0 B9R1.35 CC(=O)C1=CC(C)=CS1 JZ4815 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)C1=CC(Cl)=CS1 XJ5172 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)C1=CC=C(Br)S1 XJ2893 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1=CC=C(C)O1 JZ1181 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1=CC=C(Cl)S1 LQ1289 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=CN(C)C=C1 JZ4275 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=CC(C(=O)Cl)=NO1 XJ5355 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 CC1=CC(C(=O)O)=NO1 HL2548 [0,0,0,0,0,0|1,1,0]=2 8 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 RT14132 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 CC1=CC=C(C(=O)Cl)S1 LT0712 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC1=CC=C(C(=O)O)S1 LQ2018 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC1=CN=C(C(=O)O)O1 YH02221 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC1=CN=C(C(=O)O)S1 CJ2740 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CC1=CNC(C(=O)O)=C1 YH42507 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 CC1=COC(C(=O)O)=N1 RT15003 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CC1=CSC(C(=O)O)=C1 XJ4050 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 CC1=CSC(C(=O)O)=N1 YH35093 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=NC(C(=O)O)=CN1 RT14528 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 CC1=NC(C(=O)O)=CO1 RT14087 [0,0,0,0,0,0|1,1,0]=2 19 B9R1.35 CC1=NC=C(C(=O)O)S1 YH59279 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 LQ1360 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 CC1=NNC(C(=O)O)=C1 YH14439 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 CC1=NOC(C(=O)O)=C1 LX2905 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 CC1NC(C(=O)O)CS1 RT15646 [0,0,0,0,0,0|1,0,3]=4 24 B9R1.35 CN1C=C(B(O)O)C=N1 RT16465 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 CN1C=C([N+](=O)[O-])C=N1 YH59240 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.35 CN1C=NC(C(=O)O)=C1 XJ5462 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 CN1C=NC(C(=O)O)=N1 YH19919 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 NC(=O)C1=CC([O-])=NO1 RT4110 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 NC1=NC(C(=O)O)=CS1 LT2287 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.35 NC1=NC(C(=O)O)=NN1 LT2544 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 NC1=NC(C(=O)O)CS1 RT3947 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.35 NC1=NC(C(=O)O)CS1 RT3949 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.35 NC1=NC(C(=O)O)CS1 RT4384 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.35 O=C(O)C1=CC(Br)=CS1 LQ3954 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 O=C(O)C1=CC(Br)=CS1 RT8377 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 O=C(O)C1=CC=C(Br)S1 JZ0392 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 O=C(O)C1=CC=C(Cl)S1 XJ4788 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.35 O=C(O)C1=COC(F)=N1 RT15298 [0,0,0,0,0,0|2,1,0]=3 39 B9R1.35 O=C(O)C1=CSC(Br)=N1 JZ0401 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.35 O=C(O)C1=NC(Br)=CO1 RT15489 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 O=C(O)C1=NNC(Br)=C1 YH32024 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 O=C([O-])C1=CC(O)=NS1 RT7884 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.35 O=C1C=C(C(=O)O)CC1 LX3058 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.1 CC1=CC(CO)=NO1 YH56334 [1,0,0,0,0,0|1,1,1]=4 45 B8R1.1 CC1=CC=C(C=O)S1 JZ4813 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 CC1=CSC(C=O)=C1 YH65858 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.1 CC1=CSC(C=O)=N1 YH33412 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 CC1=NC(C#N)=CS1 JZ5460 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.1 CC1=NC=C(C=O)S1 YH20366 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 CC1=NOC(CO)=C1 YH35431 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.1 CN1C=C(CO)C=N1 YH25019 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.1 NC1=NC=C(C=O)S1 HL0577 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 O=CC1=CC(Br)=CN1 RT4583 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 O=CC1=CC(Br)=CO1 JZ5461 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.1 O=CC1=CC(Br)=CS1 LQ4096 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.1 O=CC1=CC=C(Br)O1 RT15017 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.1 O=CC1=CC=C(I)O1 XJ2246 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.1 O=CC1=CN=C(Cl)S1 YH97918 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.1 O=CC1=CSC(Br)=N1 LQ2841 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 CC(=O)C1=CNC=C1 JZ4350 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 CC(=O)C1=CSC=C1 LT2539 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.7 CC(=O)N1C=CN=C1 YH49188 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 O=C(Cl)C1=CC=CO1 LQ0957 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.7 O=C(Cl)C1=CC=CS1 RT9297 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.7 O=C(Cl)C1=COC=C1 YH50424 [1,0,0,0,0,0|1,1,0]=3 68 B8R1.7 O=C(Cl)C1=CSC=C1 YH00609 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 O=C(Cl)N1C=CN=C1 YH16896 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.7 O=C(O)C1=CC=CN1 LQ1319 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 O=C(O)C1=CC=CO1 LQ4516 