0 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 JZ0995 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.781 CC(=O)C1=CC=C2N=CC=CC2=C1 LT0986 [0,0,0,0,0,0|1,0,0]=1 2 B14R2.781 CC(C)C1=CC=C2C=CC=CC2=C1 XJ2005 [0,0,0,0,0,0|1,0,1]=2 3 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 XJ2116 [0,0,0,0,0,0|1,0,0]=1 4 B14R2.781 O=C(Cl)C1=CC=C2N=CC=NC2=C1 YH50061 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 LT6601 [0,0,0,0,0,0|1,0,0]=1 6 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 LT0868 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 YH45358 [0,0,0,0,0,0|2,0,0]=2 8 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 JZ3036 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 JZ4398 [0,0,0,0,0,0|2,0,0]=2 10 B14R2.781 O=C(O)C1=CC=C2C=CN=CC2=C1 LX2630 [0,0,0,0,0,0|2,0,0]=2 11 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 YH23510 [0,0,0,0,0,0|2,0,0]=2 12 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 LT1024 [0,0,0,0,0,0|2,0,0]=2 13 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 YH03522 [0,0,0,0,0,0|3,0,0]=3 14 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 LL2564 [0,0,0,0,0,0|3,0,0]=3 15 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 HL4182 [0,0,0,0,0,0|1,0,0]=1 16 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 HL4190 [0,0,0,0,0,0|1,0,0]=1 17 B14R2.781 O=[N+]([O-])C1=CC=C2N=CC=NC2=C1 YH12730 [0,0,0,0,0,0|4,0,0]=4 18 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 CJ2377 [0,0,0,0,0,0|2,0,1]=3 19 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 LL2484 [0,0,0,0,0,0|3,0,1]=4 20 B14R2.781 OB(O)C1=CC2=CC=CN=C2C=C1 LT6146 [0,0,0,0,0,0|3,0,1]=4 21 B14R2.781 OB(O)C1=NC2=CC=CC=C2C=C1 LT5856 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 JZ4211 [1,0,0,0,0,0|0,0,1]=2 23 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 YH59268 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.57 COC1=CC2=CC=CC=C2C=C1 RT10627 [1,0,0,0,0,0|1,0,0]=2 25 B13R2.57 COC1=CC=C2N=CC=CC2=C1 JZ2656 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.57 COC1=NC2=CC=CC=C2C=C1 YH65567 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.57 CSC1=CC=C2C=CC=CC2=C1 JZ3145 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 HL2608 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 JZ5734 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 YH44475 [1,0,0,0,0,0|1,0,1]=3 31 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 YH08037 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 LT1145 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 YH65956 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 XJ2111 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 