0 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 JZ3684 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=C(C)C=C2C=CC=CC2=C1 XJ0981 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl LT0819 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br JZ4319 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Cl HL1184 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.369 O=C1OC2=CC=CC=C2C=C1O LT6806 [0,0,0,0,0,0|0,0,0]=0 6 B13R2.369 OC1=CC2=CC=CC=C2C=C1O HL1183 [0,0,0,0,0,0|1,0,1]=2 7 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 YH56008 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 LQ0656 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 XJ0974 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 XJ2819 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 LQ5444 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 XJ5183 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 RT7804 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 LT6482 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 YH57423 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 LX2552 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 CC1=CC2=CC=CC=C2C=C1 LT6594 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HL0684 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HL0146 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 CC1=CC=C2C=CC=NC2=C1 JZ0093 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 CC1=CC=C2C=CC=NC2=N1 JZ4663 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 CC1=CC=C2C=CN=CC2=C1 YH06101 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 CC1=CC=C2C=NC=CC2=C1 YH01057 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 CC1=CC=C2N=CC=CC2=C1 XJ0200 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 YH95514 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 HL0145 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 HL0147 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 LT5829 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 CJ2875 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 NC1=CC2=CC=CC=C2C=N1 XJ4820 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 NC1=CC2=CN=CC=C2C=C1 YH65501 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 NC1=CC=C2C=CC=NC2=C1 XJ0978 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 NC1=CC=C2C=NC=CC2=C1 XJ4720 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 NC1=CC=C2N=CC=CC2=C1 LT0988 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 NC1=CC=C2N=CC=CC2=C1 XJ0975 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 NC1=NC2=CC=CC=C2C=C1 LT0815 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.24 NC1=NC2=CC=CC=C2N=C1 RT2504 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 NC1=NC2=CC=CN=C2C=C1 LX2121 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 NC1=NC2=CC=NC=C2C=C1 YH66326 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 NC1=NC2=CN=CC=C2C=C1 CJ2927 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [1,0,0,0,0,0|1,0,0]=2 42 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [1,0,0,0,0,0|0,0,0]=1 43 B12R2.24 O=C1C=CC2=CC=NC=C2N1 CJ2926 [1,0,0,0,0,0|2,0,0]=3 44 B12R2.24 O=C1C=NC2=CC=CC=C2N1 LT2094 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [1,0,0,0,0,0|1,0,0]=2 46 B12R2.24 O=N1=CC2=CC=CC=C2C=C1 LQ1854 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 LQ3306 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [1,0,0,0,0,0|1,0,0]=2 49 B12R2.24 OC1=CC2=CC=CC=C2N=C1 XJ0977 [1,0,0,0,0,0|1,0,0]=2 50 B12R2.24 OC1=CC=C2C=CC=NC2=C1 XJ0979 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 OC1=CC=C2N=CC=CC2=C1 JZ1203 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [1,0,0,0,0,0|1,0,1]=3 53 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [1,0,0,0,0,0|1,0,1]=3 54 B12R2.24 SC1=CC=C2C=CC=CC2=C1 LT1182 [1,0,0,0,0,0|1,1,0]=3 55 B12R2.24 SC1=NC2=CC=CC=C2C=C1 LT0848 [1,0,0,0,0,0|1,1,0]=3 56 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl LT0826 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.8188 O=C1CC2=C(C=CC=C2)C(=O)N1O RT8466 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.8239 ClC1=CC2=CC(Cl)=C(Cl)C=C2C=C1 RT6310 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 LT7711 [0,1,0,0,0,0|2,0,1]=4 60 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)NC1=O LQ0652 