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 O=C(O)C1=CC=CO1 LT6552 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.7 O=C(O)C1=CC=NS1 YH21736 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 O=C(O)C1=CN=CN1 JZ4351 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.7 O=C(O)C1=CN=CS1 LQ3747 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.7 O=C(O)C1=CN=NN1 LT6005 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.7 O=C(O)C1=CNN=C1 RT14194 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.7 O=C(O)C1=COC=N1 LQ4340 [1,0,0,0,0,0|1,1,0]=3 79 B8R1.7 O=C(O)C1=COCC1 YH98627 [1,0,0,0,0,0|0,1,2]=4 80 B8R1.7 O=C(O)C1=CSC=C1 LT6654 [1,0,0,0,0,0|0,0,0]=1 81 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 O=C(O)C1=NNC=C1 XJ1870 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 O=C(O)C1=NOC=C1 JZ2260 [1,0,0,0,0,0|1,1,0]=3 84 B8R1.7 O=C(O)C1C=CC=C1 LT5432 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.7 O=C(O)[C@@H]1C=CCN1 LX2096 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.7 OB(O)C1=COC=C1 LT7692 [1,0,0,0,0,0|1,1,1]=4 87 B8R1.7 OB(O)C1=CSC=C1 XJ3045 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.14 CC1=CC(C(=O)CBr)=NO1 YH07354 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.14 CC1=NOC(C(=O)CBr)=C1 YH22762 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.14 COC(=O)C1=CC(=O)NN1 YH66536 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.14 COC(=O)C1=CC(O)=NO1 JZ3359 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.14 COC(=O)C1=CC=C(N)S1 YH35219 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.14 COC(=O)C1=CN(C)C=N1 YH39848 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.14 COC(=O)C1=CN=C(N)S1 LX2982 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.14 COC(=O)C1=CSC(Br)=N1 YH39369 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.14 COC(=O)C1=CSC(Cl)=N1 YH00700 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.14 COC(=O)C1=CSC(N)=N1 RT15694 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.31 CCC1=CC=C(C(C)=O)O1 YH48755 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.31 COC1=CN=C(C(=O)O)O1 RT15406 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.31 COC1=CSC(C(=O)Cl)=C1 LX3261 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.31 O=CC1=CC=C(C(=O)O)S1 LX2585 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.55 CC1=NC=C(S(=O)(=O)O)N1 RT10374 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 LT0623 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 LQ3077 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 LT0658 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 LT2352 [0,1,0,0,0,0|1,1,0]=3 107 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 LQ2189 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 LT2429 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 LT5844 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.59 CC1=CC(B(O)O)=C(C)S1 CJ3439 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 HL2755 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 YH47996 [0,1,0,0,0,0|1,1,0]=3 113 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 YH88993 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.59 CN1N=C(Cl)C=C1C(=O)O YH66656 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 LQ4910 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.59 O=S([O-])C1=C(Cl)SC(Cl)=C1 LT0541 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.194 CC(=O)C1=CN=C(C)N1C YH22273 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.194 CC1=CSC(C(N)=O)=C1N LT0614 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.9 CNC(=O)\C=C/C(=O)O JZ3047 [0,0,1,0,0,0|2,0,1]=4 120 B8R0.9 COC(=O)\C=C/C(=O)O HL2437 [0,0,1,0,0,0|1,1,1]=4 121 B8R0.23 C(C(=O)O)=C(/C)C(=O)O XJ0826 [0,0,1,0,0,0|1,1,1]=4 122 B8R0.23 C=C(CC(=O)O)C(=O)O LT3976 [0,0,1,0,0,0|1,1,1]=4 123 B8R0.23 C=C(CN(C)C)C(=O)O RT17687 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.23 C\C(=C/C(=O)O)C(=O)O XJ0827 [0,0,1,0,0,0|1,1,1]=4 125 B8R0.28 CC(=O)SCCC(=O)O RT16513 [0,0,1,0,0,0|1,0,2]=4 126 B8R0.28 CC(C)C\C=C\C(=O)O RT1138 [0,0,1,0,0,0|1,0,2]=4 127 B8R0.28 CN(C)C\C=C\C(=O)O RT4916 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.28 O=C(O)\C=C\CC(=O)O RT17597 [0,0,1,0,0,0|3,0,0]=4 129 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HL1303 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.13 CC(=O)C1=CC=C(C)N=C1 RT18075 [0,0,0,0,0,1|2,0,0]=3 131 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 JZ1119 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 YH07034 [0,0,0,0,0,1|3,0,0]=4 133 B10R1.13 CC(=O)C1=CC=C(F)C=C1 JZ1124 [0,0,0,0,0,1|3,0,0]=4 134 B10R1.13 CC(=O)C1=CC=C(N)C=C1 LT6854 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.13 CC(=O)C1=CC=C(O)C=C1 RT11987 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HL3496 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CJ2729 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY0255 [0,0,0,0,0,1|2,0,1]=4 139 B10R1.13 CC1=CC=C(B(O)O)C=N1 RT6584 [0,0,0,0,0,1|2,0,1]=4 140 B10R1.13 CC1=CC=C(C(=O)O)C=C1 JZ0130 [0,0,0,0,0,1|1,0,0]=2 141 B10R1.13 CC1=CC=C(C(=O)O)C=N1 JZ2268 [0,0,0,0,0,1|1,0,0]=2 142 B10R1.13 CC1=CC=C(C(C)O)C=C1 LL0968 [0,0,0,0,0,1|2,0,1]=4 143 B10R1.13 CC1=CC=C(C(C)O)C=N1 RT2394 [0,0,0,0,0,1|2,0,1]=4 144 B10R1.13 CC1=CC=C(C(N)=O)C=C1 JZ3937 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.13 CC1=CC=C(S(=O)O)C=C1 LL0969 