XJ0056 [1,0,0,0,0,0|0,0,0]=1 36 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 LT6847 [1,0,0,0,0,0|1,0,0]=2 37 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 YH03353 [1,0,0,0,0,0|1,0,0]=2 38 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 XJ2631 [1,0,0,0,0,0|1,0,0]=2 39 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 LT6065 [1,0,0,0,0,0|1,0,0]=2 40 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 CJ2744 [1,0,0,0,0,0|1,0,2]=4 41 B15R2.627 CC(C)N1C=CC2=CC=CC=C2C1=O YH21116 [0,1,0,0,0,0|2,0,1]=4 42 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 LT0933 [0,1,0,0,0,0|2,0,0]=3 43 B15R2.627 O=[N+]([O-])C1=C(Cl)C2=C(C=CC=C2)N=C1 JZ0564 [0,1,0,0,0,0|3,0,0]=4 44 B15R2.627 O=[N+]([O-])C1=C(O)C2=CC=CC=C2N=C1 RT14143 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.627 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1Br CJ3034 [0,1,0,0,0,0|2,0,0]=3 46 B15R2.984 CC(=O)C1=CC2=CN=CC=C2N=C1C LT6325 [0,1,0,0,0,0|2,0,0]=3 47 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O LL0929 [0,1,0,0,0,0|2,0,0]=3 48 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O LT6192 [0,1,0,0,0,0|1,0,0]=2 49 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O XJ1983 [0,1,0,0,0,0|2,0,0]=3 50 B15R2.984 OC(=O)C1=C(N)C=C2C=CC=CC2=C1 LQ2973 [0,1,0,0,0,0|1,0,0]=2 51 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 RT10156 [0,1,0,0,0,0|2,0,0]=3 52 B15R2.1601 N=C(NO)C1=CC2=C(C=CC=C2)C=N1 LT2260 [0,1,0,0,0,0|2,0,1]=4 53 B15R2.1601 N=C(NO)C1=NC2=CC=CC=C2C=C1 LT2261 [0,1,0,0,0,0|2,0,1]=4 54 B15R2.1601 O=C(CBr)C1=CC=C2C=CC=CC2=C1 HL0167 [0,1,0,0,0,0|0,0,0]=1 55 B15R2.4441 O=S(=O)(O)C1=CC=C2N=CC=CC2=C1 YH12246 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.7180 N=C(N)C1=CC2=C(C=C1)C=C(O)C=C2 YH88405 [0,1,0,0,0,0|2,0,0]=3 57 B15R2.7180 N=C(N)C1=CC2=CC=C(O)C=C2C=C1 RT11624 [0,1,0,0,0,0|2,0,0]=3 58 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=C1 YH26444 [0,1,0,0,0,0|1,0,0]=2 59 B15R2.7180 O=C(O)C1=CC2=C(C=N1)C=C(Cl)C=C2 RT8702 [0,1,0,0,0,0|2,0,0]=3 60 B15R2.7180 O=C(O)C1=CC2=CC=C(Br)C=C2C=C1 JZ1198 [0,1,0,0,0,0|1,0,0]=2 61 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 LQ3960 [0,1,0,0,0,0|1,0,0]=2 62 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=C1 LX2303 [0,1,0,0,0,0|1,0,0]=2 63 B15R2.7180 O=C(O)C1=NC2=CC=C(Br)C=C2C=C1 YH12108 [0,1,0,0,0,0|2,0,0]=3 64 B15R2.7180 O=C(O)C1=NC2=CC=C(Br)C=C2N=C1 RT9505 [0,1,0,0,0,0|3,0,0]=4 65 B15R2.7180 O=C1C=CC2=CC(C(=O)O)=CC=C2N1 YH14917 [0,1,0,0,0,0|2,0,0]=3 66 B15R2.13598 O=C(O)C1=CC=C2C(=C1)N=CN=C2Cl YH97088 [0,1,0,0,0,0|3,0,0]=4 67 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 YH07685 [0,1,0,0,0,0|1,0,0]=2 