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 JZ1904 [0,0,1,0,0,0|1,0,0]=2 62 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [0,0,1,0,0,0|1,0,1]=3 63 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [0,0,1,0,0,0|1,0,1]=3 64 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [0,0,1,0,0,0|1,0,2]=4 65 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O YH66331 [0,0,1,0,0,0|2,0,1]=4 66 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [0,0,1,0,0,0|1,0,2]=4 67 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [0,0,1,0,0,0|1,0,0]=2 68 B12R1.43 O=C(O)C(=O)NC1=NC=CC=C1 RT4315 [0,0,1,0,0,0|2,0,1]=4 69 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [0,0,1,0,0,0|1,0,2]=4 70 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [0,0,1,0,0,0|0,0,2]=3 71 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [0,0,1,0,0,0|1,0,2]=4 72 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [0,0,1,0,0,0|0,0,2]=3 73 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [0,0,1,0,0,0|1,0,0]=2 74 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 RT7777 [0,0,1,0,0,0|2,0,0]=3 75 B12R1.371 C=CC(=O)NC1=CC=CC=C1[Hg+] RT3262 [0,0,1,0,0,0|3,0,0]=4 76 B12R2.18 CC1=C2C=COC=C2OC1=O RT14174 [0,0,0,0,1,0|2,0,0]=3 77 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [0,0,0,0,1,0|2,0,1]=4 78 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,0,0,0,1,0|1,0,2]=4 79 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,0,0,0,1,0|3,0,0]=4 80 B12R2.18 ClC1=C(Cl)C2=C(C=CC=C2)N1 RT8298 [0,0,0,0,1,0|3,0,0]=4 81 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,0,0,0,1,0|1,0,2]=4 82 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [0,0,0,0,1,0|1,0,1]=3 83 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 LQ2402 [0,0,0,0,1,0|2,0,1]=4 84 B14R2.738 O=C1CC(=O)NC2=CC=CC=C2N1 RT8101 [0,0,0,0,0,1|2,0,1]=4 85 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [1,0,1,0,0,0|1,0,1]=4 86 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [1,0,1,0,0,0|1,0,0]=3 87 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [1,0,1,0,0,0|1,0,1]=4 89 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [1,0,1,0,0,0|1,0,1]=4 90 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 XJ4438 [1,0,1,0,0,0|1,0,0]=3 91 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [1,0,1,0,0,0|1,0,1]=4 92 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [1,0,1,0,0,0|1,0,0]=3 93 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [1,0,1,0,0,0|1,0,0]=3 94 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 YH25200 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [1,0,1,0,0,0|0,0,2]=4 96 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [1,0,1,0,0,0|1,0,1]=4 97 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [1,0,1,0,0,0|0,0,0]=2 98 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [1,0,1,0,0,0|0,0,0]=2 99 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HL0692 [1,0,1,0,0,0|1,0,0]=3 100 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 JZ5354 [1,0,1,0,0,0|1,0,0]=3 101 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 XJ2849 [1,0,1,0,0,0|1,0,0]=3 102 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 LQ3273 [1,0,1,0,0,0|1,0,0]=3 103 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [1,0,1,0,0,0|0,0,1]=3 104 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [1,0,1,0,0,0|0,0,1]=3 105 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 LQ2816 [1,0,1,0,0,0|1,0,1]=4 106 B11R1.17 O=C\C=C\C1=CC=CC=C1Br HL3477 [1,0,1,0,0,0|1,0,0]=3 107 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl HL3476 [1,0,1,0,0,0|1,0,0]=3 108 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl XJ1942 [1,0,1,0,0,0|1,0,0]=3 109 B11R1.17 O=C\C=C\C1=CC=CC=C1F LL2290 [1,0,1,0,0,0|1,0,0]=3 110 B11R1.86 CC(=O)OC1=CC=CC=C1Br RT11882 [1,0,1,0,0,0|1,0,1]=4 111 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [1,0,1,0,0,0|1,0,1]=4 112 B11R1.86 O=C(Cl)OC1=CC=CC=C1Cl XJ4468 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [1,0,1,0,0,0|1,0,1]=4 114 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [1,0,1,0,0,0|1,0,1]=4 115 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [1,0,1,0,0,0|1,0,1]=4 116 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [1,0,1,0,0,0|0,1,1]=4 117 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [1,0,1,0,0,0|0,0,2]=4 118 B11R2.20 C1=CC=C2C=CC=CC2=C1 