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.13 CC1=CC=C(S(N)=O)C=C1 YH66632 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.13 CC1=CN=C(B(O)O)C=C1 YH57645 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.13 CC1=CN=C(C(=O)O)C=C1 YH01820 [0,0,0,0,0,1|1,0,0]=2 149 B10R1.13 CC1=NC=C(C(=O)O)C=N1 YH04926 [0,0,0,0,0,1|1,0,0]=2 150 B10R1.13 CC1=NC=C(C(=O)O)N=C1 LT1326 [0,0,0,0,0,1|1,0,0]=2 151 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 JZ1051 [0,0,0,0,0,1|2,0,1]=4 152 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 LQ1385 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 JZ3938 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.13 NC(=O)C1=CC=C(F)C=C1 JZ4190 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.13 NC(=O)C1=CC=C(I)C=C1 YH59026 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.13 NC(=O)C1=CC=C(O)C=C1 JZ3939 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.13 NC(=O)C1=NC=C(N)C=C1 YH35056 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.13 NC1=CC=C(C(=O)O)C=C1 RT3381 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.13 NC1=CC=C(C(=O)O)C=N1 LT3585 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 LT3105 [0,0,0,0,0,1|2,0,1]=4 161 B10R1.13 NC1=CN=C(C(=O)O)C=C1 JZ1163 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 XJ0449 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 JZ0749 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 JZ1126 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 JZ4692 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 XJ1044 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 JZ0785 [0,0,0,0,0,1|2,0,0]=3 168 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 JZ1200 [0,0,0,0,0,1|2,0,0]=3 169 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 JZ0383 [0,0,0,0,0,1|2,0,0]=3 170 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 LT3592 [0,0,0,0,0,1|2,0,0]=3 171 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 HL2902 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.13 O=C(O)C1=CC=C(F)C=C1 JZ1125 [0,0,0,0,0,1|2,0,0]=3 173 B10R1.13 O=C(O)C1=CC=C(I)C=C1 JZ3940 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.13 O=C(O)C1=CC=C(O)C=C1 JZ0015 [0,0,0,0,0,1|2,0,0]=3 175 B10R1.13 O=C(O)C1=CC=C(O)C=N1 XJ4141 [0,0,0,0,0,1|2,0,0]=3 176 B10R1.13 O=C(O)C1=CC=C(O)N=C1 RT9389 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CJ2890 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 XJ5265 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 LL1597 [0,0,0,0,0,1|2,0,0]=3 180 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 LX2929 [0,0,0,0,0,1|2,0,0]=3 181 B10R1.13 O=C(O)C1=NC=C(F)C=C1 YH23879 [0,0,0,0,0,1|2,0,0]=3 182 B10R1.13 O=C(O)C1=NC=C(O)N=C1 LX2658 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HL1435 [0,0,0,0,0,1|2,0,1]=4 184 B10R1.13 O=C1C=NC(C(=O)[O-])=CN1 YH18171 [0,0,0,0,0,1|2,0,1]=4 185 B10R1.54 NC1=NC(CC(=O)O)=CS1 LT1645 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.54 O=C(O)CC1=CSC(Br)=N1 SY0053 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.113 C=C(C)C1=CC(C)=CC=C1 HL0676 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 LX2618 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 RT15363 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.113 CC(=O)C1=CC(F)=CC=C1 LT6788 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.113 CC(=O)C1=CC(N)=CC=C1 LT6621 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 LQ2084 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.113 CC(=O)C1=CC=CC(O)=C1 LT6622 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CJ2939 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.113 CC1=CC(B(O)O)=CC=N1 YH65557 [0,0,0,0,0,1|2,0,1]=4 196 B10R1.113 CC1=CC(B(O)O)=CN=C1 HL3668 [0,0,0,0,0,1|2,0,1]=4 197 B10R1.113 CC1=CC(C(N)=O)=CC=C1 LQ1217 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.113 CC1=CC(C(N)=S)=CC=N1 RT8267 [0,0,0,0,0,1|2,1,0]=4 199 B10R1.113 CC1=CC=CC(B(O)O)=C1 LT6827 [0,0,0,0,0,1|2,0,1]=4 200 B10R1.113 CC1=CC=CC(C(=O)O)=C1 XJ0266 [0,0,0,0,0,1|1,0,0]=2 201 B10R1.113 CC1=CC=CC(C(=O)O)=N1 JZ4291 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.113 CC1=CN=CC(C(=O)O)=C1 LT6022 [0,0,0,0,0,1|1,0,0]=2 203 B10R1.113 CC1=NC(C(=O)O)=CC=N1 JZ4788 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.113 CC1=NC=CC(N(=O)=O)=C1 LQ3643 [0,0,0,0,0,1|2,0,1]=4 205 B10R1.113 CN1C=CCC(C(N)=O)=C1 RT11880 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.113 CN1CCC=C(C(=O)O)C1 JZ2810 [0,0,0,0,0,1|2,0,1]=4 207 B10R1.113 CN1CCC=C(C(=O)O)C1 RT16625 [0,0,0,0,0,1|2,0,1]=4 208 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 YH65966 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 XJ3010 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 RT4413 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 LQ4630 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.113 NC(=O)C1=CC(F)=CC=C1 HL1806 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 LQ1218 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 XJ6709 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.113 NC1=CC(C(=O)O)=CN=C1 YH48838 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.113 NC1=CC(C(=O)O)=NC=C1 RT5964 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.113 NC1=CC=CC(C(=O)O)=N1 JZ5606 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 NC1=NC=CC(C(=O)O)=C1 YH32218 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 JZ4695 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 