68 B15R2.14951 O=C(O)C1=CC(O)=C2C=CC=CC2=N1 CJ3086 [0,1,0,0,0,0|2,0,0]=3 69 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 LT0776 [0,1,0,0,0,0|2,0,0]=3 70 B15R2.61353 O=C([O-])C1=NC2=C(O)C=CC=C2C=C1 LQ3799 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 XJ3066 [0,0,1,0,0,0|3,0,0]=4 72 B13R1.74 O=C\C=C\C1=CC=C([N+](=O)[O-])C=C1 YH03421 [0,0,1,0,0,0|3,0,0]=4 73 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O LT6578 [0,0,1,0,0,0|2,0,1]=4 74 B13R1.90 O=CC1=CC=CC=C1\C=C\C(=O)O RT6193 [0,0,1,0,0,0|2,0,0]=3 75 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O HL0622 [0,0,1,0,0,0|2,0,1]=4 76 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 JZ4124 [0,0,0,0,1,0|1,0,0]=2 77 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 HL0699 [0,0,0,0,1,0|1,0,0]=2 78 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 YH02056 [0,0,0,0,1,0|2,0,0]=3 79 B13R2.72 O=C(Cl)C1=CSC2=CC=CC=C21 YH59156 [0,0,0,0,1,0|2,0,0]=3 80 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 XJ4266 [0,0,0,0,1,0|3,0,0]=4 81 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 JZ1093 [0,0,0,0,1,0|2,0,0]=3 82 B13R2.72 O=C(O)C1=CNC2=CC=CN=C21 YH90337 [0,0,0,0,1,0|3,0,0]=4 83 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 XJ2901 [0,0,0,0,1,0|2,0,0]=3 84 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 LT4082 [0,0,0,0,1,0|3,0,0]=4 85 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 YH36755 [0,0,0,0,1,0|3,0,0]=4 86 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 XJ2504 [0,0,0,0,1,0|3,0,0]=4 87 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 YH18117 [0,0,0,0,1,0|2,0,0]=3 88 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 LT7902 [0,0,0,0,1,0|3,0,0]=4 89 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 HL4170 [0,0,0,0,1,0|3,0,0]=4 90 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=C2 YH03405 [0,0,0,0,1,0|3,0,0]=4 91 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 LT0223 [0,0,0,0,1,0|1,0,0]=2 92 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 RT13045 [0,0,0,0,1,0|1,0,0]=2 93 B13R2.435 CC(=O)C1=NC2=CC=CC=C2O1 LX2137 [0,0,0,0,1,0|2,0,0]=3 94 B13R2.435 CC(O)C1=CC2=CC=CC=C2S1 YH04872 [0,0,0,0,1,0|1,0,2]=4 95 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)S1 LQ3051 [0,0,0,0,1,0|2,0,0]=3 96 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 LT7666 [0,0,0,0,1,0|2,0,0]=3 97 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 LQ3050 [0,0,0,0,1,0|2,0,0]=3 98 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 LQ2295 [0,0,0,0,1,0|3,0,0]=4 99 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 YH46495 [0,0,0,0,1,0|3,0,0]=4 100 B15R2.1668 CC(=O)OC1=CC2=C(C=CC=C2)C=C1 