=C(Cl)C=C1 HL3010 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.128 O=S(=O)(O)C1=CC(O)=CC=C1O LT5372 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.128 O=S(=O)([O-])C1=C(O)C=CC(O)=C1 LQ4304 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.128 O=S(=O)([O-])C1=CC(O)=CC=C1O LQ4194 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.128 O=S(=O)([O-])C1=CC(O)=CC=C1O RT13000 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.894 CC(=O)C1=C(Cl)C=CC(C)=C1F LL2692 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.894 CC(=O)C1=C(Cl)C=CC(F)=C1Cl RT11226 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.894 CC(=O)C1=C(F)C=CC(C)=C1F LL2713 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.894 NC(=O)C1=C(F)C=CC(Cl)=C1F LL2678 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.894 NC1=C(C(=O)O)C(F)=C(F)C=C1 LX2104 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.894 NC1=C(Cl)C=CC(Cl)=C1C(=O)O XJ2393 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.894 O=C(Cl)C1=C(F)C(F)=CC=C1F HL3794 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.894 O=C(Cl)C1=C(F)C=CC(Cl)=C1F LL2680 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.894 O=C(O)C1=C(Br)C=CC(F)=C1F YH41804 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.894 O=C(O)C1=C(Cl)C(F)=CC=C1Cl YH41083 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.894 O=C(O)C1=C(O)C(Cl)=CC=C1Cl HL2546 [0,2,0,0,0,0|1,0,0]=3 1129 B12R1.894 O=C(O)C1=C(O)C=CC(Br)=C1O RT6186 [0,2,0,0,0,0|1,0,0]=3 1130 B12R1.894 O=C(O)C1=C(O)C=CC(Cl)=C1O RT6185 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.1000 CC(=O)C1=C(C)C=C(O)C=C1O RT12806 [0,2,0,0,0,0|1,0,0]=3 1132 B12R1.1000 CC(=O)C1=C(O)C=C(C)C=C1O RT11067 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.1000 CC1=C(C(=O)O)C(O)=CC(O)=C1 LQ0892 [0,2,0,0,0,0|1,0,0]=3 1134 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 JZ0980 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(=S)N1 RT14383 [0,2,0,0,0,0|1,1,0]=4 1136 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O YH38742 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.1000 O=C(Cl)C1=C(Cl)C=C(Cl)C=C1Cl HL2652 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.1000 O=C(Cl)C1=C(F)C=C(F)C=C1F XJ6387 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1Br YH11221 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Cl YH03973 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1F YH41803 [0,2,0,0,0,0|2,0,0]=4 1142 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O HL1142 [0,2,0,0,0,0|1,0,0]=3 1143 B12R1.3441 COC(=O)C1=C(F)C=CC=C1F JZ4801 [0,2,0,0,0,0|2,0,0]=4 1144 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O LQ2097 [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 HL3410 [0,2,0,0,0,0|2,0,0]=4 1146 B12R1.24 COC(=O)C1=C(C)C(N)=CC=C1 LX2298 [0,2,0,0,0,0|2,0,0]=4 1147 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 YH40771 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.24 COC(=O)C1=CC=CC(Br)=C1C LX2444 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.24 COC(=O)C1=CC=CC(F)=C1F YH41895 [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.24 COC(=O)C1=CC=CC(F)=C1N YH34948 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.24 COC(=O)C1=CC=CC(F)=C1O LX2449 [0,2,0,0,0,0|1,0,0]=3 1152 B12R1.24 N#CC(=O)C1=CC=CC(Cl)=C1Cl JZ0175 [0,2,0,0,0,0|1,0,1]=4 1153 B12R1.440 COC1=C(C)C(C(=O)Cl)=CC=C1 YH49058 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.440 COC1=C(C)C(C(=O)O)=CC=C1 CJ2928 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 RT3245 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.440 COC1=C(N)C(C(C)=O)=CC=C1 YH01088 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.440 COC1=C(N)C(C(N)=O)=CC=C1 RT5984 [0,2,0,0,0,0|1,0,0]=3 1158 B12R1.440 COC1=CC=CC(C(=O)O)=C1F YH33457 