LQ1216 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 LT3937 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 YH50522 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 LT3027 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.113 O=C(Cl)C1=CC(I)=CC=C1 JZ4696 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 JZ0792 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 LT3007 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 LT6515 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.113 O=C(O)C1=CC(F)=CC=C1 JZ1086 [0,0,0,0,0,1|2,0,0]=3 229 B10R1.113 O=C(O)C1=CC(F)=CN=C1 LQ0786 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.113 O=C(O)C1=CC(I)=CC=C1 LQ1220 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.113 O=C(O)C1=CC(O)=CC=C1 RT13217 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.113 O=C(O)C1=CC(S)=NC=C1 YH42361 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 LT2935 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 JZ4304 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 LQ2733 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.113 O=C(O)C1=CC=CC(F)=N1 LQ0787 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 LT3524 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.113 O=C(O)C1=CN=CC(O)=C1 JZ0794 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=N1 RT9260 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 JZ0754 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 YH48486 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 YH35927 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.113 O=C(O)C1=NC(O)=CC=C1 JZ0755 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 LX2083 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 LQ2927 [0,0,0,0,0,1|2,0,0]=3 246 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 YH57583 [0,0,0,0,0,1|2,0,0]=3 247 B10R1.113 O=C(O)C1=NC=NC(O)=C1 SY0110 [0,0,0,0,0,1|2,0,0]=3 248 B7R0.4 CCC\C=C\C(=O)O JZ4447 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.4 COC\C=C\C(=O)O RT17693 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.4 C\C=C\C=C\C(=O)[O-] LQ4414 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.5 CC\C=C(/C)C(=O)O LT5109 [1,0,1,0,0,0|0,0,2]=4 252 B7R0.6 CC(=O)\C=C\C(=O)O JZ2572 [1,0,1,0,0,0|0,1,0]=3 253 B7R0.6 CC(=O)\C=C\C(=O)O YH65778 [1,0,1,0,0,0|0,1,0]=3 254 B7R0.6 NC(=O)\C=C/C(=O)O LQ1029 [1,0,1,0,0,0|1,1,0]=4 255 B7R0.6 O=C([O-])\C=C\C(=O)O LQ3341 [1,0,1,0,0,0|1,1,0]=4 256 B7R0.6 OC(=O)\C=C\C(=O)O JZ1539 [1,0,1,0,0,0|1,1,0]=4 257 B7R1.1 C#CC1=CSC=C1 HL4323 [2,0,0,0,0,0|1,0,1]=4 258 B7R1.1 NCC1=CSC=C1 YH51468 [2,0,0,0,0,0|1,0,1]=4 259 B7R1.1 O=CC1=CC=CN1 HL3957 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.1 O=CC1=CC=CN1 RT5965 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.1 O=CC1=CC=CS1 LT6658 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.1 O=CC1=CC=NN1 YH58836 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.1 O=CC1=CC=NS1 YH05211 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.1 O=CC1=CNC=N1 LX3143 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.1 O=CC1=CSC=C1 LT0654 [2,0,0,0,0,0|0,0,0]=2 266 B7R1.1 O=CC1=NOC=C1 YH93674 [2,0,0,0,0,0|1,1,0]=4 267 B7R1.1 O=CN1C=CN=C1 JZ2254 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.1 OCC1=CNC=C1 RT14164 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.1 OCC1=CSC=C1 LT2643 [2,0,0,0,0,0|0,0,1]=3 270 B7R1.2 BrC1=CSC(Br)=C1 LQ2406 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.2 CC1=CC(=O)CC1 HL2331 [2,0,0,0,0,0|1,0,1]=4 272 B7R1.2 CC1=CNC(C)=C1 XJ1200 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.2 CC1=CSC(C)=N1 JZ0982 [2,0,0,0,0,0|1,0,1]=4 274 B9R0.53 CC(=O)N\C(C)=C/C(=O)O CJ2905 [0,1,1,0,0,0|2,0,0]=4 275 B9R0.53 CC(=O)N\C(C)=C\C(=O)O LX5186a [0,1,1,0,0,0|2,0,0]=4 276 B9R1.21 CSC1=CC=C(C=O)S1 YH49028 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.21 O=CC1=CC=C(CO)O1 JZ1173 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.22 CC1=CC(C#N)=C(N)S1 LT0574 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.22 CC1=CC(C#N)=C(N)S1 LT5721 [1,1,0,0,0,0|1,0,1]=4 280 B9R1.22 CC1=CC(C)=C(C=O)N1 JZ1935 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.22 CC1=CC(C)=C(C=O)S1 LT0662 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.41 CC1=C(C(=O)Cl)C=CO1 JZ2760 [1,1,0,0,0,0|1,1,0]=4 287 B9R1.41 CC1=C(C(=O)O)C=CO1 JZ3070 [1,1,0,0,0,0|0,1,0]=3 288 B9R1.41 CC1=C(C(=O)O)C=NO1 LQ5080 [1,1,0,0,0,0|1,1,0]=4 289 B9R1.41 CC1=C(C(=O)O)N=CO1 YH22337 [1,1,0,0,0,0|1,1,0]=4 290 B9R1.41 CC1=C(C(=O)O)N=CS1 YH65662 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.41 CC1=C(C(=O)O)NC=C1 YH94680 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.41 CC1=C(C(=O)O)OC=C1 JZ2549 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.41 CC1=C(C(=O)O)OC=N1 RT15059 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.41 CC1=C(C(=O)O)ON=C1 YH50311 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.41 CC1=C(C(=O)O)SC=C1 LT2617 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.41 CC1=C(C(=O)O)SC=N1 JZ5396 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.41 CC1=CNC=C1C(=O)O RT10098 [1,1,0,0,0,0|1,0,0]=3 298 B9R1.41 CC1=CON=C1C(=O)O YH46481 [1,1,0,0,0,0|1,1,0]=4 299 B9R1.41 CC1=CSC=C1B(O)O YH40907 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.41 CN1C=NC=C1C(=O)O XJ5475 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.41 CN1N=CC=C1C(=O)O YH37728 