0 B13R1.464 CCOC(=O)C1=CC=CC=C1CCl YH36514 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.464 CCOC(=O)C1=NC=CC=C1C#N YH98529 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 LX2827 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.77 COC(=O)C1=CC=CC=C1C=O XJ2640 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.77 COC(=O)C1=CC=CC=C1CBr JZ2022 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.77 COC(=O)C1=NC=CC=C1C=O LL2134 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.77 COC1=CC=CC=C1C(=O)CBr LT0285 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.77 COC1=CC=CC=C1C(=O)NN XJ3327 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [1,0,0,0,0,0|0,0,0]=1 9 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 YH08753 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.308 CCOC(=O)C1=C(Cl)N=CN=C1 YH65810 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 RT2194 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 JZ4908 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.308 CCOC(=O)C1=CN=CN=C1O JZ2600 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [1,0,0,0,0,0|3,0,0]=4 19 B14R1.623 CCOC(=O)C1=CC=CC=C1C(=O)O RT11586 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] XJ1099 [0,1,0,0,0,0|1,0,1]=3 21 B11R0.4 C=C\C=C\C=C\CC(=O)OCC RT17411 [1,0,1,0,0,0|0,0,2]=4 22 B11R1.41 CCOC1=C(OC)C=CC=C1 YH65716 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.41 CCOC1=CC=CC=C1CO XJ6252 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 YH55244 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.53 CNC1=CC=CC=C1C(=O)O LQ0517 [2,0,0,0,0,0|0,0,0]=2 26 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] HL0141 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.53 CNC1=NC=CC=C1C(=O)O XJ5069 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.53 COC1=C(C(=O)O)C=CC=C1 XJ0973 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.53 COC1=C(C(=O)O)C=CN=C1 YH12258 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.53 COC1=CC=CC=C1C(N)=O LT1774 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.53 COC1=NC=CC=C1C(=O)O JZ0743 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.53 NNC1=CC=CC=C1C(=O)O JZ0801 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.53 O=C(O)C1=CC=CC=C1CBr HL4661 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.53 O=C(O)C1=CC=CC=C1CBr YH15164 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.53 O=C(O)C1=CC=CC=C1CCl HL4793 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 YH05902 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [2,0,0,0,0,0|0,0,0]=2 40 B11R1.222 COC(=O)C1=C(I)C=CC=C1 LT1761 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.222 COC(=O)C1=C(I)C=NC=C1 YH42716 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HL4261 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.222 COC(=O)C1=C(N)N=CC=N1 LT5963 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.222 COC(=O)C1=C(O)C=CN=C1 YH13199 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.222 COC(=O)C1=CC=CC=C1O JZ3307 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.222 COC(=O)C1=CC=CN=C1C XJ6093 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.222 COC(=O)C1=CC=CN=C1F XJ0762 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.222 COC(=O)C1=CC=CN=C1N LQ3812 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.222 COC(=O)C1=CN=CN=C1C HL3598 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)C1=NC=CC=C1C YH09125 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.222 COC(=O)C1=NC=CC=C1O XJ5981 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.222 [2H]OC(=O)C1=CC=CC=C1Cl RT12698 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [2,0,0,0,0,0|0,0,0]=2 60 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [2,0,0,0,0,0|0,0,0]=2 61 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [2,0,0,0,0,0|0,0,2]=4 64 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [2,0,0,0,0,0|2,0,0]=4 