LQ1833 [0,0,0,0,0,1|0,0,0]=1 101 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 YH07258 [0,0,0,0,0,1|2,0,0]=3 102 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [1,0,1,0,0,0|2,0,0]=4 103 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [1,0,1,0,0,0|2,0,0]=4 104 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [1,0,1,0,0,0|2,0,0]=4 105 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 LQ2010 [1,0,1,0,0,0|1,0,1]=4 106 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [1,0,1,0,0,0|1,0,1]=4 107 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [1,0,1,0,0,0|1,0,1]=4 108 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [1,0,1,0,0,0|2,0,0]=4 109 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [1,0,1,0,0,0|2,0,0]=4 110 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 YH10507 [1,0,1,0,0,0|1,0,1]=4 111 B12R1.279 CC(=O)C1=CC(NC=O)=CC=C1 RT10525 [1,0,1,0,0,0|2,0,0]=4 112 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 YH56008 [2,0,0,0,0,0|2,0,0]=4 113 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 LQ0656 [2,0,0,0,0,0|1,0,0]=3 114 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 XJ0974 [2,0,0,0,0,0|1,0,0]=3 115 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 XJ2819 [2,0,0,0,0,0|2,0,0]=4 116 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 LQ5444 [2,0,0,0,0,0|2,0,0]=4 117 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 XJ5183 [2,0,0,0,0,0|2,0,0]=4 118 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 RT7804 [2,0,0,0,0,0|2,0,0]=4 119 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 LT6482 [2,0,0,0,0,0|2,0,0]=4 120 B12R2.24 CC1=CC2=CC=CC=C2C=C1 LT6594 [2,0,0,0,0,0|0,0,0]=2 121 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HL0684 [2,0,0,0,0,0|1,0,0]=3 122 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HL0146 [2,0,0,0,0,0|1,0,0]=3 123 B12R2.24 CC1=CC=C2C=CC=NC2=C1 JZ0093 [2,0,0,0,0,0|1,0,0]=3 124 B12R2.24 CC1=CC=C2C=CC=NC2=N1 JZ4663 [2,0,0,0,0,0|2,0,0]=4 125 B12R2.24 CC1=CC=C2C=CN=CC2=C1 YH06101 [2,0,0,0,0,0|1,0,0]=3 126 B12R2.24 CC1=CC=C2C=NC=CC2=C1 YH01057 [2,0,0,0,0,0|1,0,0]=3 127 B12R2.24 CC1=CC=C2N=CC=CC2=C1 XJ0200 [2,0,0,0,0,0|1,0,0]=3 128 B12R2.24 CC1=CC=C2N=CC=NC2=C1 JZ2902 [2,0,0,0,0,0|2,0,0]=4 129 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 YH95514 [2,0,0,0,0,0|1,0,0]=3 130 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 HL0145 [2,0,0,0,0,0|2,0,0]=4 131 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 HL0147 [2,0,0,0,0,0|2,0,0]=4 132 B12R2.24 NC1=CC2=CC=CC=C2C=N1 XJ4820 [2,0,0,0,0,0|2,0,0]=4 133 B12R2.24 NC1=CC2=CN=CC=C2C=C1 YH65501 [2,0,0,0,0,0|2,0,0]=4 134 B12R2.24 NC1=CC=C2C=CC=NC2=C1 