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.41 NC(=O)C1=C(N)SC=N1 YH66366 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.41 NC1=C(C(=O)O)C=NN1 LT6718 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.41 NC1=C(C(=O)O)SC=C1 YH06872 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.41 NC1=C(C(=O)[O-])C=CS1 LT0567 [1,1,0,0,0,0|0,0,1]=3 306 B9R1.41 NC1=NNC=C1C(=O)O YH00680 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.41 O=C(O)C1=C(F)C=CS1 YH54410 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.41 O=C(O)C1=C(F)SC=C1 CJ3042 [1,1,0,0,0,0|0,0,0]=2 309 B9R1.41 O=C(O)C1=NOC=C1O RT18938 [1,1,0,0,0,0|1,1,0]=4 310 B9R1.41 OB(O)C1=C(Cl)SC=C1 LX2474 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 YH23236 [0,1,0,0,0,1|1,0,1]=4 312 B11R1.3 C(=O)C1=CC=C(C(=O)O)C=C1 JZ3943 [0,1,0,0,0,1|1,0,1]=4 313 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 JZ4383 [0,1,0,0,0,1|1,0,1]=4 314 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 LT3069 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 JZ3941 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 LQ3466 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 JZ0666 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.3 COC1=CC=C(C(=O)O)C=C1 JZ4549 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.3 COC1=CC=C(C(=O)O)N=C1 RT6533 [0,1,0,0,0,1|1,0,0]=3 320 B11R1.3 COC1=CC=C(C(C)=O)C=C1 JZ1135 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.3 COC1=CC=C(C(N)=O)C=C1 HL2560 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.3 COC1=NC=C(C(=O)O)C=C1 JZ0752 [0,1,0,0,0,1|1,0,0]=3 323 B11R1.3 COC1=NC=C(C(=O)O)N=C1 YH59418 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 LT3084 [0,1,0,0,0,1|1,0,0]=3 325 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 XJ1918 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 JZ3942 [0,1,0,0,0,1|1,0,1]=4 327 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 LL1227 [0,1,0,0,0,1|1,0,1]=4 328 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 LQ0055 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CJ2943 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 JZ0800 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 LL2125 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 HL0470 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 RT10589 [0,1,0,0,0,1|1,0,0]=3 334 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HL4991 [0,1,0,0,0,1|1,0,0]=3 335 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 XJ2357 [0,1,0,0,0,1|1,0,0]=3 336 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 HL2904 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 LL0357 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 RT4375 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 RT8618 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 XJ3061 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 YH22643 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.19 CC1=NC=C(S(=O)(=O)O)C=C1 YH03032 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 LL0209 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 LQ3334 [0,1,0,0,0,1|1,0,0]=3 345 B11R1.21 CC1=C(Br)C=NC(C(=O)O)=C1 YH92885 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 LQ1233 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 YH66048 [0,1,0,0,0,1|1,0,0]=3 348 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 LT6782 [0,1,0,0,0,1|1,0,0]=3 349 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 LQ0789 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 LL1505 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 XJ2209 [0,1,0,0,0,1|1,0,0]=3 352 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 LT2618 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 LT2606 [0,1,0,0,0,1|1,0,0]=3 354 B11R1.21 CC1=CC(C(=O)O)=CN=C1F LT3944 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.21 CC1=CC=C(C(=O)Cl)C=C1I YH65834 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.21 CC1=CC=C(C(=O)O)C=C1Cl LQ2823 [0,1,0,0,0,1|1,0,0]=3 357 B11R1.21 CC1=CC=C(C(N)=O)C=C1N LT3129 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] LT4062 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.21 CC1=[N+](C)C=C(C(N)=O)C=C1 RT9402 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 LT2770 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 LQ1234 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 LQ2164 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 JZ0161 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br YH11091 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl YH49312 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.21 NC1=CC=C(C(=O)O)C=C1F RT1599 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br RT2374 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 RT15411 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 XJ5456 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 HL1019 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 XJ5455 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 LQ0791 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 LQ5082 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 YH55532 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=C1 LQ5083 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 LT6724 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 LQ0790 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 LQ5176 