0 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 CCNC(C)C1=CC=CN=C1 RT2509 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [0,0,0,0,0,0|0,0,2]=2 9 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 LL0937 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,0,0,0,0,0|0,0,0]=1 23 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 COC(=N)C1=NC=CC=C1 RT4090 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.15 COC(=O)C1=CN=CN=C1 YH55622 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.15 COC(=O)C1=NC=CC=N1 YH55623 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.15 O=C(CBr)C1=NC=CN=C1 RT9592 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,0,0,0,0,0|1,0,2]=4 52 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,0,0,0,0,0|1,1,1]=4 63 B10R1.17 N#C\C=C\C1=CC=CC=C1 JZ2494 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 OC\C=C\C1=CC=CN=C1 RT7938 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 XJ0996 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 RT17651 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.16 CCOC(=N)C1=CC=C(Cl)C=C1 RT12541 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 HL3014 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 LQ3269 [0,1,0,0,0,0|0,0,0]=1 76 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 LT5203 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CJ2917 [0,1,0,0,0,0|0,0,0]=1 78 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SY0289 [0,1,0,0,0,0|0,0,0]=1 79 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 YH48180 [0,1,0,0,0,0|0,0,0]=1 80 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 YH65801 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 LX2162 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 LX3039 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 LQ2708 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 JZ0578 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 LT4187 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 LQ0709 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.16 O=C(CCCl)C1=CC=C(O)C=C1 RT10798 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 YH47503 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.17 CCOC(=O)C1=CC(=O)NN=C1 LT5882 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 LL0469 [0,1,0,0,0,0|0,0,0]=1 91 B12R1.17 CCOC(=O)C1=CC(C)=CN=C1 HL1082 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.17 CCOC(=O)C1=CC(Cl)=CC=C1 HL0704 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 XJ0783 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 XJ0992 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 XJ3863 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 XJ3351 [0,1,0,0,0,0|0,0,0]=1 97 B12R1.17 CCOC(=O)C1=CC(O)=CN=C1 YH08900 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 YH45965 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 YH04924 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 RT2728 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.17 O=CCC(=O)C1=CC=CC(Br)=C1 RT12743 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.30 CCCNC(=O)C1=NC=CC=C1 CJ3376 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [0,1,0,0,0,0|0,0,0]=1 105 B12R1.30 CNCCC(O)C1=CC=CC=C1 LT3055 [0,1,0,0,0,0|1,0,2]=4 106 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 HL3244 [0,1,0,0,0,0|1,0,2]=4 107 B12R1.30 NCCOC(=O)C1=CN=CC=C1 RT2347 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.30 O=C(CCCO)C1=CC=CN=C1 RT9397 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 YH42419 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.34 CCC(Br)C(=O)C1=CC=CC=C1 RT12924 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 LT5550 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 YH14235 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 RT12173 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,1,0,0,0,0|1,0,2]=4 117 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 HL0179 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HL0178 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,1,0,0,0,0|0,0,0]=1 122 