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.440 O=CC1=C(O)C([N+](=O)[O-])=CC=C1 LT6837 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.511 CC1=C(N)C(C(=O)O)=CC(I)=C1 YH24236 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.511 CC1=CC(Br)=CC([N+](=O)[O-])=C1O YH66608 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.511 CC1=CC(C(=O)O)=C(C)C(O)=C1 YH51061 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1N XJ4582 [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br XJ1087 [0,2,0,0,0,0|2,0,0]=4 1165 B12R1.511 NC1=C(Cl)C(C(=O)O)=CC(Cl)=C1 LT2907 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.511 NC1=C(I)C=C(I)C=C1C(=O)O XJ1088 [0,2,0,0,0,0|2,0,0]=4 1167 B12R1.511 NC1=C(O)C([N+](=O)[O-])=CC(Cl)=C1 RT2908 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.511 NC1=CC(C(=O)O)=C(F)C(F)=C1 YH91588 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.511 NC1=CC(N)=C(O)C(C(=O)O)=C1 YH65607 [0,2,0,0,0,0|1,0,0]=3 1170 B12R1.511 O=C(O)C1=C(Cl)C(Cl)=CC(Cl)=C1 HL1037 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.511 O=C(O)C1=C(F)C(F)=CC(Br)=C1 LX3166 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.511 O=C(O)C1=C(O)C(Br)=CC(Br)=C1 LQ2416 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.511 O=C(O)C1=C(O)C(I)=CC(I)=C1 LL0528 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.511 O=C(O)C1=CC(Br)=CC(Br)=C1Br YH36684 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.511 O=C(O)C1=CC(I)=CC(I)=C1I LL0176 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.511 O=[N+]([O-])C1=C(O)C(Cl)=CC(Cl)=C1 YH09797 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.893 CC1=CC=C(C(N)=O)C(F)=C1F LL2716 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.893 NC1=C(F)C(F)=C(C(=O)O)C=C1 LL2533 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.893 O=C(Cl)C1=C(F)C(F)=C(F)C=C1 HL3600 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 YH43479 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.893 O=C(O)C1=C(F)C(F)=C(I)C=C1 YH03758 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1F LT6749 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.232 CC(=O)C1=C(N)C=C(Br)C(F)=C1 YH96748 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.232 CC(=O)C1=CC(Br)=C(C)C=C1N YH66329 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.232 CC(=O)C1=CC(Br)=C(Cl)C=C1N YH96749 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl LT4059 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.232 CC(=O)C1=CC(F)=C(F)C=C1F LT6017 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.232 CC1=C(Br)C=C(F)C(C(=O)O)=C1 YH00645 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C LQ0965 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F LL1805 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I LX2614 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.232 CC1=CC(O)=C(C)C=C1C(=O)O YH51059 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.232 NC1=CC(Cl)=C(Cl)C=C1C(=O)O CJ2835 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.232 NC1=CC(O)=C([N+](=O)[O-])C=C1O LT6175 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.232 NC1=CC([N+](=O)[O-])=C(O)C=C1O LT0005 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.232 O=C(Cl)C1=C(Cl)C=C(Cl)C(F)=C1 LL1561 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.232 O=C(Cl)C1=C(F)C=C(F)C(F)=C1 XJ6574 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(F)=C1 YH65718 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 LL1574 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 YH52156 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Br)=C1 RT11909 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.232 O=C(O)C1=C(F)C=C(F)C(F)=C1 LT0099 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.232 O=C(O)C1=CC(Br)=C(O)C=C1O LQ3281 [0,2,0,0,0,0|1,0,0]=3 1204 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1F LX2200 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1F LL2106 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1Cl LL1886 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.232 O=[N+]([O-])C1=CC(Cl)=C(Cl)C=C1O RT13221 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.452 COC1=CC(F)=C(C(=O)Cl)C=C1 HL1762 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 XJ0664 [0,2,0,0,0,0|2,0,0]=4 1210 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 LQ2654 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.452 COC1=CC(O)=C(C(N)=O)C=C1 LQ3157 [0,2,0,0,0,0|0,0,0]=2 1212 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=C1 JZ5478 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 LT2144 [0,2,0,0,0,0|1,0,0]=3 1214 B12R1.452 N#CC1=CC(O)=C([N+](=O)[O-])C=C1 YH42127 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.1703 CC1=CC=C(C(=O)NN)C(C)=N1 RT2489 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.1703 CCC(=O)C1=C(O)C=C(O)C=C1 HL3011 [0,2,0,0,0,0|1,0,0]=3 1217 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 YH91859 [0,2,0,0,0,0|2,0,0]=4 1218 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 XJ2408 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CJ2192 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 LQ2726 [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 HL1734 [0,2,0,0,0,0|1,0,0]=3 1222 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 LQ2098 [0,2,0,0,0,0|1,0,0]=3 1223 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br RT11090 [0,2,0,0,0,0|2,0,0]=4 1224 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1I CJ3332 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1N YH32748 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.1703 COC(=O)C1=CC=C(N)C=C1C YH14295 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.1703 COC(=O)C1=CC=C(N)C=C1Cl YH02304 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O LT5969 [0,2,0,0,0,0|1,0,0]=3 1229 B12R1.1703 N#CC(=O)C1=CC=C(Cl)C=C1Cl RT6233 [0,2,0,0,0,0|1,0,1]=4 1230 B12R1.1703 NC1=CC(Cl)=CC=C1C(=O)CCl RT1619 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.1703 NC1=CC(O)=C(C(=O)O[Na])C=C1 CJ2106 [0,2,0,0,0,0|1,0,0]=3 1232 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 YH53846 [0,2,0,0,0,0|1,0,0]=3 1233 B12R1.1703 NNC(=O)C1=C(O)C=C(O)C=C1 JZ3686 [0,2,0,0,0,0|0,0,0]=2 1234 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl HL3029 [0,2,0,0,0,0|1,0,0]=3 1235 B12R1.1703 N[C@@H](CO)C1=CC=C(F)C=C1O RT12086 [0,2,0,0,0,0|0,0,2]=4 1236 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 YH49339 [0,2,0,0,0,0|1,0,0]=3 1237 B12R1.1703 O=C(CBr)C1=CC=C(Cl)C=C1Cl JZ2098 [0,2,0,0,0,0|2,0,0]=4 1238 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1F HL3116 [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.354 CCC(=O)C1=CC(O)=CC=C1N LT5986 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.354 CCC(=O)C1=CC(O)=CC=C1O JZ4313 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 XJ6405 [0,2,0,0,0,0|2,0,0]=4 1242 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 LX2236 [0,2,0,0,0,0|2,0,0]=4 1243 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 JZ2131 [0,2,0,0,0,0|2,0,0]=4 1244 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 YH65487 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 XJ0648 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.354 COC(=O)C1=C(O)C=CC(I)=C1 XJ2587 [0,2,0,0,0,0|1,0,0]=3 1247 B12R1.354 COC(=O)C1=CC(Br)=CC=C1Br XJ5823 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.354 COC(=O)C1=CC(C)=CC=C1N RT6120 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1N LT1648 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.354 COC(=O)C1=CC(I)=CC=C1N HL4610 [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.354 COC(=O)C1=CC(N)=CC=C1N SY0056 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.354 COC(=O)C1=CC(N)=CC=C1O YH01219 [0,2,0,0,0,0|1,0,0]=3 1253 B12R1.354 COC(=O)C1=CC(O)=CC=C1C YH65572 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.354 O=C(CCl)C1=C(F)C=CC(F)=C1 XJ5903 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.354 O=C(CCl)C1=CC(F)=CC=C1O RT6136 [0,2,0,0,0,0|1,0,0]=3 1256 B12R1.453 COC1=CC(C(=O)O)=C(C)C=C1 LX2717 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.453 COC1=CC(C(=O)O)=C(F)C=C1 LX3097 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.453 COC1=CC=C(N)C(C(=O)O)=C1 LQ3138 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.453 COC1=CC=C(N)C(C(=O)O)=C1 LT5917 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 HL0314 [0,2,0,0,0,0|1,0,0]=3 1261 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 JZ4127 [0,2,0,0,0,0|1,0,0]=3 1262 B12R1.453 COC1=CC=C(S)C(C(=O)O)=C1 RT13131 [0,2,0,0,0,0|1,1,0]=4 1263 B12R1.453 O=CC1=CC=C(O)C([N+](=O)[O-])=C1 XJ2367 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.453 O=[N+]([O-])C1=C(O)C=CC(CO)=C1 XJ5480 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.243 O=C1C=CC=C\C1=C(/CBr)NO RT6426 [0,2,0,0,0,0|1,0,1]=4 1266 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,2,0,0,0,0|2,0,0]=4 1268 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [0,2,0,0,0,0|2,0,0]=4 1271 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl JZ2444 [0,2,0,0,0,0|1,0,1]=4 1272 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [0,2,0,0,0,0|0,0,0]=2 1273 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [0,0,1,1,0,0|1,0,1]=4 1274 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [0,0,1,1,0,0|2,0,0]=4 1275 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [0,0,1,1,0,0|2,0,0]=4 1276 B10R1.66 CC(=O)\C=C/C1=CC=CO1 HL3203 [0,0,1,1,0,0|1,0,0]=3 1277 B10R1.66 CC(=O)\C=C\C1=CC=CS1 XJ1445 [0,0,1,1,0,0|1,1,0]=4 1278 B10R1.66 O=C(O)\C=C\C1=CC=CO1 YH06064 [0,0,1,1,0,0|1,0,0]=3 1279 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|1,0,1]=4 1280 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|1,0,0]=3 1281 B10R2.7 B1OC2=C(C=CC=C2)O1 LL0610 [1,0,0,1,0,0|2,0,0]=4 1282 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|1,0,1]=4 1283 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|1,0,1]=4 1284 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|2,0,0]=4 1285 B10R2.7 C1=CC2=C(C=C1)SC=C2 LT0724 [1,0,0,1,0,0|1,1,0]=4 1286 B10R2.7 C1=CC2=C(C=N1)OC=C2 XJ4535 [1,0,0,1,0,0|2,0,0]=4 1287 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|2,0,0]=4 1288 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|1,0,1]=4 1289 B10R2.7 C1=CC=C2OC=NC2=C1 LL0609 [1,0,0,1,0,0|2,0,0]=4 1290 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|1,0,1]=4 1291 B10R2.7 C1=CC=C2SC=CC2=C1 JZ3503 [1,0,0,1,0,0|1,1,0]=4 1292 B12R2.24 NC1=CC2=CC=CC=C2C=N1 XJ4820 [0,0,0,1,0,1|2,0,0]=4 1293 B12R2.24 NC1=NC2=CC=CC=C2C=C1 LT0815 [0,0,0,1,0,1|2,0,0]=4 1294 B12R2.24 NC1=NC2=CC=CC=C2N=C1 RT2504 [0,0,0,1,0,1|2,0,0]=4 1295 B12R2.24 NC1=NC2=CC=CC=C2N=N1 RT4600 [0,0,0,1,0,1|2,0,0]=4 1296 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [0,0,0,1,0,1|2,0,0]=4 1297 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [0,0,0,1,0,1|2,0,0]=4 1298 B12R2.24 O=C1C=NC2=CC=CC=C2N1 LT2094 [0,0,0,1,0,1|2,0,0]=4 1299 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [0,0,0,1,0,1|1,0,1]=4 1300 B12R2.202 CC1=C2N=C([S-])NC2=CC=C1 HL4159 [0,0,0,1,0,1|1,1,0]=4 1301 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 LT5867 [0,0,0,1,0,1|1,0,0]=3 1302 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 YH35534 [0,0,0,1,0,1|1,1,0]=4 1303 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 RT2017 [0,0,0,1,0,1|1,0,0]=3 1304 B12R2.202 NC1=NC2=C(Br)C=CC=C2S1 