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 LQ0734 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 LT6644 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 YH65444 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 HL2147 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 JZ0748 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.22 COC(=O)C1=CC=C(F)N=C1 XJ1741 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.22 COC(=O)C1=CC=C(N)N=C1 JZ1658 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.22 COC(=O)C1=CC=C(O)C=N1 SY0217 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 LX3189 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 XJ4983 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 LT5905 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.22 COC(=O)C1=NC=C(O)N=C1 LT5907 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.166 CC(=O)C1=CC=C(C)C=C1O YH14255 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 LX3005 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 LQ3335 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 LX2050 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O YH17041 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 YH13201 [0,1,0,0,0,1|1,0,0]=3 406 B11R1.166 CC1=CC(O)=C(C(N)=O)C=C1 LT2462 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 YH18052 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 HL2212 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 LT0244 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.166 CC1=NC(F)=CC=C1C(=O)O LX2404 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 YH45406 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 LT0240 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 RT1598 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 XJ2208 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 XJ0046 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.166 NC1=CC=C(C(=O)O)C(F)=C1 LX3182 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 XJ1113 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 HL0593 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 RT11949 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 HL1032 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 YH07341 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 RT12288 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 XJ0764 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.166 O=C(O)C1=C(F)C=C(F)N=C1 YH89414 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 LT2788 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 LQ0700 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.166 O=C(O)C1=C(O)N=C(O)N=C1 RT18056 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O HL0984 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl LQ4961 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl LT6491 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br YH51932 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.166 O=C(O)C1=CC=C(I)C=C1F LL2023 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl RT11083 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.166 O=C(O)C1=CC=C(S)C=C1Br RT13176 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl HL4459 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl YH27314 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl YH19973 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.314 NC1=NC(C(=O)C(=O)O)=CS1 SY0014 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.23 COC(=O)C1=CC(=O)NC=N1 YH16507 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 LQ5409 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.23 COC(=O)C1=CC(F)=NC=C1 HL1809 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.23 COC(=O)C1=CC(N)=CN=C1 YH56942 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.23 COC(=O)C1=CC(O)=CC=C1 XJ4508 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.23 COC(=O)C1=CC=CC(N)=C1 HL2757 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.23 COC(=O)C1=CC=NC(N)=C1 RT4204 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12209 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12213 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.23 COC(=O)C1=NC=CC(N)=C1 YH15318 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 LX2350 [0,1,0,0,0,1|1,0,0]=3 453 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 LT2527 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 XJ0834 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 YH08537 [0,1,0,0,0,1|1,0,0]=3 456 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 LT5960 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 LT5229 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 LT2922 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 YH01277 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 CJ2289 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 HL3778 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 YH52145 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 HL2924 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.74 O=C(O)C1=CC(F)=CC(Cl)=C1 LQ4478 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 HL1807 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 YH93372 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 JZ5291 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 CJ3026 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 LT6675 