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 YH08753 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.308 CCOC(=O)C1=C(Cl)N=CN=C1 YH65810 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,1,0,0,0,0|0,0,0]=1 126 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 RT2194 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 JZ4908 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.308 CCOC(=O)C1=CN=CN=C1O JZ2600 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl JZ2444 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [0,1,0,0,0,0|2,0,0]=3 133 B10R0.33 CCOC(=O)\C(=C\O)NC=O RT0098 [0,0,1,0,0,0|3,0,0]=4 134 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 YH39555 [0,0,0,1,0,0|1,0,2]=4 135 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [0,0,0,1,0,0|1,0,1]=3 137 B12R2.2 C1=CC=C(N2CCCC2)C=C1 XJ2611 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [0,0,0,1,0,0|2,0,1]=4 139 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [0,0,0,1,0,0|2,0,1]=4 140 B12R2.2 C1=CN=C(C2=NCCC2)C=C1 RT9388 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.2 C1=CN=CC(C2=NCCC2)=C1 LL0933 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.2 C1=CN=CC(C2=NCCO2)=C1 RT2485 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [0,0,0,1,0,0|2,0,1]=4 146 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [0,0,0,1,0,0|2,0,1]=4 147 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [0,0,0,1,0,0|2,0,1]=4 148 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [0,0,0,1,0,0|2,0,1]=4 149 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,0,0,1,0,0|1,0,0]=2 150 B12R2.1081 O=C1CCCC2=CC=CN=C12 LX2062 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.1081 O=C1CCCC2=CC=NC=C12 YH46803 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.1081 O=C1CCCC2=CN=CC=C12 YH46802 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.1081 O=C1CCCC2=NC=CC=C12 YH05749 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,0,0,1,0,0|1,0,0]=2 156 B12R2.1081 O=C1NN=NC2=CC=CC=C12 XJ0164 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,0,0,1,0,0|0,0,0]=1 158 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 JZ1733 [0,0,0,1,0,0|2,0,1]=4 160 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [0,0,0,1,0,0|1,0,1]=3 161 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 LQ2689 [0,0,0,1,0,0|2,0,1]=4 162 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [0,0,0,1,0,0|1,0,1]=3 163 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 LT0095 [0,0,0,1,0,0|2,0,1]=4 164 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,0,0,1,0,0|1,0,0]=2 165 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,0,0,1,0,0|1,0,0]=2 166 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 YH23871 [0,0,0,1,0,0|2,0,1]=4 167 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 LQ2435 [0,0,0,1,0,0|1,0,0]=2 168 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [0,0,0,0,1,0|2,0,0]=3 169 B10R1.11 CCOC(=O)C1=CC=CN1 LX2718 [0,0,0,0,1,0|1,0,0]=2 170 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [0,0,0,0,1,0|1,0,0]=2 171 B10R1.11 CCOC(=O)C1=CNC=N1 XJ4741 [0,0,0,0,1,0|2,0,0]=3 172 B10R1.11 CCOC(=O)C1=CNN=C1 RT14133 [0,0,0,0,1,0|2,0,0]=3 173 B10R1.11 CCOC(=O)C1=CSC=N1 LQ3748 [0,0,0,0,1,0|2,0,0]=3 174 B10R1.11 CCOC(=O)C1=NC=CN1 LQ4757 [0,0,0,0,1,0|2,0,0]=3 175 B10R1.11 CCOC(=O)C1CC=CC1 LQ4260 [0,0,0,0,1,0|0,0,3]=4 176 B10R1.11 O=C(CCCl)C1=CC=CS1 YH65807 [0,0,0,0,1,0|3,0,0]=4 177 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,0,0,0,0,1|1,0,0]=2 178 B12R1.32 CCOC(=O)CC1=CC=NC=C1 RT14075 [0,0,0,0,0,1|1,0,0]=2 179 B12R1.32 CCOC(=O)CC1=NC=CC=C1 XJ2291 [0,0,0,0,0,1|1,0,0]=2 180 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [0,0,0,0,0,1|0,0,0]=1 181 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [2,0,0,0,0,0|0,0,0]=2 183 B9R1.6 CC(=O)C1=CC=NC=C1 HL0648 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.6 CC(=O)C1=CN=CC=C1 LQ0733 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.6 CC(=O)C1=CN=CN=C1 RT1973 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.6 CC(=O)C1=NC=CC=N1 YH05694 