YH44764 [0,0,0,1,0,1|1,1,0]=4 1305 B12R2.202 NC1=NC2=C(C=CC=C2Cl)S1 LQ4163 [0,0,0,1,0,1|1,1,0]=4 1306 B12R2.202 NC1=NC2=C(F)C=CC=C2S1 YH44766 [0,0,0,1,0,1|1,1,0]=4 1307 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 XJ6693 [0,0,0,1,0,1|1,0,0]=3 1308 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 YH65719 [0,0,0,1,0,1|1,0,0]=3 1309 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 XJ4615 [0,0,0,1,0,1|1,0,0]=3 1310 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 HL4002 [0,0,0,1,0,1|2,0,0]=4 1311 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 JZ5699 [0,0,0,1,0,1|2,0,0]=4 1312 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 XJ6214 [0,0,0,1,0,1|2,0,0]=4 1313 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [0,0,0,1,0,1|2,0,0]=4 1314 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 LL0535 [0,1,0,1,0,0|2,0,0]=4 1315 B12R2.1081 NC1=CC=NC2=CC=CC=C12 JZ3845 [0,1,0,1,0,0|2,0,0]=4 1316 B12R2.1081 NC1=CN=CC2=CC=CC=C12 JZ5615 [0,1,0,1,0,0|2,0,0]=4 1317 B12R2.1081 NC1=CN=NC2=CC=CC=C12 LX2247 [0,1,0,1,0,0|2,0,0]=4 1318 B12R2.1081 NC1=NN=CC2=C1C=CC=C2 RT2049 [0,1,0,1,0,0|2,0,0]=4 1319 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [0,1,0,1,0,0|2,0,0]=4 1320 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,1,0,1,0,0|2,0,0]=4 1321 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [0,1,0,1,0,0|1,0,0]=3 1322 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,1,0,1,0,0|1,0,0]=3 1323 B12R2.1081 O=C1NN=NC2=CC=CC=C12 XJ0164 [0,1,0,1,0,0|1,0,0]=3 1324 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,1,0,1,0,0|2,0,0]=4 1325 B12R2.1081 S=C1NN=CC2=C1C=CC=C2 RT13128 [0,1,0,1,0,0|1,1,0]=4 1326 B12R2.1395 O=C(O)C1=CC=CC2=C1CC2 YH65712 [0,1,0,1,0,0|2,0,0]=4 1327 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 RT9247 [0,1,0,1,0,0|1,0,1]=4 1328 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 LQ2688 [0,1,0,1,0,0|1,0,1]=4 1329 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 JZ1733 [0,1,0,1,0,0|0,0,1]=3 1330 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [0,1,0,1,0,0|1,0,1]=4 1331 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [0,1,0,1,0,0|1,0,1]=4 1332 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,1,0,1,0,0|2,0,0]=4 1333 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,1,0,1,0,0|2,0,0]=4 1334 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 YH23871 [0,1,0,1,0,0|0,0,2]=4 1335 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 LX2203 [0,1,0,1,0,0|2,0,0]=4 1336 B12R2.203 NC1=NNC2=C1C(Br)=CC=C2 YH95304 [0,1,0,1,0,0|2,0,0]=4 1337 B12R2.203 NC1=NNC2=C1C(Cl)=CC=C2 YH65741 [0,1,0,1,0,0|2,0,0]=4 1338 B12R2.203 NC1=NNC2=C1C(I)=CC=C2 YH65857 [0,1,0,1,0,0|2,0,0]=4 1339 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29451 [0,1,0,1,0,0|2,0,0]=4 1340 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29819 [0,1,0,1,0,0|2,0,0]=4 1341 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 YH56099 [0,1,0,1,0,0|2,0,0]=4 1342 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 YH66130 [0,1,0,1,0,0|2,0,0]=4 1343 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 XJ3186 [0,1,0,1,0,0|1,0,0]=3 1344 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 LQ4415 [0,1,0,1,0,0|2,0,0]=4 1345 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CJ2785 [0,1,0,1,0,0|2,0,0]=4 1346 B12R2.196 O=C1CCC2=C1C=CC=C2Cl XJ4153 [0,1,0,1,0,0|2,0,0]=4 1347 B12R2.196 O=C1CCC2=C1C=CC=C2O LQ5074 [0,1,0,1,0,0|2,0,0]=4 1348 B12R2.196 O=C1NCC2=C1C=CC=C2Br YH55335 [0,1,0,1,0,0|1,0,0]=3 1349 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 YH21568 [0,1,0,1,0,0|2,0,0]=4 1350 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,1,0,1,0,0|2,0,0]=4 1351 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 LQ2490 [0,1,0,1,0,0|2,0,0]=4 1352 