0 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 YH25224 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.4825 CC1=C2OC(=O)C(C)=C2C=CO1 RT14176 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O XJ4588 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O LT3232 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O XJ0642 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.18 CC1C(=O)NC2=C1C=CC=N2 RT15552 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.18 ClC1=C(Cl)C2=C(C=CC=C2)N1 RT8298 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.196 CC1=CC=CC2=C1C=CC2C YH65961 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.196 CC1=CNC2=C1C=CC=C2Br YH66642 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.196 CN1C=NC2=C(N)C=CC=C21 LT1578 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.196 OC1=NNC2=C(Br)C=CC=C12 YH93160 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.202 CC1=C2N=C([S-])NC2=CC=C1 HL4159 [1,0,0,0,0,0|0,1,1]=3 15 B12R2.202 CC1=CC2=C(C=CC=C2C)C1 YH65403 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 LT5867 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 YH35534 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 RT2017 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 XJ6693 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 YH65719 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 XJ4615 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 HL4002 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 JZ5699 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 XJ6214 [1,0,0,0,0,0|2,0,0]=3 25 B14R2.7970 CC1=CC=CC2=C1NC(=O)C2(C)C YH43502 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 LL1453 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.225 CC(=O)C(O)C1=CC=CC(Cl)=C1 RT11240 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 HL1768 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.225 O=C(O)C(O)C1=CC=CC(O)=C1 RT6094 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.371 C=CC(=O)NC1=CC=CC=C1[Hg+] RT3262 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [0,0,1,0,0,0|2,0,0]=3 32 B12R1.371 CC1=CC=CC=C1NC(=S)NN HL0176 [0,0,1,0,0,0|1,1,0]=3 33 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 YH66211 [0,0,1,0,0,0|3,0,0]=4 34 B14R2.8045 O=C1NC2=C(O)C=CC=C2C(=O)O1 YH65691 [0,0,0,0,0,1|2,0,1]=4 35 B11R1.159 CC(=O)C1=CC=CC(C)=C1N YH05913 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 LT5949 [1,0,1,0,0,0|1,0,0]=3 37 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 LX3202 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 JZ0027 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br SY0004 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.159 CC1=CC=CC(C(=O)O)=C1F YH53947 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1N LT6588 [1,0,1,0,0,0|0,0,2]=4 42 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br LX2293 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.159 NC1=C(C(=O)O)C=CC=C1F YH88243 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.159 NC1=C(O)C=CC=C1C(=O)O HL1999 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.159 NC1=CC=CC(C(=O)O)=C1N JZ3891 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 LQ2649 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JZ1417 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 LX2232 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 XJ0179 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 XJ4358 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 LT4732 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 LL0985 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 HL0043 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 LQ0740 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 YH66558 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.86 CC(=O)NC1=CC=CC=C1Cl LL0941 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [1,0,1,0,0,0|1,0,0]=3 66 B11R1.86 CC1=CC=CC=C1NC(N)=O HL0193 [1,0,1,0,0,0|0,0,0]=2 67 B11R1.86 NC(=O)NC1=CC=CC=C1F XJ1260 [1,0,1,0,0,0|1,0,0]=3 68 B11R1.86 NC(=S)NC1=CC=CC=C1Cl XJ2860 [1,0,1,0,0,0|1,1,0]=4 69 B11R1.86 NC(=S)NC1=CC=CC=C1O LQ1826 [1,0,1,0,0,0|1,1,0]=4 70 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.265 CC1=C(C=O)C(C#N)=CC=C1 LT7908 [1,0,1,0,0,0|2,0,0]=4 75 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [2,0,0,0,0,0|2,0,0]=4 76 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [2,0,0,0,0,0|2,0,0]=4 