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [2,0,0,0,0,0|1,0,1]=4 188 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [2,0,0,0,0,0|1,0,1]=4 189 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [2,0,0,0,0,0|1,0,1]=4 192 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [2,0,0,0,0,0|1,0,1]=4 193 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [2,0,0,0,0,0|0,1,0]=3 194 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.6 NC(=O)C1=CC=CN=C1 XJ0261 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.6 NC(=O)C1=CC=NC=C1 XJ1788 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [2,0,0,0,0,0|1,1,0]=4 200 B9R1.6 O=C(Cl)C1=CC=CN=C1 JZ0788 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.6 O=C(Cl)C1=CC=CN=C1 LT7313 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.6 O=C(Cl)C1=NC=CC=C1 LT5112 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.6 O=C(F)C1=CC=CC=C1 HL1804 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.6 O=C(O)C1=CC=CC=N1 SY0293 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.6 O=C(O)C1=CC=CN=C1 LT7314 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.6 O=C(O)C1=CC=NC=C1 JZ0786 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.6 O=C(O)C1=CN=CN=C1 JZ0399 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.6 O=C(O)C1=CN=NC=C1 XJ5546 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.6 O=C(O)C1=NC=CC=N1 YH53937 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.6 O=C(O)C1=NC=CN=C1 LT6615 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.6 O=C(O)C1=NC=NC=C1 LQ4720 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0026 [2,0,0,0,0,0|0,0,1]=3 213 B9R1.6 O=C([O-])C1=CC=CC=C1 HL0027 [2,0,0,0,0,0|0,0,1]=3 214 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ0044 [2,0,0,0,0,0|0,0,1]=3 215 B9R1.6 O=C([O-])C1=CC=CC=C1 JZ4278 [2,0,0,0,0,0|0,0,1]=3 216 B9R1.6 O=C([O-])C1=CC=CC=C1 LT4848 [2,0,0,0,0,0|0,0,1]=3 217 B9R1.6 O=C([O-])C1=CC=CC=C1 XJ0991 [2,0,0,0,0,0|0,0,1]=3 218 B9R1.6 O=C([O-])C1=CN=CC=C1 LL1069 [2,0,0,0,0,0|1,0,1]=4 219 B9R1.6 O=C([O-])C1=CN=CC=C1 LQ0027 [2,0,0,0,0,0|1,0,1]=4 220 B9R1.6 O=C([O-])C1=NC=CC=C1 JZ5244 [2,0,0,0,0,0|1,0,1]=4 221 B9R1.6 O=C([O-])C1=NC=CC=C1 LQ3798 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.6 O=S(O)C1=CC=CC=C1 LQ1215 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.6 O=S([O-])C1=CC=CC=C1 LL1085 [2,0,0,0,0,0|1,0,1]=4 224 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 XJ0263 [2,0,0,0,0,0|1,0,1]=4 225 B9R1.6 O=[P+]([O-])C1=CC=CC=C1 LQ2659 [2,0,0,0,0,0|1,0,1]=4 226 B9R1.6 OB(O)C1=CC=CC=C1 JZ0681 [2,0,0,0,0,0|1,0,1]=4 227 B9R1.6 [18O]=C([18OH])C1=CC=CC=C1 RT11444 [2,0,0,0,0,0|0,0,0]=2 228 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.8 CCCC1=CC=NC=C1 LT3807 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.8 CCOC1=NC=CC=C1 LT1993 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [2,0,0,0,0,0|0,1,0]=3 232 B9R1.8 CNCC1=CC=CC=C1 RT3204 [2,0,0,0,0,0|1,0,1]=4 233 B9R1.8 COCC1=CC=CN=C1 LQ5401 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [2,0,0,0,0,0|1,1,0]=4 235 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [2,0,0,0,0,0|0,0,1]=3 236 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [2,0,0,0,0,0|0,0,1]=3 237 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [2,0,0,0,0,0|1,0,1]=4 238 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [2,0,0,0,0,0|1,0,1]=4 239 B9R1.8 N#COC1=CC=CC=C1 RT6011 [2,0,0,0,0,0|1,0,1]=4 240 B9R1.8 NOCC1=CC=CC=C1 LT5864 [2,0,0,0,0,0|1,0,1]=4 241 B9R1.8 O=COC1=CC=CC=C1 HL2038 [2,0,0,0,0,0|1,0,1]=4 242 B9R1.8 OCCC1=CC=CC=C1 YH43593 [2,0,0,0,0,0|1,0,1]=4 243 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [2,0,0,0,0,0|1,0,1]=4 245 B11R0.4 C=C\C=C\C=C\CC(=O)OCC RT17411 [0,1,1,0,0,0|0,0,0]=2 246 B11R1.7 CCC(C)(O)C1=CC=CC=C1 JZ4655 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 LQ1163 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.7 COP(C)(=O)C1=CC=CC=C1 JZ2962 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 JZ5229 [1,1,0,0,0,0|1,1,0]=4 250 B11R1.12 CC[C@@H](CCl)C1=CC=CC=C1 RT17488 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.12 