0 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O LQ3084 [0,0,0,0,0,0|1,1,1]=3 1 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O LQ3101 [0,0,0,0,0,0|1,1,1]=3 2 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O YH54394 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.18 CC1C(=O)NC2=C1C=CC=N2 RT15552 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.18 ClC1=C(Cl)C2=C(C=CC=C2)N1 RT8298 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 JZ4489 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 JZ4380 [1,0,0,0,0,0|2,1,0]=4 10 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 LQ0751 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 JZ3731 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.606 CC1=CC2=CC(N)=CC=C2N1 LT5845 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.606 CC1=NC2=CC=C(I)C=C2N1 YH66367 [1,0,0,0,0,0|1,1,1]=4 14 B12R2.606 FC1=CC=C2N=C(Br)SC2=C1 YH36458 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 LX2743 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 XJ4617 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.606 NC1=NC2=CC=C(F)C=C2S1 LT1968 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 XJ6692 [1,0,0,0,0,0|1,1,0]=3 19 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 LQ5396 [1,0,0,0,0,0|1,0,0]=2 20 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 CJ2887 [1,0,0,0,0,0|1,1,0]=3 21 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 JZ1167 [1,0,0,0,0,0|1,1,0]=3 22 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 LT3275 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 LX2841 [1,0,0,0,0,0|2,1,0]=4 24 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 YH27372 [1,0,0,0,0,0|2,1,0]=4 25 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 LT6085 [1,0,0,0,0,0|1,0,0]=2 26 B12R2.606 O=C1CC2=CC(O)=CC=C2O1 RT7759 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 LT3654 [1,0,0,0,0,0|1,1,0]=3 28 B12R2.606 O=C1CC2=CC=C(O)C=C2N1 JZ3003 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 YH33240 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 LT3533 [1,0,0,0,0,0|1,1,0]=3 31 B12R2.606 O=C1NC2=CC=C(F)C=C2S1 YH11468 [1,0,0,0,0,0|1,0,0]=2 32 B12R2.606 OC1=CC=C2NC(=S)NC2=C1 RT14982 [1,0,0,0,0,0|1,1,0]=3 33 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JZ3361 [1,0,0,0,0,0|2,1,0]=4 34 B12R2.612 CN1C=CC2=CC(N)=CC=C21 HL3112 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.27750 O=C1NC2=CC(Cl)=CC(Cl)=C2C1=O LQ4082 [0,1,0,0,0,0|1,1,1]=4 36 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 LQ0515 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 LQ4697 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 LQ3229 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 RT5099 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 JZ3059 [0,0,1,0,0,0|2,1,0]=4 41 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 LL0881 [0,0,1,0,0,0|2,1,0]=4 42 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 HL1770 [0,0,1,0,0,0|2,0,0]=3 43 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 JZ4498 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 RT11186 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 YH54312 [0,0,1,0,0,0|2,1,0]=4 46 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 HL0709 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.268 COC1=CC=C(N)C=C1NC=O RT1632 [0,0,1,0,0,0|3,0,0]=4 48 B14R2.8239 O=C1NC2=C(C=C(Cl)C=C2)NC1=O LQ0652 [0,0,0,0,0,1|1,1,1]=4 49 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 YH17848 [0,0,0,0,0,1|1,1,1]=4 50 B14R2.29365 O=C1NC2=C(C=CC(Cl)=C2)C(=O)O1 YH00305 [0,0,0,0,0,1|1,1,1]=4 51 B14R2.29365 O=C1NC2=CC(F)=CC=C2C(=O)O1 YH54280 [0,0,0,0,0,1|1,0,1]=3 52 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 HL1838 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 LL0348 [1,0,1,0,0,0|1,1,0]=4 54 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 XJ0481 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 RT12770 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 HL0695 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JZ4004 [1,0,1,0,0,0|1,0,0]=3 58 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 XJ4357 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 XJ0550 [1,0,1,0,0,0|0,1,0]=3 60 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 XJ1279 [1,0,1,0,0,0|0,0,0]=2 61 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 XJ2569 [1,0,1,0,0,0|0,2,0]=4 62 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 HL1839 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 LT3076 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 LQ2649 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 LL0985 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 HL0043 [1,0,1,0,0,0|1,1,0]=4 78 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 LQ0740 [1,0,1,0,0,0|1,0,0]=3 79 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 YH66558 [1,0,1,0,0,0|1,1,0]=4 81 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 XJ4094 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 LT3102 [1,0,1,0,0,0|1,0,0]=3 83 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 LQ1956 [1,0,1,0,0,0|1,1,0]=4 84 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 LQ1954 [1,0,1,0,0,0|1,1,0]=4 85 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 LT6766 [1,0,1,0,0,0|1,1,0]=4 86 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 LT3028 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.157 O=C(O)CC1=CC=CC(S)=C1 RT19096 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.37 COC1=CC=C(F)C=C1C=O XJ4487 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.81 CC1=CC=C(NC=O)C(C)=C1 RT2672 [1,0,1,0,0,0|2,0,0]=4 90 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 YH45406 [1,0,1,0,0,0|1,1,0]=4 92 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 LT0240 [1,0,1,0,0,0|1,1,0]=4 93 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [1,0,1,0,0,0|1,0,0]=3 94 B11R1.166 NC1=C([N+](=O)[O-])C=CC(F)=C1 LQ2105 [1,0,1,0,0,0|0,0,2]=4 95 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [1,0,1,0,0,0|2,0,0]=4 96 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [1,0,1,0,0,0|2,0,0]=4 98 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [2,0,0,0,0,0|2,0,0]=4 99 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [2,0,0,0,0,0|2,0,0]=4 100 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [2,0,0,0,0,0|2,0,0]=4 101 B11R2.1 NN1C=CC2=CC=CC=C21 LQ5244 [2,0,0,0,0,0|2,0,0]=4 102 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [2,0,0,0,0,0|1,0,0]=3 103 B11R2.1 ON1N=NC2=CC=CC=C21 LT7863 [2,0,0,0,0,0|1,0,1]=4 104 B11R2.1 ON1N=NC2=CC=CC=C21 RT15166 [2,0,0,0,0,0|1,0,1]=4 105 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [2,0,0,0,0,0|1,1,0]=4 106 B11R2.10 CC1=CC2=CC=CC=C2N1 LQ0261 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.10 NC1=CC2=C(C=CC=C2)N1 RT15983 [2,0,0,0,0,0|2,0,0]=4 108 B11R2.10 NC1=NC2=C(C=CC=C2)N1 LT6425 [2,0,0,0,0,0|1,0,1]=4 109 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [2,0,0,0,0,0|1,0,0]=3 110 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [2,0,0,0,0,0|2,0,0]=4 112 B11R2.10 O=C1CC2=NC=CC=C2N1 XJ5078 [2,0,0,0,0,0|2,0,0]=4 113 B11R2.10 O=C1N=C2C=CC=CC2=N1 YH01415 [2,0,0,0,0,0|0,0,2]=4 114 B11R2.10 O=C1NC2=CC=CC=C2O1 LT0282 [2,0,0,0,0,0|1,0,0]=3 115 B11R2.10 O=C1NC2=NC=CC=C2O1 RT7818 [2,0,0,0,0,0|2,0,0]=4 116 B11R2.10 SC1=NC2=CC=CC=C2N1 RT9298 [2,0,0,0,0,0|0,1,1]=4 117 B11R2.10 SC1NC2=C(C=CC=C2)N1 LQ5320 [2,0,0,0,0,0|0,1,1]=4 118 B11R2.10 [S-]C1=NC2=CC=CC=C2N1 XJ2390 [2,0,0,0,0,0|0,1,1]=4 119 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 RT8282 [2,0,0,0,0,0|1,1,0]=4 