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 XJ0270 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 LX2156 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.74 O=C(O)C1=NC(Cl)=NC(Cl)=C1 YH38536 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 LT7276 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 XJ5872 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.159 CC(=O)C1=CC=CC(C)=C1N YH05913 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.159 CC(=O)C1=CC=CC(C)=C1O YH14631 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br RT11196 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.159 CC1=C(C(=O)O)C=CC=C1F YH14630 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.159 CC1=C(C(=O)O)C=CC=C1N LT2464 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.159 CC1=C(C(=O)O)C=CC=C1O JZ3890 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 LT5949 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 LX3202 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 JZ0027 [0,1,0,0,0,1|1,0,0]=3 484 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C JZ5449 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br SY0004 [0,1,0,0,0,1|1,0,0]=3 486 B11R1.159 CC1=CC=CC(C(=O)O)=C1F YH53947 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br LX2293 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.159 NC1=C(C(=O)O)C=CC=C1F YH88243 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.159 NC1=C(O)C=CC=C1C(=O)O HL1999 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.159 NC1=CC=CC(C(=O)O)=C1F LX3096 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.159 NC1=CC=CC(C(=O)O)=C1N JZ3891 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 YH31972 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 HL1046 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 YH65894 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CJ3147 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 LL2342 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 YH58619 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 LQ0677 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 LT0082 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl YH07680 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1Br YH07679 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.159 O=C(O)C1=CC=CC(F)=C1Cl HL3142 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.159 O=C(O)C1=CC=CC(F)=C1F YH02098 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.159 O=C(O)C1=CC=CC(F)=C1I LX2296 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl YH98254 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 XJ0758 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.167 CC(=O)C1=CC(C)=CC=C1O XJ1779 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 LX2060 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 XJ5704 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 LQ2276 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CJ2738 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 XJ3183 [0,1,0,0,0,1|1,0,0]=3 513 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 XJ0662 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 YH05261 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=C1 LQ3105 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.167 CC1=CC=C(N)C(C(N)=O)=C1 YH00062 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.167 CC1=CC=C(N)C=C1C(=O)O LT5979 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 YH65612 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.167 N=C1C=CC(=O)C(C(=O)O)=C1 RT11743 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.167 NC1=C(C(=O)O)C=C(Cl)N=C1 LX3311 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 LT0252 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 HL1758 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O LT0246 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 RT11771 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O JZ1003 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.167 NC1=NC=C(Cl)C=C1C(=O)O YH05416 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 YH09854 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 LQ4295 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 HL1755 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 JZ5666 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 LQ4294 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 HL1034 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 LX2708 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 YH35267 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 LQ5175 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 LQ4296 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 XJ3893 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 LQ0504 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 LT0154 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O YH22672 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl YH09173 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl LQ4919 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.167 O=C(O)C1=CC(F)=CN=C1F YH89730 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.167 O=C(O)C1=CC(F)=CN=C1O YH92224 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl YH43007 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.167 O=C(O)C1=CC(I)=CC=C1I YH34226 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.266 