COC(OC)C1=CC=CC=C1 HL0685 [1,1,0,0,0,0|0,0,2]=4 252 B11R1.12 COP(OC)C1=CC=CC=C1 JZ2190 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [1,1,0,0,0,0|0,0,0]=2 255 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [1,1,0,0,0,0|0,0,0]=2 256 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 JZ3934 [1,1,0,0,0,0|0,0,0]=2 258 B11R1.22 COC(=O)C1=CC=C(C)N=C1 RT12187 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 HL0691 [1,1,0,0,0,0|0,0,0]=2 260 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 JZ0748 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.22 COC(=O)C1=CC=C(F)C=C1 JZ1260 [1,1,0,0,0,0|0,0,0]=2 262 B11R1.22 COC(=O)C1=CC=C(F)N=C1 XJ1741 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.22 COC(=O)C1=CC=C(I)C=C1 JZ3935 [1,1,0,0,0,0|0,0,0]=2 264 B11R1.22 COC(=O)C1=CC=C(N)C=C1 JZ3936 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.22 COC(=O)C1=CC=C(N)N=C1 JZ1658 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.22 COC(=O)C1=CC=C(O)C=C1 LT7452 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.22 COC(=O)C1=CC=C(O)C=N1 SY0217 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 YH03826 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 LX3189 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 XJ4983 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 YH93944 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 LT5905 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.22 COC(=O)C1=NC=C(O)N=C1 LT5907 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 RT1562 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 LQ2961 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 LL0964 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 HL1818 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 XJ2875 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 HL1296 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 LT2785 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 RT10679 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 HL1817 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 YH11049 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 YH04927 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 LQ3566 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [1,1,0,0,0,0|0,0,0]=2 294 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [1,1,0,0,0,0|0,0,0]=2 296 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 RT2023 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.23 COC(=O)C1=CC(=O)NC=N1 YH16507 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 LQ5409 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 YH24417 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.23 COC(=O)C1=CC(F)=NC=C1 HL1809 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.23 COC(=O)C1=CC(N)=CN=C1 YH56942 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.23 COC(=O)C1=CC(O)=CC=C1 XJ4508 [1,1,0,0,0,0|0,0,0]=2 303 B11R1.23 COC(=O)C1=CC=CC(C)=C1 XJ0280 [1,1,0,0,0,0|0,0,0]=2 304 B11R1.23 COC(=O)C1=CC=CC(N)=C1 HL2757 [1,1,0,0,0,0|0,0,0]=2 305 B11R1.23 COC(=O)C1=CC=NC(N)=C1 RT4204 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 YH50429 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 LX2859 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.23 COC(=O)C1=NC(F)=CC=C1 HL1810 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12209 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 RT12213 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.23 COC(=O)C1=NC=CC(N)=C1 YH15318 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 XJ0840 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.23 O=C(CCl)C1=CC=CC(Cl)=C1 LQ4318 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 JZ3849 [1,1,0,0,0,0|0,0,1]=3 315 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [1,1,0,0,0,0|0,0,0]=2 316 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [1,1,0,0,0,0|0,0,2]=4 318 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [1,1,0,0,0,0|0,0,2]=4 320 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl JZ2121 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.36 