0 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 LT2352 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 LQ2189 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 LT2429 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 LT5844 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 HL2755 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 YH47996 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.59 CN1N=C(Cl)C=C1C(=O)O YH66656 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.22 CC1=C(CN)SC(N)=N1 YH89675 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.22 CC1=CC(C)=C(C=O)N1 JZ1935 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.22 CC1=CC(C)=C(C=O)S1 LT0662 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC(=O)C1=CC=C(Br)S1 XJ2893 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.35 CC(=O)C1=CC=C(Cl)S1 LQ1289 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC1=CC=C(C(=O)Cl)S1 LT0712 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 CC1=CN=C(C(=O)O)S1 CJ2740 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 CC1=NC(C(=O)O)=CN1 RT14528 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.35 CC1=NC(C(=O)O)=CO1 RT14087 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.35 CC1=NC=C(C(=O)O)S1 YH59279 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 LQ1360 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 CC1=NNC(C(=O)O)=C1 YH14439 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 CC1=NOC(C(=O)O)=C1 LX2905 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 LL0509 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.35 O=C(O)C1=CC=C(Br)S1 JZ0392 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 O=C(O)C1=CC=C(Cl)S1 XJ4788 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.41 CC(=O)C1=C(C)C=CS1 JZ4814 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.41 CC(=O)C1=CC=CN1C JZ0998 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.41 CC1=C(C(=O)Cl)C=CO1 JZ2760 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.41 CC1=C(C(=O)Cl)SC=N1 YH06262 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.41 CC1=C(C(=O)O)N=CS1 YH65662 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [1,0,0,0,0,0|2,1,0]=4 36 B9R1.41 CC1=C(C(=O)O)OC=N1 RT15059 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.41 CC1=C(C(=O)O)SC=N1 JZ5396 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.41 CN1N=CC=C1C(=O)O YH37728 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.41 NC(=O)C1=C(N)N=CN1 LX3324 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.41 NC1=C(C(=O)O)SC=C1 YH06872 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.41 O=C(O)C1=C(F)C=CS1 YH54410 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.49 CCC1=NC(C)=CN1C(C)=O YH50434 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.225 CC1=NN(C)C(C(=O)CBr)=C1 LX2285 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 LT0618 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.225 COC(=O)C1=CC(O)=NN1C YH65836 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.53 CC(=O)N\C(C)=C/C(=O)O CJ2905 [0,0,1,0,0,0|1,1,1]=4 48 B9R0.53 CC(=O)N\C(C)=C\C(=O)O LX5186a [0,0,1,0,0,0|1,1,1]=4 49 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 LT2527 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 XJ0834 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.166 CC(=O)C1=CC=C(C)C=C1O YH14255 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.166 CC1=NC(F)=CC=C1C(=O)O LX2404 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 XJ0758 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F YH24829 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.167 CC(=O)C1=CC(C)=CC=C1O XJ1779 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 YH65612 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [2,0,0,0,0,0|0,0,0]=2 59 B8R1.1 CCC1=CN=C(N)S1 YH58784 [2,0,0,0,0,0|1,0,1]=4 60 B8R1.1 COC1=CN=C(C)S1 LT1946 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.1 NC1=NC=C(C=O)S1 HL0577 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.1 O=CC1=CN=C(Cl)S1 YH97918 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.11 C=CC1=C(C)N=CS1 JZ1141 [2,0,0,0,0,0|0,0,1]=3 64 B8R1.11 CC1=C(C=O)SC=N1 LT2846 [2,0,0,0,0,0|0,0,0]=2 65 B8R1.11 CC1=C(CO)SC=N1 YH43789 [2,0,0,0,0,0|0,0,2]=4 66 B8R1.11 O=CC1=C(Br)C=CS1 CJ3010 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.11 