XJ0978 [2,0,0,0,0,0|2,0,0]=4 135 B12R2.24 NC1=CC=C2C=NC=CC2=C1 XJ4720 [2,0,0,0,0,0|2,0,0]=4 136 B12R2.24 NC1=CC=C2N=CC=CC2=C1 LT0988 [2,0,0,0,0,0|2,0,0]=4 137 B12R2.24 NC1=CC=C2N=CC=CC2=C1 XJ0975 [2,0,0,0,0,0|2,0,0]=4 138 B12R2.24 NC1=NC2=CC=CC=C2C=C1 LT0815 [2,0,0,0,0,0|2,0,0]=4 139 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [2,0,0,0,0,0|1,0,0]=3 140 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [2,0,0,0,0,0|1,0,0]=3 141 B12R2.24 O=C1C=CC2=CC=NC=C2N1 CJ2926 [2,0,0,0,0,0|2,0,0]=4 142 B12R2.24 O=C1C=NC2=CC=CC=C2N1 LT2094 [2,0,0,0,0,0|2,0,0]=4 143 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [2,0,0,0,0,0|2,0,0]=4 144 B12R2.24 O=N1=CC2=CC=CC=C2C=C1 LQ1854 [2,0,0,0,0,0|1,0,0]=3 145 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 LQ3306 [2,0,0,0,0,0|1,0,1]=4 146 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [2,0,0,0,0,0|0,0,1]=3 147 B12R2.24 OC1=CC2=CC=CC=C2N=C1 XJ0977 [2,0,0,0,0,0|1,0,1]=4 148 B12R2.24 OC1=CC=C2C=CC=NC2=C1 XJ0979 [2,0,0,0,0,0|1,0,1]=4 149 B12R2.24 OC1=CC=C2N=CC=CC2=C1 JZ1203 [2,0,0,0,0,0|1,0,1]=4 150 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [2,0,0,0,0,0|1,0,1]=4 151 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [2,0,0,0,0,0|1,0,1]=4 152 B12R2.24 SC1=CC=C2C=CC=CC2=C1 LT1182 [2,0,0,0,0,0|0,1,0]=3 153 B12R2.24 SC1=NC2=CC=CC=C2C=C1 LT0848 [2,0,0,0,0,0|1,1,0]=4 154 B14R1.4522 O=C(O)\C=C\C1=CC=CC=C1C(=O)O HL0142 [0,1,1,0,0,0|2,0,0]=4 155 B14R2.92 CNC1=CC=C2C=CC=NC2=C1N RT3268 [1,1,0,0,0,0|2,0,0]=4 156 B14R2.92 CNC1=CC=C2N=CC=CC2=C1N RT3270 [1,1,0,0,0,0|2,0,0]=4 157 B14R2.92 O=NC1=C(O)C2=CC=CC=C2C=C1 LQ0586 [1,1,0,0,0,0|1,0,0]=3 158 B14R2.112 N#CCC1=CC2=CC=CC=C2C=C1 LT6603 [1,1,0,0,0,0|0,0,2]=4 159 B14R2.112 OCCC1=CC2=C(C=CN=C2)C=C1 RT10881 [1,1,0,0,0,0|1,0,1]=4 160 B14R2.112 OCCC1=CC=C2C=CC=CC2=C1 HL0896 [1,1,0,0,0,0|0,0,1]=3 161 B14R2.134 N#CC1=CC2=C(C=CC(O)=C2)C=C1 YH65463 [1,1,0,0,0,0|1,0,1]=4 162 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 RT11010 [1,1,0,0,0,0|1,0,0]=3 163 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl LT0826 [1,1,0,0,0,0|1,0,0]=3 164 B14R2.1801 COC1=CC2=C(C=C1)C(=O)OC=C2 YH65112 [1,1,0,0,0,0|2,0,0]=4 165 B14R2.1801 COC1=CC2=C(C=C1)C(Cl)=CC=N2 XJ6186 [1,1,0,0,0,0|2,0,0]=4 166 B14R2.1801 COC1=CC2=CC=CC(F)=C2C=C1 RT18854 [1,1,0,0,0,0|1,0,0]=3 167 B14R2.1801 COC1=CC=C2C(=C1)C=CN=C2O YH50817 [1,1,0,0,0,0|2,0,0]=4 168 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 YH88641 [1,1,0,0,0,0|1,0,0]=3 169 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 HL4720 [1,1,0,0,0,0|2,0,0]=4 170 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 LT1964 [1,1,0,0,0,0|1,0,0]=3 171 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 