O=C(C1=CC=CC=C1)C(F)F HL1767 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.36 O=C(C1=CC=CC=C1)C(O)O JZ4378 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 XJ1125 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [1,1,0,0,0,0|0,0,0]=2 325 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 YH05902 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [1,1,0,0,0,0|0,0,0]=2 329 B11R1.222 COC(=O)C1=C(I)C=CC=C1 LT1761 [1,1,0,0,0,0|0,0,0]=2 330 B11R1.222 COC(=O)C1=C(I)C=NC=C1 YH42716 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HL4261 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.222 COC(=O)C1=C(N)N=CC=N1 LT5963 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.222 COC(=O)C1=C(O)C=CN=C1 YH13199 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.222 COC(=O)C1=C(O)N=CN=C1 JZ2595 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.222 COC(=O)C1=CC=CC=C1O JZ3307 [1,1,0,0,0,0|0,0,0]=2 336 B11R1.222 COC(=O)C1=CC=CN=C1C XJ6093 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.222 COC(=O)C1=CC=CN=C1F XJ0762 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.222 COC(=O)C1=CC=CN=C1N LQ3812 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.222 COC(=O)C1=CN=CN=C1C HL3598 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.222 COC(=O)C1=NC=CC=C1C YH09125 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.222 COC(=O)C1=NC=CC=C1O XJ5981 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.222 O=C(NO)C1=CC=CC=C1O JZ1752 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.222 [2H]OC(=O)C1=CC=CC=C1Cl RT12698 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 CJ3236 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [1,1,0,0,0,0|0,0,2]=4 359 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [1,1,0,0,0,0|0,0,0]=2 360 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,1,0,0,0,0|1,0,1]=4 362 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [1,1,0,0,0,0|0,0,1]=3 368 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [1,1,0,0,0,0|0,0,1]=3 371 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [1,1,0,0,0,0|0,0,2]=4 372 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [1,1,0,0,0,0|0,0,1]=3 376 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [1,1,0,0,0,0|0,1,1]=4 377 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [1,1,0,0,0,0|0,1,1]=4 378 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 XJ5467 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.15 CCOC(=O)C1=CN=C(N)S1 YH54736 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.15 CCOC(=O)C1=CNC(C)=N1 YH91397 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.15 CCOC(=O)C1=COC(N)=N1 RT4500 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 YH39378 [0,1,0,0,1,0|1,0,0]=3 387 B11R1.15 CCOC(=O)C1=CSC(N)=N1 HL2923 [0,1,0,0,1,0|2,0,0]=4 388 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 YH98273 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.15 CCOC(=O)C1=NNC(N)=C1 XJ6802 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.199 CCOC(=O)C1=C(Br)N=CS1 YH65694 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.199 CCOC(=O)C1=C(C)C=CN1 YH54651 [0,1,0,0,1,0|1,0,0]=3 392 B11R1.199 CCOC(=O)C1=C(C)N=CN1 YH04679 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.199 CCOC(=O)C1=C(C)N=CS1 LX2073 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.199 CCOC(=O)C1=C(C)NC=C1 JZ4299 [0,1,0,0,1,0|1,0,0]=3 395 B11R1.199 CCOC(=O)C1=C(C)OC=C1 YH52165 [0,1,0,0,1,0|1,0,0]=3 396 B11R1.199 CCOC(=O)C1=C(C)ON=C1 YH04436 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.199 CCOC(=O)C1=C(N)C=CN1 LT5971 [0,1,0,0,1,0|1,0,0]=3 398 B11R1.199 CCOC(=O)C1=C(N)C=NN1 LQ5344 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.199 CCOC(=O)C1=C(N)SC=C1 RT15190 [0,1,0,0,1,0|1,0,0]=3 400 B11R1.199 CCOC(=O)C1=CNN=C1C RT18136 [0,1,0,0,1,0|2,0,0]=4 401 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 JZ4838 [0,1,0,0,0,1|0,0,0]=2 402 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 YH02840 [0,1,0,0,0,1|0,0,0]=2 403 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 XJ4339 [0,1,0,0,0,1|0,0,0]=2 404 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66166 [0,1,0,0,0,1|1,0,0]=3 405 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66167 [0,1,0,0,0,1|1,0,0]=3 406 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 YH34031 [0,1,0,0,0,1|0,0,0]=2 407 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 YH34030 [0,1,0,0,0,1|0,0,0]=2 408 B13R1.20 CCOC(=O)CC1=CC=CC(O)=C1 RT6158 [0,1,0,0,0,1|0,0,0]=2 409 B13R1.20 O=C(CCCl)NC1=CC=CC(O)=C1 YH65120 [0,1,0,0,0,1|2,0,0]=4 410 B13R1.47 CCOC(=O)C(Br)C1=CC=CC=C1 LQ2328 [0,1,0,0,0,1|0,0,0]=2 411 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 JZ2491 [0,1,0,0,0,1|0,0,0]=2 412 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 RT11043 [0,1,0,0,0,1|1,0,0]=3 413 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 XJ2760 [0,1,0,0,0,1|0,0,0]=2 414 B13R1.348 CC(C)OC(=O)NC1=CC=CC=C1 XJ0463 [0,1,0,0,0,1|0,0,0]=2 415 B13R1.348 CC(Cl)OC(=O)OC1=CC=CC=C1 RT11086 [0,1,0,0,0,1|0,0,0]=2 416 B13R1.470 CCOC(=O)CC1=CC=CC=C1O RT11045 [0,1,0,0,0,1|0,0,0]=2 417 B13R1.470 C\C=C\C(=O)NC1=CC=CC=C1C RT11246 [0,1,0,0,0,1|1,0,1]=4 418 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 LT2754 [0,2,0,0,0,0|1,0,0]=3 419 B13R1.17 CCCCC(=O)C1=CC=C(C)C=C1 LQ1869 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.17 CCCOC(=O)C1=CC=C(N)C=C1 HL1244 [0,2,0,0,0,0|0,0,0]=2 421 B13R1.17 CCCOC(=O)C1=CC=C([O-])C=C1 YH56463 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 LT6436 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 LT2763 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 JZ1714 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 JZ1715 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 JZ5729 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 LQ1746 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 LT5632 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.452 C=CC1=CC=C(C(=O)OCC)C=C1 YH51162 [0,2,0,0,0,0|0,0,0]=2 430 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 LT2976 [0,2,0,0,0,0|0,0,0]=2 431 B13R1.452 CCOC(=O)C1=CC=C(CBr)C=C1 LQ4527 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.452 CCOC(=O)C1=CC=C(NC)C=C1 RT3205 [0,2,0,0,0,0|0,0,0]=2 433 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 YH35358 [0,2,0,0,0,0|0,0,0]=2 434 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 LQ0231 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 YH17643 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.452 CCOC(=O)C1=CN=C(SC)N=C1 LL1309 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.452 CCOC(=O)C1=NC=C(CO)N=C1 LX2206 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 LT4193 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.466 CC1=CC=C(C(=O)CCCl)C=C1C CJ2843 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.466 CCCC(=O)C1=CC=C(O)C(O)=C1 RT6100 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.466 CCOC(=O)C1=CC(=O)N(C)C=C1 LT5880 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.466 CCOC(=O)C1=CC(Cl)=C(N)C=C1 LT2023 [0,2,0,0,0,0|0,0,0]=2 443 B13R1.466 CCOC(=O)C1=CC=C(O)C(Br)=C1 YH66436 [0,2,0,0,0,0|0,0,0]=2 444 B13R1.466 CCOC(=O)C1=CN(C)C(=O)C=C1 LT5875 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.466 CCOC(=O)C1=CN=C(C)C(C)=C1 RT9408 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HL1306 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 YH55617 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 YH59540 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.1511 CCOC(=O)C1=C(O)N=C(N)N=C1 YH36691 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1F HL3208 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1Cl YH04925 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1N XJ6218 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.1511 CCOC(=O)C1=CN=C(S)N=C1N HL0435 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.1511 CCOC(=O)C1=CNC(=O)NC1=O LQ4602 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.22 CON(C)C(=O)C1=CC(Br)=CC=C1 YH45394 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.446 CCOC(=O)C1=CC(Cl)=CC=C1O RT11873 [0,2,0,0,0,0|0,0,0]=2 457 