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 LQ2487 [0,1,0,1,0,0|2,0,0]=4 1353 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 XJ5153 [0,1,0,1,0,0|2,0,0]=4 1354 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 YH01019 [0,1,0,1,0,0|2,0,0]=4 1355 B12R2.612 O=C1CCC2=CC(F)=CC=C12 JZ4104 [0,1,0,1,0,0|2,0,0]=4 1356 B12R2.612 O=C1COC2=CC(Br)=CC=C12 YH44457 [0,1,0,1,0,0|1,0,0]=3 1357 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 XJ2407 [0,1,0,1,0,0|1,0,0]=3 1358 B12R2.612 O=C1NCC2=NC(Cl)=CC=C12 YH66320 [0,1,0,1,0,0|2,0,0]=4 1359 B12R2.612 O=C1NSC2=CC(F)=CC=C12 HL3634 [0,1,0,1,0,0|0,1,0]=3 1360 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 LQ4410 [0,1,0,1,0,0|2,0,0]=4 1361 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 HL4378 [0,1,0,1,0,0|2,0,0]=4 1362 B12R2.132 NC1=CNC2=C1C=C(Br)C=C2 YH05281 [0,1,0,1,0,0|2,0,0]=4 1363 B12R2.132 NC1=NNC2=C1C=C(Br)C=C2 YH09985 [0,1,0,1,0,0|2,0,0]=4 1364 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 LQ3761 [0,1,0,1,0,0|2,0,0]=4 1365 B12R2.132 O=C1CCC2=CC=C(F)C=C12 HL0875 [0,1,0,1,0,0|2,0,0]=4 1366 B12R2.132 O=C1CCC2=CC=C(O)C=C12 XJ5989 [0,1,0,1,0,0|2,0,0]=4 1367 B12R2.132 O=C1NCC2=C1C=C(S)C=C2 YH65675 [0,1,0,1,0,0|1,0,0]=3 1368 B12R2.132 O=C1NSC2=C1C=C(Cl)C=C2 RT15601 [0,1,0,1,0,0|0,1,0]=3 1369 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 XJ4519 [0,1,0,1,0,0|2,0,0]=4 1370 B12R2.1 BrCC1=NOC2=CC=CC=C21 LT5834 [0,1,0,1,0,0|1,0,1]=4 1371 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [0,1,0,1,0,0|1,1,0]=4 1372 B12R2.1 O=CC1=CNC2=C1C=CC=C2 LT2996 [0,1,0,1,0,0|2,0,0]=4 1373 B12R2.1 O=CC1=CSC2=CC=CC=C12 YH05980 [0,1,0,1,0,0|1,1,0]=4 1374 B12R2.1 O=CC1=NNC2=CC=CC=C21 LQ2784 [0,1,0,1,0,0|1,0,1]=4 1375 B12R2.1 OCC1=NOC2=CC=CC=C21 YH66546 [0,1,0,1,0,0|0,0,2]=4 1376 B12R2.18 CC1=C2C=COC=C2OC1=O RT14174 [0,1,0,1,0,0|2,0,0]=4 1377 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,1,0,1,0,0|2,0,0]=4 1378 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,1,0,1,0,0|2,0,0]=4 1379 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [0,1,0,1,0,0|2,0,0]=4 1380 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,0,0,0,1,0|2,0,0]=4 1381 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [1,0,0,0,1,0|2,0,0]=4 1382 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [1,0,0,0,1,0|2,0,0]=4 1383 B8R1.7 N=C(N)C1=CC=CS1 LT0593 [1,0,0,0,1,0|2,0,0]=4 1384 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [1,0,0,0,1,0|2,0,0]=4 1385 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [1,0,0,0,1,0|2,0,0]=4 1386 B8R1.7 O=C(Cl)C1=COC=C1 YH50424 [1,0,0,0,1,0|2,0,0]=4 1387 B8R1.7 O=C(Cl)C1=CSC=C1 YH00609 [1,0,0,0,1,0|2,0,0]=4 1388 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [1,0,0,0,1,0|2,0,0]=4 1389 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [1,0,0,0,1,0|2,0,0]=4 1390 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [1,0,0,0,1,0|2,0,0]=4 1391 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [1,0,0,0,1,0|2,0,0]=4 1392 B8R1.7 O=C(O)C1C=CC=C1 LT5432 [1,0,0,0,1,0|1,0,1]=4 1393 B8R1.11 CN1C=CC=C1C=O JZ4460 [1,0,0,0,1,0|2,0,0]=4 1394 B8R1.11 O=CC1=C(Br)C=CS1 CJ3010 [1,0,0,0,1,0|2,0,0]=4 1395 B8R1.11 O=CC1=C(Cl)C=CS1 YH13244 [1,0,0,0,1,0|2,0,0]=4 1396 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,0,0,0,0,2|2,0,0]=4 1397 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,0,0,0,0,2|2,0,0]=4 1398 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,0,0,0,0,2|2,0,0]=4 1399 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,0,0,0,0,2|2,0,0]=4 1400 B12R1.125 O=C(O)COC1=CC=CC=C1O LQ3078 [0,0,0,0,0,2|1,0,0]=3 1401 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [0,0,0,0,0,2|2,0,0]=4 1402 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [0,0,0,0,0,2|1,0,0]=3 1403 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [0,0,0,0,0,2|1,0,0]=3