77 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [2,0,0,0,0,0|2,0,0]=4 78 B11R2.1 NN1C=CC2=CC=CC=C21 LQ5244 [2,0,0,0,0,0|2,0,0]=4 79 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [2,0,0,0,0,0|1,0,0]=3 80 B11R2.1 ON1N=NC2=CC=CC=C21 LT7863 [2,0,0,0,0,0|1,0,1]=4 81 B11R2.1 ON1N=NC2=CC=CC=C21 RT15166 [2,0,0,0,0,0|1,0,1]=4 82 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [2,0,0,0,0,0|1,1,0]=4 83 B11R2.10 CC1=CC2=CC=CC=C2N1 LQ0261 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.10 NC1=CC2=C(C=CC=C2)N1 RT15983 [2,0,0,0,0,0|2,0,0]=4 85 B11R2.10 NC1=NC2=C(C=CC=C2)N1 LT6425 [2,0,0,0,0,0|1,0,1]=4 86 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [2,0,0,0,0,0|1,0,0]=3 87 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [2,0,0,0,0,0|2,0,0]=4 88 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [2,0,0,0,0,0|2,0,0]=4 89 B11R2.10 O=C1CC2=NC=CC=C2N1 XJ5078 [2,0,0,0,0,0|2,0,0]=4 90 B11R2.10 O=C1N=C2C=CC=CC2=N1 YH01415 [2,0,0,0,0,0|0,0,2]=4 91 B11R2.10 O=C1NC2=CC=CC=C2O1 LT0282 [2,0,0,0,0,0|1,0,0]=3 92 B11R2.10 O=C1NC2=NC=CC=C2O1 RT7818 [2,0,0,0,0,0|2,0,0]=4 93 B11R2.10 SC1=NC2=CC=CC=C2N1 RT9298 [2,0,0,0,0,0|0,1,1]=4 94 B11R2.10 SC1NC2=C(C=CC=C2)N1 LQ5320 [2,0,0,0,0,0|0,1,1]=4 95 B11R2.10 [S-]C1=NC2=CC=CC=C2N1 XJ2390 [2,0,0,0,0,0|0,1,1]=4 96 B11R2.106 BrC1=C2C=CNC2=CC=C1 XJ5630 [2,0,0,0,0,0|2,0,0]=4 97 B11R2.106 BrC1=C2NC=CC2=CC=C1 LT3613 [2,0,0,0,0,0|2,0,0]=4 98 B11R2.106 CC1=C2N=CNC2=CC=C1 YH03213 [2,0,0,0,0,0|0,0,1]=3 99 B11R2.106 CC1=C2N=NNC2=CC=C1 RT8360 [2,0,0,0,0,0|1,0,1]=4 100 B11R2.106 CC1=CC=CC2=C1C=CC2 YH16258 [2,0,0,0,0,0|2,0,0]=4 101 B11R2.106 CC1=CC=CC2=C1C=CN2 XJ4238 [2,0,0,0,0,0|1,0,0]=3 102 B11R2.106 CC1=CC=CC2=C1NC=C2 LT3620 [2,0,0,0,0,0|1,0,0]=3 103 B11R2.106 CC1=CC=NC2=C1C=CN2 YH88199 [2,0,0,0,0,0|2,0,0]=4 104 B11R2.106 CC1=NC=CC2=C1C=CN2 YH65921 [2,0,0,0,0,0|2,0,0]=4 105 B11R2.106 ClC1=C2C=CNC2=CC=C1 JZ5661 [2,0,0,0,0,0|2,0,0]=4 106 B11R2.106 ClC1=C2NC=CC2=CC=C1 LT3615 [2,0,0,0,0,0|2,0,0]=4 107 B11R2.106 FC1=C2C=CNC2=CC=C1 HL1724 [2,0,0,0,0,0|2,0,0]=4 108 B11R2.106 FC1=C2NC=CC2=CC=C1 YH58579 [2,0,0,0,0,0|2,0,0]=4 109 B11R2.106 NC1=C2C=CNC2=CC=C1 LT2400 [2,0,0,0,0,0|2,0,0]=4 110 B11R2.106 NC1=CC=CC2=C1C=CN2 RT10654 [2,0,0,0,0,0|2,0,0]=4 111 B11R2.106 OC1=C2C=CNC2=CC=C1 RT14408 [2,0,0,0,0,0|2,0,0]=4 112 B11R2.106 OC1=C2N=CNC2=CC=C1 YH13030 [2,0,0,0,0,0|1,0,1]=4 113 B11R2.106 OC1=C2NC=CC2=CC=C1 LT3618 [2,0,0,0,0,0|2,0,0]=4 114 B13R1.470 C\C=C\C(=O)NC1=CC=CC=C1C RT11246 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CN RT11690 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.2135 CCC1=CC=CC(C)=C1NC(C)=O LX1065 [0,1,1,0,0,0|2,0,0]=4 117 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 YH43087 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.3028 CN1C(=O)NC2=CC=C(Cl)N=C21 YH94004 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O LQ0209 [1,1,0,0,0,0|1,0,1]=4 120 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O XJ4589 [1,1,0,0,0,0|1,0,1]=4 121 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 YH53599 [1,1,0,0,0,0|1,0,0]=3 122 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O XJ4587 [1,1,0,0,0,0|1,0,1]=4 123 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O YH11302 [1,1,0,0,0,0|1,0,1]=4 124 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O LQ0705 [1,1,0,0,0,0|1,0,1]=4 125 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O LQ3084 [1,1,0,0,0,0|1,0,1]=4 126 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O LQ3101 [1,1,0,0,0,0|1,0,1]=4 127 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O YH54394 [1,1,0,0,0,0|1,0,1]=4 128 B13R2.9 CC1=CC=CC2=C1NC=C2C=O JZ2591 [1,1,0,0,0,0|1,0,1]=4 129 B13R2.581 C=CC1=CC=CC2=C1CC(=O)N2 RT8280 [1,1,0,0,0,0|1,0,1]=4 130 B13R2.581 CCC1=CC=CC2=C1CC(=O)N2 RT8051 [1,1,0,0,0,0|1,0,0]=3 131 B13R2.581 COC1=C2NC(=O)SC2=CC=C1 JZ1132 [1,1,0,0,0,0|1,0,0]=3 132 B13R2.5397 NC1=C2OC(=O)NC2=CC(Cl)=C1 RT4577 [1,1,0,0,0,0|2,0,0]=4 133 B15R2.20937 COC1=C2NC(=O)OC(=O)C2=CC=C1 YH56153 [0,1,0,0,0,1|1,0,1]=4 134 B15R2.59732 CC1=CC(C)=C2NC(=O)OC(=O)C2=C1 YH07659 [0,1,0,0,0,1|1,0,1]=4 135 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 XJ2660 [0,0,1,1,0,0|2,0,0]=4 136 B13R2.328 O=C1N=C(Cl)C2=C(C=CC=C2)N1 RT8775 [1,0,0,0,0,1|2,0,0]=4 137 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 YH90958 [1,0,0,0,0,1|1,0,1]=4 138 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [1,0,0,0,0,1|1,0,1]=4