120 B11R2.36 BrC1=CC=C2NC=CC2=C1 CJ2745 [2,0,0,0,0,0|1,1,0]=4 121 B11R2.36 CC1=CC=C2NC=CC2=C1 HL0196 [2,0,0,0,0,0|2,0,0]=4 122 B11R2.36 ClC1=CC=C2NC=CC2=C1 LT3231 [2,0,0,0,0,0|1,1,0]=4 123 B11R2.36 FC1=CC2=C(C=C1)NN=C2 LQ0710 [2,0,0,0,0,0|2,0,0]=4 124 B11R2.36 FC1=CC=C2C=CNC2=C1 HL1788 [2,0,0,0,0,0|1,0,0]=3 125 B11R2.36 FC1=CC=C2C=CNC2=N1 YH94122 [2,0,0,0,0,0|2,0,0]=4 126 B11R2.36 FC1=CC=C2NC=CC2=C1 LQ0746 [2,0,0,0,0,0|1,0,0]=3 127 B11R2.36 FC1=CN=C2C=CNC2=C1 YH27419 [2,0,0,0,0,0|2,0,0]=4 128 B11R2.36 NC1=CC=C2C=CNC2=C1 JZ2706 [2,0,0,0,0,0|2,0,0]=4 129 B11R2.36 NC1=CC=C2NC=CC2=C1 LQ2833 [2,0,0,0,0,0|2,0,0]=4 130 B11R2.36 NC1=CC=C2NC=NC2=C1 YH96509 [2,0,0,0,0,0|1,0,1]=4 131 B11R2.36 OC1=CC=C2C=CNC2=C1 LQ2181 [2,0,0,0,0,0|2,0,0]=4 132 B11R2.36 OC1=CC=C2NC=CC2=C1 JZ1816 [2,0,0,0,0,0|2,0,0]=4 133 B13R1.21 CNC(=O)N(C)C1=CC=C(Cl)C=C1 LQ0606 [0,1,1,0,0,0|1,1,0]=4 134 B13R1.2879 CNC(=O)NC1=CC=C(Cl)C(Cl)=C1 RT3465 [0,1,1,0,0,0|1,1,0]=4 135 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 YH43087 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.3028 CN1C(=O)NC2=CC=C(Cl)N=C21 YH94004 [1,1,0,0,0,0|2,0,0]=4 137 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O LQ0209 [1,1,0,0,0,0|1,0,1]=4 138 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O XJ4589 [1,1,0,0,0,0|1,0,1]=4 139 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 YH53599 [1,1,0,0,0,0|1,0,0]=3 140 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 YH25224 [1,1,0,0,0,0|1,0,1]=4 141 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O XJ4588 [1,1,0,0,0,0|1,0,1]=4 142 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O LT3232 [1,1,0,0,0,0|1,0,1]=4 143 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O XJ0642 [1,1,0,0,0,0|1,0,1]=4 144 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O XJ4587 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O YH11302 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O LQ0705 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.2121 COC1=CC=C2CC(=O)NC2=C1 YH18068 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.2121 COC1=CC=C2NC(=O)CC2=C1 YH18067 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.3050 CC1=CC2=C(F)C(F)=CC=C2N1 HL4773 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.5397 NC1=C2OC(=O)NC2=CC(Cl)=C1 RT4577 [1,1,0,0,0,0|1,1,0]=4 151 B13R2.13083 CC1=C(N)C=C2NC(=O)NC2=C1 HL4304 [1,1,0,0,0,0|1,0,0]=3 152 B13R2.13083 NC1=C(N)C=C2SC(=O)NC2=C1 RT14090 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.13083 O=C1CC2=CC(F)=C(Cl)C=C2N1 YH20469 [1,1,0,0,0,0|1,0,0]=3 154 B13R2.662 O=CC1=CNC2=C1C=CC(F)=C2 HL2368 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.155 O=C1COC2=CC=C(Br)C=C2N1 XJ4779 [0,0,1,1,0,0|1,1,0]=4 156 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 LQ2111 [0,0,1,1,0,0|2,0,0]=4 157 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [0,0,1,0,1,0|2,0,0]=4 158 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 XJ0840 [0,0,1,0,1,0|1,0,0]=3 159 B13R2.328 O=C1N=C(Cl)C2=C(C=CC=C2)N1 RT8775 [1,0,0,0,0,1|2,0,0]=4 160 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 YH90958 [1,0,0,0,0,1|1,0,1]=4 161 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [1,0,0,0,0,1|1,0,1]=4 162 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br JZ4319 [1,0,0,0,0,1|2,0,0]=4 163 B13R2.369 O=C1OC2=CC=CC=C2C=C1O LT6806 [1,0,0,0,0,1|2,0,0]=4 164 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 RT7720 [1,0,0,0,0,1|1,1,0]=4 165 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 RT14111 [1,0,0,0,0,1|2,0,0]=4 166 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 YH43343 [1,0,0,0,0,1|1,1,0]=4 167 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 YH54618 [1,0,0,0,0,1|1,1,0]=4 168 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 LT1317 [1,0,0,0,0,1|2,0,0]=4