HL4449 [2,0,0,0,0,0|1,0,0]=3 119 B11R2.20 C1=CC=C2N=CC=CC2=C1 LT2174 [2,0,0,0,0,0|1,0,0]=3 120 B11R2.20 C1=CC=C2N=CC=CC2=C1 RT9222 [2,0,0,0,0,0|1,0,0]=3 121 B11R2.20 C1=CC=C2N=CC=CC2=C1 XJ5007 [2,0,0,0,0,0|1,0,0]=3 122 B11R2.20 C1=CC=C2N=CN=CC2=C1 LQ0671 [2,0,0,0,0,0|2,0,0]=4 123 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 RT1503 [0,1,1,0,0,0|1,0,1]=4 124 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 YH48351 [0,1,1,0,0,0|0,0,2]=4 125 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 RT12989 [0,1,1,0,0,0|0,1,0]=3 126 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC HL2463 [0,1,1,0,0,0|1,0,1]=4 127 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 YH33191 [0,1,1,0,0,0|0,0,2]=4 128 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O RT5148 [0,1,1,0,0,0|0,0,2]=4 129 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O RT5153 [0,1,1,0,0,0|0,0,2]=4 130 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O RT5159 [0,1,1,0,0,0|0,0,2]=4 131 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O HL0622 [0,1,1,0,0,0|1,0,0]=3 132 B13R1.418 NO[C@@H](CC1=CC=CC=C1)C(=O)O RT5550 [0,1,1,0,0,0|0,0,2]=4 133 B13R2.32 CC1=CC=C2C=CC=CC2=C1C JZ3812 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 LX2061 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.32 FC1=CC=C2C=CC=CC2=C1Br RT12025 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 JZ3811 [1,1,0,0,0,0|1,0,0]=3 137 B13R2.32 OC1=CC=C2C=CC=CC2=C1Cl LQ1312 [1,1,0,0,0,0|1,0,0]=3 138 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 JZ4211 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 YH59268 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.57 COC1=CC2=CC=CC=C2C=C1 RT10627 [1,1,0,0,0,0|1,0,0]=3 141 B13R2.57 COC1=CC=C2N=CC=CC2=C1 JZ2656 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.57 COC1=NC2=CC=CC=C2C=C1 YH65567 [1,1,0,0,0,0|1,0,1]=4 143 B13R2.57 CSC1=CC=C2C=CC=CC2=C1 JZ3145 [1,1,0,0,0,0|1,1,0]=4 144 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 HL2608 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 YH44475 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 YH08037 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 XJ2111 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 XJ0056 [1,1,0,0,0,0|1,0,0]=3 149 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 LT6847 [1,1,0,0,0,0|1,0,1]=4 150 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 YH03353 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 XJ2631 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 LT6065 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 CJ2744 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.155 BrC1=CC=C2N=CC(Br)=CC2=C1 HL4367 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 LT0781 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.155 CC1=CC=C2C=CC(Cl)=CC2=N1 LT3733 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.155 CC1=NC2=CC(Br)=CC=C2C=C1 XJ2818 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.155 NC1=CC2=C(C=CC(=O)O2)C=C1 RT3068 [1,1,0,0,0,0|0,0,0]=2 159 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 YH47683 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 LX2615 [1,1,0,0,0,0|1,0,0]=3 161 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 LT3830 [1,1,0,0,0,0|0,0,0]=2 162 B13R2.155 O=C1C=NC2=CC=C(Br)C=C2N1 YH88068 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 LT1042 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 LT3379 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 YH01996 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 JZ0005 [1,1,0,0,0,0|1,0,0]=3 167 B13R2.162 O=C1C=CC2=C(N1)C(Br)=CN=C2 HL4886 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 YH15444 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 YH53964 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.162 OC1=CC=C2C=CC=C(O)C2=N1 RT9642 [1,1,0,0,0,0|1,0,1]=4 171 B13R2.162 OC1=NC2=C(Cl)C=CC=C2C=C1 YH48675 [1,1,0,0,0,0|1,0,1]=4 172 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 JZ3930 [1,1,0,0,0,0|0,0,0]=2 173 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 LQ1314 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.328 CC1=CC(N)=C2C=CC=CC2=C1 YH65546 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 JZ3928 [1,1,0,0,0,0|1,0,1]=4 176 B13R2.328 CC1=CC2=CC=CC=C2N(=O)=C1 HL2055 