YH65601 [1,1,0,0,0,0|2,0,0]=4 172 B14R2.2332 COC1=CC=C2C=C(O)C=CC2=C1 LT5962 [1,1,0,0,0,0|1,0,0]=3 173 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 JZ4397 [1,1,0,0,0,0|2,0,0]=4 174 B14R2.2332 O=CC1=CC2=CC=C(Cl)C=C2C=C1 LX2577 [1,1,0,0,0,0|0,0,0]=2 175 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 LL1388 [1,1,0,0,0,0|0,0,0]=2 176 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 JZ4329 [0,1,0,0,1,0|1,0,0]=3 177 B14R2.642 CC(=O)N1C(=O)OC2=CC=CC=C21 LT2440 [0,1,0,0,1,0|2,0,0]=4 178 B14R2.5816 CC(=O)C1=CNC2=CC=C(Cl)C=C21 YH04861 [0,1,0,0,1,0|1,0,0]=3 179 B14R2.5816 NC1=CC=C2NC=C(C(=O)O)C2=C1 YH14432 [0,1,0,0,1,0|2,0,0]=4 180 B14R2.5816 O=C(O)C1=CNC2=C1C=C(O)C=C2 YH57535 [0,1,0,0,1,0|2,0,0]=4 181 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2Br YH90380 [0,1,0,0,1,0|2,0,0]=4 182 B14R2.25733 CN1C=C(C(=O)O)C2=CC=CC=C21 XJ5064 [0,1,0,0,1,0|2,0,0]=4 183 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)C2 LL1073 [0,1,0,0,1,0|1,0,1]=4 184 B14R2.601 CC(=O)C1=CC=C2NC(=O)OC2=C1 XJ5716 [0,1,0,0,1,0|2,0,0]=4 185 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 XJ5568 [0,1,0,0,1,0|1,0,0]=3 186 B14R2.966 COC(=O)C1=CC=C2NC=CC2=C1 HL0620 [0,1,0,0,1,0|1,0,0]=3 187 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 YH21008 [0,1,0,0,1,0|2,0,0]=4 188 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CC=C21 YH42351 [0,1,0,0,1,0|2,0,0]=4 189 B14R2.450 CC(=O)C1=C(Br)C2=CC=CC=C2S1 LT1635 [0,1,0,0,1,0|1,0,0]=3 190 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 LQ4422 [0,1,0,0,1,0|2,0,0]=4 191 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 YH66654 [0,1,0,0,1,0|2,0,0]=4 192 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 LT6429 [0,1,0,0,1,0|2,0,0]=4 193 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 YH66531 [0,1,0,0,1,0|2,0,0]=4 194 B14R2.972 COC(=O)C1=NC2=CC=CC=C2S1 LT6428 [0,1,0,0,1,0|2,0,0]=4 195 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 YH42095 [0,1,0,0,1,0|2,0,0]=4 196 B14R2.4529 NC(=O)C1=CC2=CC(Br)=CC=C2O1 RT8631 [0,1,0,0,1,0|2,0,0]=4 197 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 LX3148 [0,1,0,0,1,0|2,0,0]=4 198 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 YH15827 [0,1,0,0,1,0|2,0,0]=4 199 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 LQ0753 [0,1,0,0,1,0|2,0,0]=4 200 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 LQ4251 [0,1,0,0,1,0|2,0,0]=4 201 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 LQ3971 [0,1,0,0,1,0|2,0,0]=4 202 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 LQ3975 [0,1,0,0,1,0|2,0,0]=4 203 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 LQ2361 [0,1,0,0,1,0|2,0,0]=4 