69 B13R1.382 CCOC1=CC=CC=C1C(=O)OC XJ2557 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 LT1719 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.382 COC(=O)C1=CC=CC=C1N=C=O XJ1940 [1,1,0,0,0,0|0,0,2]=4 72 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 CJ2411 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.2065 COC(=O)C1=CC=C(Br)C=C1C#N CJ3306 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.2065 COC(=O)C1=CC=C(N)C=C1OC YH51352 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.2065 COC(=O)C1=CC=C(O)C=C1OC YH65166 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.2209 COC(=O)C1=C(SC)C=CC(Br)=C1 YH96243 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.2209 COC(=O)C1=CC(Cl)=CC=C1OC LT5190 [1,1,0,0,0,0|1,0,0]=3 78 B13R1.201 CC(C)CC(=O)C1=CC=CC=C1Br CJ2837 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O JZ3931 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.446 CCOC(=O)C1=CC(Cl)=CC=C1O RT11873 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1Cl LL2172 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 LX2950 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 YH55617 [1,1,0,0,0,0|1,0,0]=3 84 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 YH59540 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1F HL3208 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1N XJ6218 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.1511 CCOC(=O)C1=CN=C(S)N=C1N HL0435 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.2819 CCNS(=O)(=O)C1=C(C)C=CC=C1 RT3745 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1C JZ4394 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1C LT3283 [1,1,0,0,0,0|1,0,0]=3 91 B13R1.4453 CCOC(=O)C1=C(C)N=CN=C1C LQ2555 [1,1,0,0,0,0|2,0,0]=4 92 B15R1.810 CCOC(=O)C1=CC=CC=C1OC(C)=O LQ0980 [0,2,0,0,0,0|1,0,0]=3 93 B15R1.843 CCCOC1=CC=CC=C1C(=N)OCC RT6352 [0,2,0,0,0,0|2,0,0]=4 94 B15R1.9231 CCNC1=CC(Cl)=NC=C1C(=O)OCC YH66236 [0,2,0,0,0,0|1,0,0]=3 95 B15R1.9231 CCOC(=O)C1=CC=C(I)C=C1OCC YH65421 [0,2,0,0,0,0|1,0,0]=3 96 B15R1.811 CCOC(=O)C1=CC=CC=C1S(N)(=O)=O YH09168 [0,2,0,0,0,0|2,0,0]=4 97 B15R1.1239 CCCOC(=O)C1=CC=CC=C1C(=O)O RT11634 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.86 CNC1=CC=CC=C1C(=O)OCC(C)C YH12270 [0,2,0,0,0,0|0,0,0]=2 99 B13R1.42 CCOC(=O)\C=C/C1=CC=CC=C1 RT6272 [0,0,1,1,0,0|1,0,1]=4 100 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 RT18103 [0,0,1,1,0,0|0,0,2]=4 101 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 RT7838 [0,0,1,1,0,0|2,0,0]=4 102 B13R1.466 CCOC(=O)C1=CN(C)C(=O)C=C1 LT5875 [0,0,1,1,0,0|1,0,0]=3 103 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O XJ1811 [1,0,0,1,0,0|1,0,0]=3 104 B13R2.5252 CN1CCCNC2=CC=CC=C21 RT7769 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.5252 O=C1CCCCC2=CC=CC=C12 JZ4201 [1,0,0,1,0,0|1,0,0]=3 106 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 HL0698 [1,0,0,1,0,0|0,0,0]=2 107 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [1,0,0,1,0,0|1,0,1]=4 108 B15R2.73 CCOC(=O)C1=CNC2=CC=CC=C21 HL0447 [0,0,0,1,0,1|0,0,1]=3 109 B15R2.53147 CC(=O)OC1=CN(C)C2=C1C=CC=C2 XJ2406 [0,1,0,1,0,0|1,0,1]=4 110 B15R2.13626 CN1C(=O)OC(=O)C2=C(Cl)C=CC=C21 YH00160 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.199 CCOC(=O)C1=C(C)C=CN1 YH54651 [1,0,0,0,1,0|1,0,0]=3 112 B11R1.199 CCOC(=O)C1=C(C)N=CN1 YH04679 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.199 CCOC(=O)C1=C(C)N=CS1 LX2073 [1,0,0,0,1,0|2,0,0]=4 114 B11R1.199 CCOC(=O)C1=C(C)NC=C1 JZ4299 [1,0,0,0,1,0|1,0,0]=3 115 B11R1.199 CCOC(=O)C1=C(C)OC=C1 YH52165 [1,0,0,0,1,0|1,0,0]=3 116 B11R1.199 CCOC(=O)C1=C(C)ON=C1 YH04436 [1,0,0,0,1,0|2,0,0]=4 117 B11R1.199 CCOC(=O)C1=C(N)C=CN1 LT5971 [1,0,0,0,1,0|1,0,0]=3 118 B11R1.199 CCOC(=O)C1=C(N)C=NN1 LQ5344 [1,0,0,0,1,0|2,0,0]=4 119 B11R1.199 CCOC(=O)C1=C(N)SC=C1 RT15190 [1,0,0,0,1,0|1,0,0]=3 120 B11R1.199 CCOC(=O)C1=CNN=C1C RT18136 [1,0,0,0,1,0|2,0,0]=4