O=CC1=C(Cl)C=CS1 YH13244 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.18 CC1=C(Br)SC(Br)=N1 YH19108 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.18 CC1=C(Br)SC(N)=N1 YH53085 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.18 CC1=C(C)SC(N)=N1 YH47910 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.18 CC1=NC(C)=C(N)S1 RT12095 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.18 CC1=NN(C)C(=O)C1 HL2323 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.7 CC(=O)C1=CN=NS1 YH33246 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [2,0,0,0,0,0|1,0,1]=4 76 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.7 CC(=O)N1C=CN=C1 YH49188 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [2,0,0,0,0,0|1,0,0]=3 82 B10R0.44 COC(=O)\C=C(/C)NC(C)=O CJ2776 [0,1,1,0,0,0|0,1,1]=4 83 B10R0.44 COC(=O)\C=C(\C)NC(C)=O LX5183 [0,1,1,0,0,0|0,1,1]=4 84 B10R1.256 C(=O)C1=C(C)N(C)N=C1C JZ2114 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.256 CC1=NN(C)C(Cl)=C1C=O JZ5747 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.14 CC1=NOC(C(=O)CBr)=C1 YH22762 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.14 COC(=O)C1=CC=C(N)S1 YH35219 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.14 COC(=O)C1=CN=C(N)S1 LX2982 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.31 CCC1=CC=C(C(C)=O)O1 YH48755 [1,1,0,0,0,0|1,1,0]=4 90 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 LT0623 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.194 CC(=O)C1=CN=C(C)N1C YH22273 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.149 COC(=O)C1=C(Br)C=CS1 YH50318 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.149 COC(=O)C1=C(C)C=CO1 XJ3015 [1,1,0,0,0,0|1,1,0]=4 94 B10R1.149 COC(=O)C1=C(C)C=CS1 HL4684 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.149 COC(=O)C1=C(C)N=CS1 LT3018 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.149 COC(=O)C1=C(C)NC=C1 YH54008 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.149 COC(=O)C1=C(N)C=CS1 LT2439 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.149 COC(=O)C1=C(O)C=CS1 LQ2774 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.192 CC(=O)C1=C(C)NC=C1C LQ2186 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.1703 CC1=CC=C(C(=O)NN)C(C)=N1 RT2489 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.1703 COC(=O)C1=C(C)N=C(C)C=C1 RT9229 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 JZ1932 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.313 CCOC(=O)C1=C(C)C=C(N)S1 LT0697 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 LT5386 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.362 COC(=O)C1=C(C)C(Br)=C(Br)S1 YH66266 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.3443 COC(=O)C1=C(C)C(C)=NN1C SY0108 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.22 CC1=CC(C)=C(Br)C(C)=N1 LQ4358 [0,0,1,1,0,0|2,0,0]=4 108 B10R1.22 CC1=CC(C)=C(S)C(C)=C1 JZ4610 [0,0,1,1,0,0|2,0,0]=4 109 B10R1.61 CC(=O)C1=CC=CN=C1C YH39691 [0,0,1,1,0,0|1,0,1]=4 110 B10R1.61 CC(=O)C1=NC=CN=C1C XJ4743 [0,0,1,1,0,0|1,0,1]=4 111 B10R2.2 CC1=NC2=C(C=CS2)S1 HL4158 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,0,0,1,0,1|2,0,0]=4 113 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 LQ4410 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.202 NC1=NC2=C(S1)C(=O)CCC2 RT19721 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.202 NC1=NC2=C(S1)C(=O)CCC2 YH65715 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.202 O=C1NCCC2=C1SC(Br)=C2 YH98301 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.8 CC1=CC(C)=CC(C=O)=C1 HL2999 [1,0,0,0,0,1|2,0,0]=4 118 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 YH66446 [1,0,0,0,0,1|2,0,0]=4 119 B10R1.25 CC1=CC(C)=C(C=O)C=C1 JZ5009 [1,0,0,0,0,1|2,0,0]=4 120 B10R1.25 CCC1=NC=C(C)N=C1C LT2166 [1,0,0,0,0,1|1,0,1]=4 121 B10R1.25 CCC1=NC=C(C)N=C1C XJ5736 [1,0,0,0,0,1|1,0,1]=4 122 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [1,0,0,0,0,1|1,0,0]=3 123 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [1,0,0,0,0,1|2,0,0]=4 124 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [1,0,0,0,0,1|2,0,0]=4 125 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [1,0,0,0,0,1|2,0,0]=4 126 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [1,0,0,0,0,1|2,0,0]=4 127 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [1,0,0,0,0,1|2,0,0]=4