C(=O)C1=CC(C(=O)O)=CC=C1 LQ1237 [0,1,0,0,0,1|1,0,1]=4 548 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 YH00769 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 RT7849 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.266 CCC1=CC(C(N)=O)=CC=N1 RT3109 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.266 COC1=CC(C(=O)O)=CC=C1 LT2613 [0,1,0,0,0,1|1,0,0]=3 552 B11R1.266 COC1=CC(C(=O)O)=NC=C1 YH52275 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.266 COC1=CC=CC(C(C)=O)=C1 YH08564 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.266 COC1=NC=CC(C(=O)O)=C1 XJ6812 [0,1,0,0,0,1|1,0,0]=3 555 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 JZ4197 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 LQ1949 [0,1,0,0,0,1|1,0,1]=4 557 B11R1.266 N#CC1=CN=CC(C(=O)O)=C1 YH93163 [0,1,0,0,0,1|1,0,1]=4 558 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 JZ1981 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 LT2487 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 XJ3151 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.266 O=C(O)C1=CC=CC(CCl)=C1 LT2902 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 YH51784 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.266 O=C(O)C1=CC=CC(CO)=N1 JZ4492 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.15 CCOC(=O)C1=CNC(C)=N1 YH91397 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 YH39378 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.15 CCOC(=O)C1=CSC(N)=N1 HL2923 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.44 COC(=O)C1=CC=C(CCl)O1 YH46297 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.44 COC(=O)C1=CSC(C=O)=C1 LT5533 [0,2,0,0,0,0|0,0,1]=3 569 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 LT0618 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 YH06593 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 JZ0443 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 LT0675 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.124 CCCC1=NC(C(=O)O)=CO1 RT15396 [0,2,0,0,0,0|1,1,0]=4 574 B11R1.124 CCOC1=NC(C(=O)O)=CO1 RT14072 [0,2,0,0,0,0|1,1,0]=4 575 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [0,0,1,1,0,0|1,0,1]=4 576 B9R1.6 O=C(O)C1=CN=CN=C1 JZ0399 [0,0,1,1,0,0|2,0,0]=4 577 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [0,0,1,1,0,0|1,0,1]=4 578 B11R2.139 CC1=CC2=C(C1)SC(C)=C2 YH65977 [0,0,0,1,0,1|2,0,0]=4 579 B9R1.2 C=CC1=CC=CC(C)=C1 LQ4468 [1,0,0,0,0,1|2,0,0]=4 580 B9R1.2 CC1=CC(C=O)=CC=C1 JZ3952 [1,0,0,0,0,1|1,0,0]=3 581 B9R1.2 CC1=CC(CO)=NC=C1 YH01119 [1,0,0,0,0,1|1,0,1]=4 582 B9R1.2 CC1=CC=CC(C=O)=N1 HL0653 [1,0,0,0,0,1|2,0,0]=4 583 B9R1.2 CC1=NC(C=O)=CC=N1 HL0584 [1,0,0,0,0,1|2,0,0]=4 584 B9R1.2 O=CC1=CC(Br)=CN=C1 LT3730 [1,0,0,0,0,1|2,0,0]=4 585 B9R1.2 O=CC1=CC(Br)=NC=C1 LL1981 [1,0,0,0,0,1|2,0,0]=4 586 B9R1.2 O=CC1=CC(Cl)=CC=C1 XJ1050 [1,0,0,0,0,1|2,0,0]=4 587 B9R1.2 O=CC1=CC(F)=CC=C1 LT6791 [1,0,0,0,0,1|2,0,0]=4 588 B9R1.2 O=CC1=CC(F)=CN=C1 YH65531 [1,0,0,0,0,1|2,0,0]=4 589 B9R1.2 O=CC1=CC(O)=NC=C1 YH65488 [1,0,0,0,0,1|2,0,0]=4 590 B9R1.2 O=CC1=CC=CC(Br)=C1 LQ2404 [1,0,0,0,0,1|2,0,0]=4 591 B9R1.2 O=CC1=CC=CC(O)=C1 JZ0346 [1,0,0,0,0,1|2,0,0]=4 592 B9R1.2 O=CC1=CC=NC(Cl)=C1 LX3013 [1,0,0,0,0,1|2,0,0]=4 593 B9R1.2 O=CC1=CC=NC(F)=C1 HL3440 [1,0,0,0,0,1|2,0,0]=4 594 B9R1.13 O=C(O)CC1=CC=CS1 LT6659 [1,0,0,0,0,1|2,0,0]=4 595 B9R1.13 O=C(O)CC1=CNC=C1 YH90782 [1,0,0,0,0,1|1,0,0]=3 596 B9R1.13 O=C(O)CC1=CNC=N1 LX2171 [1,0,0,0,0,1|2,0,0]=4 597 B9R1.13 O=C(O)CC1=CSC=C1 LT3139 [1,0,0,0,0,1|0,0,0]=2 598 B9R1.13 O=C(O)CC1=CSC=C1 XJ3177 [1,0,0,0,0,1|0,0,0]=2 599 B9R1.13 O=C(O)CN1C=CN=C1 LX2150 [1,0,0,0,0,1|2,0,0]=4 600 B9R1.13 O=C(O)CN1C=CN=C1 YH91367 [1,0,0,0,0,1|2,0,0]=4 601 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 XJ0551 [0,0,0,0,0,2|2,0,0]=4 602 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JZ4004 [0,0,0,0,0,2|2,0,0]=4 603 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 LT3063 [0,0,0,0,0,2|2,0,0]=4 604 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 LQ1955 [0,0,0,0,0,2|2,0,0]=4 605 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 LT3076 [0,0,0,0,0,2|2,0,0]=4 606 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 RT12785 [0,0,0,0,0,2|2,0,0]=4 607 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 YH59203 [0,0,0,0,0,2|2,0,0]=4 608 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [0,0,0,0,0,2|2,0,0]=4 609 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 LL0985 [0,0,0,0,0,2|2,0,0]=4 610 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 JZ3970 [0,0,0,0,0,2|1,0,0]=3 611 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 RT1647 [0,0,0,0,0,2|2,0,0]=4 612 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 XJ4094 [0,0,0,0,0,2|2,0,0]=4 613 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 HL4831 [0,0,0,0,0,2|2,0,0]=4 614 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 YH59202 [0,0,0,0,0,2|2,0,0]=4 615 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 LT3102 [0,0,0,0,0,2|2,0,0]=4 616 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 LQ1956 [0,0,0,0,0,2|2,0,0]=4 617 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 LQ1954 [0,0,0,0,0,2|2,0,0]=4 618 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 LT6766 [0,0,0,0,0,2|2,0,0]=4 619 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 LT3028 [0,0,0,0,0,2|2,0,0]=4 620 B11R1.157 O=C(O)CC1=CC=CC(S)=C1 RT19096 [0,0,0,0,0,2|2,0,0]=4