204 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2S1 YH66429 [0,1,0,0,1,0|2,0,0]=4 205 B14R2.7969 CC(=O)C1=CC2=CC=CC(I)=C2S1 LT1372 [0,1,0,0,1,0|1,0,0]=3 206 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 YH38896 [0,1,0,0,1,0|2,0,0]=4 207 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 CJ3368 [0,1,0,0,1,0|2,0,0]=4 208 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 LQ0750 [0,1,0,0,1,0|2,0,0]=4 209 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 YH49154 [0,1,0,0,1,0|2,0,0]=4 210 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 YH48663 [0,1,0,0,1,0|2,0,0]=4 211 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 YH38898 [0,1,0,0,1,0|2,0,0]=4 212 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 CJ2989 [0,1,0,0,1,0|2,0,0]=4 213 B16R2.1229 COC(=O)C1=C(O)C2=NC=CC=C2C=N1 YH00389 [0,2,0,0,0,0|2,0,0]=4 214 B16R2.3351 O=S(=O)([O-])C1=CC=C2C=CC=CC2=C1O JZ4235 [0,2,0,0,0,0|2,0,0]=4 215 B16R2.12044 CC1=CC=C2N=CC(C(=O)O)=C(O)C2=C1 LT0921 [0,2,0,0,0,0|2,0,0]=4 216 B16R2.23331 O=C(O)C1=C(O)C2=CC=CC=C2C(O)=C1 LT1554 [0,2,0,0,0,0|1,0,0]=3 217 B16R2.23372 CC(=O)C1=C(Cl)C2=CC=CC=C2N=C1C HL3489 [0,2,0,0,0,0|1,0,0]=3 218 B16R2.23372 O=C(O)C1=C(O)C2=C(C=CC=C2)NC1=O LT0911 [0,2,0,0,0,0|2,0,0]=4 219 B16R2.23372 O=C(O)C1=C(O)C=C2C=CC=CC2=C1O YH53923 [0,2,0,0,0,0|1,0,0]=3 220 B16R2.33941 COC(=O)C1=C(O)C=C2C=CC=CC2=C1 HL0503 [0,2,0,0,0,0|0,0,0]=2 221 B16R2.33941 COC(=O)C1=CC2=CC=NC=C2N=C1Cl YH66619 [0,2,0,0,0,0|2,0,0]=4 222 B16R2.33941 COC(=O)C1=CC2=CC=NC=C2N=C1O YH66620 [0,2,0,0,0,0|2,0,0]=4 223 B16R2.126889 O=C(O)C1=C(O)C=C2C(O)=CC=CC2=C1 LL0190 [0,2,0,0,0,0|1,0,0]=3 224 B16R2.1212 COC(=O)C1=NC2=C(O)C=CC=C2C=C1 LT2251 [0,2,0,0,0,0|1,0,0]=3 225 B16R2.1212 COC(=O)C1=NC2=C(O)C=CC=C2C=C1 LX2266 [0,2,0,0,0,0|1,0,0]=3 226 B16R2.3864 O=S(=O)(O[Na])C1=CC2=CC=CC=C2C=C1 YH05595 [0,2,0,0,0,0|2,0,0]=4 227 B16R2.173132 COC(=O)C1=CC=C2C(Cl)=CC=CC2=C1 YH30736 [0,2,0,0,0,0|0,0,0]=2 228 B16R2.11974 O=S(=O)(O)C1=CC=C2C=CC(O)=CC2=C1 LT1755 [0,2,0,0,0,0|2,0,0]=4 229 B16R2.11987 NC1=CC=C2C=C(S(N)(=O)=O)C=CC2=C1 XJ4976 [0,2,0,0,0,0|2,0,0]=4 230 B16R2.11987 O=S(=O)(Cl)C1=CC2=CC=C(Cl)C=C2C=C1 HL3103 [0,2,0,0,0,0|2,0,0]=4 231 B16R2.11987 O=S(=O)([O-])C1=CC2=CC=C(O)C=C2C=C1 LT2314 [0,2,0,0,0,0|2,0,0]=4 232 B16R2.11987 O=S(=O)([O-])C1=CC=C2C=C(O)C=CC2=C1 JZ4239 [0,2,0,0,0,0|2,0,0]=4 233 B16R2.22857 NC1=CC=CC2=CC(S(=O)(=O)O)=CC=C12 JZ0004 [0,2,0,0,0,0|2,0,0]=4 234 B16R2.22857 NC1=CC=CC2=CC(S(=O)(=O)O)=CC=C12 JZ0107 [0,2,0,0,0,0|2,0,0]=4 235 B16R2.22857 O=S(=O)(Cl)C1=CC=C2C(Cl)=CC=CC2=C1 RT13209 [0,2,0,0,0,0|2,0,0]=4 236 B16R2.22857 O=S(=O)([O-])C1=CC=C2C(Cl)=CC=CC2=C1 RT5972 [0,2,0,0,0,0|2,0,0]=4 237 