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.328 ClC1=CC(Cl)=C2C=CC=CC2=N1 RT10511 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.328 O=C1C=C(O)SC2=CC=CC=C12 RT10398 [1,1,0,0,0,0|0,1,1]=4 179 B13R2.328 O=C1N=C(Cl)C2=C(C=CC=C2)N1 RT8775 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 YH90958 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 XJ2030 [1,1,0,0,0,0|1,0,0]=3 182 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 LQ0592 [1,1,0,0,0,0|1,0,0]=3 184 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 LQ4643 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 XJ0982 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 CJ3121 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 JZ0660 [1,1,0,0,0,0|0,0,0]=2 188 B13R2.3683 CC1=NC2=CC=C(O)C=C2C=C1 HL0154 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.3683 ClC1=CC=C2C=C(Cl)C=NC2=C1 RT0612 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 YH29533 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 CJ2999 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 XJ1964 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 RT7721 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 RT1626 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=C1 YH19064 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 RT7720 [1,1,0,0,0,0|1,0,0]=3 197 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 RT14111 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 LT3651 [1,1,0,0,0,0|1,0,0]=3 199 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=N1 CJ2827 [1,1,0,0,0,0|1,0,1]=4 200 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 XJ0983 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.3683 OC1=NC2=CC=C(Cl)C=C2N=C1 XJ2137 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 JZ0094 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 YH06375 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 RT8644 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 RT18821 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 JZ0008 [1,1,0,0,0,0|1,0,0]=3 207 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 YH04062 [0,1,0,0,1,0|2,0,0]=4 208 B13R2.3028 CC1=CC2=C(C)C(=O)OC2=CO1 RT14177 [0,1,0,0,1,0|2,0,0]=4 209 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O LQ0209 [0,1,0,0,1,0|1,0,1]=4 210 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O XJ4589 [0,1,0,0,1,0|1,0,1]=4 211 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O LT7340 [0,1,0,0,1,0|1,0,0]=3 212 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 YH25224 [0,1,0,0,1,0|1,0,1]=4 213 B13R2.4825 CC1=C2OC(=O)C(C)=C2C=CO1 RT14176 [0,1,0,0,1,0|2,0,0]=4 214 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O XJ4588 [0,1,0,0,1,0|1,0,1]=4 215 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O LT3232 [0,1,0,0,1,0|1,0,1]=4 216 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O XJ0642 [0,1,0,0,1,0|1,0,1]=4 217 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O XJ4587 [0,1,0,0,1,0|1,0,1]=4 218 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O YH11302 [0,1,0,0,1,0|1,0,1]=4 219 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O LQ0705 [0,1,0,0,1,0|1,0,1]=4 220 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O LQ3084 [0,1,0,0,1,0|1,0,1]=4 221 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O LQ3101 [0,1,0,0,1,0|1,0,1]=4 222 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O YH54394 [0,1,0,0,1,0|1,0,1]=4 223 B15R2.117 O=CC1=C(C=O)C=C2C=CC=CC2=C1 RT0266 [0,2,0,0,0,0|1,0,1]=4 224 B15R2.117 OCC1=C(CO)C=C2C=CC=CC2=C1 RT12491 [0,2,0,0,0,0|1,0,1]=4 225 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O LL0929 [0,2,0,0,0,0|0,0,0]=2 226 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O LT6192 [0,2,0,0,0,0|1,0,0]=3 227 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O XJ1983 [0,2,0,0,0,0|1,0,0]=3 228 B15R2.984 OC(=O)C1=C(N)C=C2C=CC=CC2=C1 LQ2973 [0,2,0,0,0,0|2,0,0]=4 229 B15R2.63893 CC1=C(Cl)C(=O)OC2=CC(O)=CC=C21 RT12620 [0,2,0,0,0,0|1,0,0]=3 230 B13R2.423 O=C(O)[C@H]1O[C@@H]1C2=CC=CC=C2 RT15458 [0,0,1,1,0,0|0,0,2]=4 231 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 LT0223 [0,0,1,1,0,0|2,0,0]=4 232 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 RT13045 [0,0,1,1,0,0|1,1,0]=4 233 B13R2.435 CC(=O)C1=NC2=CC=CC=C2O1 LX2137 [0,0,1,1,0,0|2,0,0]=4 234 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)S1 