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1Cl LL2172 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.450 CCOC(=O)C1=CC(O)=CC(O)=C1 YH65534 [0,2,0,0,0,0|0,0,0]=2 459 B13R1.460 CCOC(=O)C1=CC(C#N)=NC=C1 RT9859 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 LL0475 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 LL1950 [0,2,0,0,0,0|1,0,1]=4 462 B13R1.11 CCC(C)NC(=O)C1=NC=CC=C1 CJ3374 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 JZ4330 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 XJ2107 [0,2,0,0,0,0|0,0,1]=3 466 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 RT9342 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 LT1122 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 YH00033 [0,2,0,0,0,0|0,0,1]=3 469 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 RT15426 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.45 O=C(O)CSC(=O)C1=CC=CC=C1 YH65347 [0,2,0,0,0,0|0,1,1]=4 471 B13R1.122 CCCOS(=O)(=O)C1=CC=CC=C1 RT8804 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 LX2950 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.86 CCN(CC)C(=O)C1=CC=CC=C1 LQ1920 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.86 CCN(CC)C(=O)C1=CC=CN=C1 LT7399 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 LX2407 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.347 CC(C)OS(=O)(=O)C1=CC=CC=C1 RT12175 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.2819 CCNS(=O)(=O)C1=C(C)C=CC=C1 RT3745 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1C JZ4394 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.201 CC(C)CC(=O)C1=CC=CC=C1Br CJ2837 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O JZ3931 [0,2,0,0,0,0|0,0,0]=2 481 B13R1.464 CCOC(=O)C1=CC=CC=C1CCl YH36514 [0,2,0,0,0,0|0,0,0]=2 482 B13R1.464 CCOC(=O)C1=NC=CC=C1C#N YH98529 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1C LT3283 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.4453 CCOC(=O)C1=C(C)N=CN=C1C LQ2555 [0,2,0,0,0,0|2,0,0]=4 485 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,1,0,0|1,0,1]=4 486 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [1,0,0,1,0,0|2,0,0]=4 487 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [1,0,0,1,0,0|1,0,1]=4 488 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [1,0,0,1,0,0|1,0,1]=4 489 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [1,0,0,1,0,0|1,0,1]=4 490 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [1,0,0,1,0,0|0,0,2]=4 491 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,1,0,0|0,0,0]=2 492 B11R2.1 O=C1CCC2=CC=CN=C12 YH53701 [1,0,0,1,0,0|1,0,0]=3 493 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [1,0,0,1,0,0|1,0,0]=3 494 B11R2.1 O=C1NCC2=C1C=NC=C2 YH59390 [1,0,0,1,0,0|2,0,0]=4 495 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [1,0,0,1,0,0|1,0,0]=3 496 B11R2.1 O=C1NCC2=NC=CC=C12 YH59389 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.1 O=C1NOC2=CC=CC=C12 LQ4291 [1,0,0,1,0,0|2,0,0]=4 498 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [1,0,0,1,0,0|2,0,0]=4 499 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH00383 [1,0,0,1,0,0|1,0,1]=4 500 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH16483 [1,0,0,1,0,0|1,0,1]=4 501 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [1,0,0,1,0,0|2,0,0]=4 502 B13R2.15 O=C1CCCN1C2=CC=CC=C2 LQ2710 [0,0,0,1,0,1|1,0,0]=3 503 B13R2.15 O=C1NCCN1C2=CC=CC=C2 YH42112 [0,0,0,1,0,1|1,0,0]=3 504 B13R2.15 O=C1OCCN1C2=CC=CC=C2 JZ4122 [0,0,0,1,0,1|0,0,0]=2 505 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 YH09263 [0,0,0,1,0,1|2,0,0]=4 506 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 CJ2892 [0,0,0,1,0,1|2,0,0]=4 507 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 XJ2660 [0,0,0,1,0,1|1,0,0]=3 508 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 JZ3930 [0,0,0,1,0,1|1,0,1]=4 509 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [0,0,0,1,0,1|1,0,1]=4 510 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 HL0421 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 LT5014 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 