B16R2.126901 NC1=CC=CC2=CC=C(S(=O)(=O)O)C=C12 JZ0012 [0,2,0,0,0,0|2,0,0]=4 238 B16R2.7486 CN(C)C1=CC=C2C=C(C=O)C=CC2=C1 YH39973 [0,2,0,0,0,0|2,0,0]=4 239 B16R2.7486 COC1=CC2=CC=C(C(=O)O)C=C2C=C1 HL2247 [0,2,0,0,0,0|1,0,0]=3 240 B16R2.7486 COC1=CC=C2C=C(C(C)=O)C=CC2=C1 LQ2571 [0,2,0,0,0,0|0,0,0]=2 241 B16R2.23501 O=C(O)C1=NC2=CC=C(Br)C=C2C(Cl)=C1 HL4832 [0,2,0,0,0,0|2,0,0]=4 242 B16R2.40082 COC1=CC(C(=O)O)=NC2=C1C=CC=C2 LQ3905 [0,2,0,0,0,0|2,0,0]=4 243 B16R2.189541 NCC1=CC=CC2=CC=C(C(=O)O)C=C21 YH36432 [0,2,0,0,0,0|1,0,0]=3 244 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 YH27835 [0,0,1,1,0,0|1,0,1]=4 245 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 XJ1058 [0,0,1,1,0,0|2,0,0]=4 246 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 LQ2568 [0,0,1,1,0,0|1,0,1]=4 247 B14R2.31359 C[C@H](O)C1=C2C=CC=CC2=CC=C1 YH37532 [0,0,1,1,0,0|0,0,2]=4 248 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 XJ2115 [0,0,1,1,0,0|1,0,0]=3 249 B14R2.31359 O=C(Cl)C1=CC=CC2=CC=CC=C21 HL0485 [0,0,1,1,0,0|1,0,0]=3 250 B14R2.31359 O=C(O)C1=C2C=CC=NC2=CC=C1 LT1956 [0,0,1,1,0,0|2,0,0]=4 251 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 LQ0184 [0,0,1,1,0,0|1,0,0]=3 252 B16R3.335 CC1=CC2=C(C=CC3=CC=CC=C32)N1 LQ5352 [0,0,0,1,0,1|1,0,0]=3 253 B16R3.335 CC1=NC2=C3C=CC=CC3=CC=C2S1 LT1793 [0,0,0,1,0,1|1,0,0]=3 254 B16R3.2273 CC1=NC2=CC3=CC=CC=C3C=C2O1 XJ4556 [0,0,0,1,0,1|0,0,1]=3 255 B12R2.1 CCN1C=CC2=CC=CC=C21 JZ3474 [1,0,0,0,1,0|1,0,1]=4 256 B12R2.1 O=CC1=CNC2=C1C=CC=C2 LT2996 [1,0,0,0,1,0|1,0,0]=3 257 B12R2.1 O=CC1=CSC2=CC=CC=C12 YH05980 [1,0,0,0,1,0|1,0,0]=3 258 B12R2.1 O=CC1=NNC2=CC=CC=C21 LQ2784 [1,0,0,0,1,0|2,0,0]=4 259 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [1,0,0,0,1,0|0,0,2]=4 260 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 LQ2500 [1,0,0,0,1,0|1,0,1]=4 261 B12R2.32 O=CC1=CC2=CC=CC=C2S1 JZ2317 [1,0,0,0,1,0|1,0,0]=3 262 B12R2.44 C(=O)C1=CC=C2C=CNC2=C1 LT7615 [1,0,0,0,1,0|1,0,0]=3 263 B12R2.44 COC1=CC2=C(C=C1)OC=C2 YH32293 [1,0,0,0,1,0|2,0,0]=4 264 B12R2.44 COC1=CC2=C(C=CC2)C=C1 YH66031 [1,0,0,0,1,0|1,0,1]=4 265 B12R2.44 COC1=CC=C2C=CNC2=C1 JZ2243 [1,0,0,0,1,0|2,0,0]=4 266 B12R2.44 COC1=CC=C2NC=CC2=C1 JZ1178 [1,0,0,0,1,0|2,0,0]=4 267 B12R2.44 CSC1=CC=C2NC=CC2=C1 YH18210 [1,0,0,0,1,0|2,0,0]=4 268 B12R2.44 O=CC1=CC2=CC=NN2C=C1 YH66300 [1,0,0,0,1,0|2,0,0]=4 269 B12R2.44 O=CC1=CC=C2SC=CC2=C1 LT0722 [1,0,0,0,1,0|1,0,0]=3 270 B12R2.1384 O=C(O)C1=CC=C2C=CC2=C1 LX2808 [0,0,0,0,2,0|1,0,0]=3 271 B14R2.1008 CC(=O)CC1=CC=C2C=COC2=C1 RT4521 [0,0,0,0,1,1|1,0,0]=3 272 B16R2.477 CC(C)COC1=CC=C2C=CC=CC2=C1 JZ1900 [0,0,0,0,0,2|1,0,1]=4 273 B16R2.477 OC(=O)COC1=CC2=CC=CC=C2C=C1 LL0466 [0,0,0,0,0,2|1,0,0]=3