LQ3051 [0,0,1,1,0,0|1,1,0]=4 235 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 LT7666 [0,0,1,1,0,0|1,0,0]=3 236 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 LQ3050 [0,0,1,1,0,0|0,1,0]=3 237 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 LQ2295 [0,0,1,1,0,0|2,0,0]=4 238 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 YH46495 [0,0,1,1,0,0|1,0,0]=3 239 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 LT6981 [0,0,1,1,0,0|1,0,1]=4 240 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 LL0879 [0,0,1,0,1,0|1,0,0]=3 241 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [0,0,1,0,1,0|0,0,2]=4 242 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 JZ0158 [0,0,1,0,1,0|1,0,1]=4 243 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 LT4728 [0,0,1,0,1,0|1,0,1]=4 244 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 YH52440 [0,0,1,0,1,0|1,0,1]=4 245 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [0,0,1,0,1,0|1,0,1]=4 246 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [0,0,1,0,1,0|0,0,1]=3 247 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 XJ2766 [0,0,1,0,1,0|1,0,1]=4 248 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 YH66089 [0,0,1,0,1,0|1,0,1]=4 249 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [0,0,1,0,1,0|0,0,1]=3 250 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [0,0,1,0,1,0|0,0,1]=3 251 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [0,0,1,0,1,0|0,0,1]=3 252 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [0,0,1,0,1,0|0,0,1]=3 253 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [0,0,1,0,1,0|0,0,1]=3 254 B11R1.36 [C@H](C)(C(=O)O)C1=CC=CC=C1 JZ0854 [0,0,1,0,1,0|1,0,1]=4 255 B11R1.222 O=C(NO)C1=CC=CC=C1O JZ1752 [0,0,1,0,1,0|2,0,0]=4 256 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [1,0,0,0,1,0|2,0,0]=4 257 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,0,1,0|1,0,1]=4 258 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [1,0,0,0,1,0|1,0,0]=3 259 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [1,0,0,0,1,0|1,1,0]=4 260 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [1,0,0,0,1,0|2,0,0]=4 261 B11R2.1 CC1C=CC2=CC=CC=C21 YH65581 [1,0,0,0,1,0|1,0,1]=4 262 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [1,0,0,0,1,0|2,0,0]=4 263 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [1,0,0,0,1,0|2,0,0]=4 264 B11R2.1 NN1C=CC2=CC=CC=C21 LQ5244 [1,0,0,0,1,0|2,0,0]=4 265 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [1,0,0,0,1,0|0,0,0]=2 266 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,0,1,0|0,0,2]=4 267 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [1,0,0,0,1,0|0,0,2]=4 268 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [1,0,0,0,1,0|1,0,1]=4 269 B11R2.1 O=C1NOC2=CC=CC=C12 LQ4291 [1,0,0,0,1,0|1,0,1]=4 270 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [1,0,0,0,1,0|2,0,0]=4 271 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [1,0,0,0,1,0|1,0,0]=3 272 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [1,0,0,0,1,0|1,1,0]=4 273 B11R2.10 CC1=CC2=CC=CC=C2N1 LQ0261 [1,0,0,0,1,0|2,0,0]=4 274 B11R2.10 CC1=CC2=CC=CC=C2O1 LQ2633 [1,0,0,0,1,0|1,0,0]=3 275 B11R2.10 CC1=NC2=CC=CC=C2O1 LT6591 [1,0,0,0,1,0|2,0,0]=4 276 B11R2.10 NC1=CC2=C(C=CC=C2)N1 RT15983 [1,0,0,0,1,0|2,0,0]=4 277 B11R2.10 O=C1C=C2C=COC=C2O1 RT14175 [1,0,0,0,1,0|1,0,0]=3 278 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [1,0,0,0,1,0|1,0,1]=4 279 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [1,0,0,0,1,0|1,0,1]=4 280 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [1,0,0,0,1,0|0,1,1]=4 281 B11R2.10 O=C1N=C2C=CC=CC2=N1 YH01415 [1,0,0,0,1,0|2,0,0]=4 282 B11R2.10 O=C1NC2=CC=CC=C2O1 LT0282 [1,0,0,0,1,0|1,0,0]=3 283 B11R2.10 O=C1NC2=NC=CC=C2O1 RT7818 [1,0,0,0,1,0|2,0,0]=4 284 B11R2.10 OC1=NC2=C(C=CC=C2)S1 JZ4289 [1,0,0,0,1,0|1,1,0]=4 285 B11R2.10 OC1=NN2C=CC=CC2=C1 YH09246 [1,0,0,0,1,0|2,0,0]=4 286 B11R2.10 SC1=NC2=C(C=CC=C2)O1 LT2020 [1,0,0,0,1,0|1,1,0]=4 287 B11R2.36 OC1=CC=C2C=CNC2=C1 LQ2181 [1,0,0,0,1,0|2,0,0]=4 288 B11R2.36 OC1=CC=C2NC=CC2=C1 JZ1816 [1,0,0,0,1,0|2,0,0]=4 289 B11R2.36 OC1=CC=C2OC=CC2=C1 YH31792 [1,0,0,0,1,0|2,0,0]=4 290 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 LX2424 [0,0,1,0,0,1|1,0,1]=4 291 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 LX2070 [0,0,1,0,0,1|0,0,2]=4