YH22096 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 HL0423 [0,1,0,1,0,0|1,0,1]=4 514 B13R2.3 C1=CC=C(C2COCCN2)C=C1 YH33694 [0,1,0,1,0,0|1,0,1]=4 515 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 JZ4499 [0,1,0,1,0,0|1,0,1]=4 516 B13R2.10 CC1=NN=C(C2=CC=CC=C2)O1 XJ2575 [0,1,0,1,0,0|1,0,1]=4 517 B13R2.2931 CN1C=C(C=O)C2=C1C=CC=C2 JZ5273 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.2931 NCC1OC(=O)C2=C1C=CC=C2 RT6239 [0,1,0,1,0,0|0,0,0]=2 519 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 YH14397 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.520 O=C(C1=CC=C(F)C=C1)C2CC2 HL0424 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.5179 CC1=CC=C2C(=O)CCOC2=C1 LT5927 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 LQ2489 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 RT2455 [0,1,0,1,0,0|1,0,0]=3 524 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 LQ2488 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.5179 O=C1CCCC2=CC(Br)=CC=C12 YH12709 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.5179 O=C1CCCC2=CC(Cl)=CC=C12 YH65510 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 LX2938 [0,1,0,1,0,0|1,0,0]=3 528 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 YH66658 [0,1,0,1,0,0|1,0,0]=3 529 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 RT2428 [0,1,0,1,0,0|1,0,0]=3 530 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 XJ0647 [0,1,0,1,0,0|1,0,1]=4 531 B13R2.5187 O=C1OC(=O)C2=CC(O)=CC=C12 LT5970 [0,1,0,1,0,0|1,0,1]=4 532 B13R2.13 BrC1=CC(C2OCCO2)=CC=C1 JZ5205 [0,1,0,1,0,0|0,0,2]=4 533 B13R2.342 O=C1CCCC2=C1C=CC=C2O RT11785 [0,1,0,1,0,0|1,0,0]=3 534 B13R2.342 O=C1CCOC2=C1C=CC=C2F YH24821 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 YH07394 [0,1,0,1,0,0|1,0,0]=3 536 B13R2.371 O=C1NCC(O)C2=C1C=CC=C2 RT7909 [0,1,0,1,0,0|1,0,0]=3 537 B13R2.5252 O=C1CCCCC2=CC=CC=C12 JZ4201 [0,1,0,1,0,0|1,0,0]=3 538 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 HL0698 [0,1,0,1,0,0|1,0,0]=3 539 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 HL2946 [0,1,0,1,0,0|1,0,0]=3 540 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O XJ1811 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O LX2212 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 CJ2941 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 XJ0132 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.18 BrC1=CC=CC=C1C2OCCO2 XJ5196 [0,1,0,1,0,0|0,0,2]=4 545 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [1,0,0,0,1,0|1,0,0]=3 546 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [1,0,0,0,1,0|1,0,0]=3 547 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [1,0,0,0,1,0|1,0,0]=3 548 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [1,0,0,0,1,0|1,0,0]=3 549 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [1,0,0,0,1,0|1,0,0]=3 550 B9R1.11 COC(=O)C1=CNC=C1 YH51079 [1,0,0,0,1,0|1,0,0]=3 551 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [1,0,0,0,1,0|2,0,0]=4 552 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [1,0,0,0,1,0|2,0,0]=4 553 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [1,0,0,0,1,0|1,1,0]=4 554 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [1,0,0,0,1,0|2,0,0]=4 555 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 RT6473 [0,0,0,0,0,2|0,0,2]=4 556 B13R1.42 C=COC(=O)\C=C\C1=CC=CC=C1 LQ2371 [0,0,0,0,0,2|0,0,2]=4 557 B13R1.42 CC#CC(=O)CCC1=CC=CC=C1 RT6038 [0,0,0,0,0,2|1,0,1]=4 558 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 LL0317 [0,0,0,0,0,2|1,0,0]=3 559 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 LT5401 [0,0,0,0,0,2|0,0,0]=2 560 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 RT1472 [0,0,0,0,0,2|0,0,0]=2 561 B13R1.42 CCOC(=O)\C=C/C1=CC=CC=C1 RT6272 [0,0,0,0,0,2|0,0,0]=2 562 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 RT18103 [0,0,0,0,0,2|1,0,0]=3 563 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 RT7838 [0,0,0,0,0,2|1,0,0]=3 564 B13R1.42 O=C(CCBr)NCC1=CC=CC=C1 YH38780 [0,0,0,0,0,2|2,0,0]=4 565 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 RT10908 [0,0,0,0,0,2|2,0,0]=4