0 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.32 CCOC(=O)CC1=CC=NC=C1 RT14075 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 CCOC(=O)CC1=NC=CC=C1 XJ2291 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.40 NNC(=O)CC1=CC=CN=C1 YH43733 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 RT9532 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.40 O=C(CCl)NC1=NC=CC=C1 RT2329 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [1,0,0,0,0,0|1,0,0]=2 35 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 JZ4838 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 YH02840 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 XJ4339 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66166 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 YH66167 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 YH34031 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 YH34030 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.20 CCOC(=O)CC1=CC=CC(O)=C1 RT6158 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.20 O=C(CCCl)NC1=CC=CC(O)=C1 YH65120 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.47 CCOC(=O)C(Br)C1=CC=CC=C1 LQ2328 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 JZ2491 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC HL2463 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 RT11043 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 XJ2760 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.348 CC(C)OC(=O)NC1=CC=CC=C1 XJ0463 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.348 CC(Cl)OC(=O)OC1=CC=CC=C1 RT11086 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.470 CCOC(=O)CC1=CC=CC=C1O RT11045 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.470 C\C=C\C(=O)NC1=CC=CC=C1C RT11246 [0,1,0,0,0,0|2,0,1]=4 53 B11R0.4 C=C\C=C\C=C\CC(=O)OCC RT17411 [0,0,1,0,0,0|0,0,0]=1 54 B13R2.15 O=C1CCCN1C2=CC=CC=C2 LQ2710 [0,0,0,1,0,0|2,0,0]=3 55 B13R2.15 O=C1NCCN1C2=CC=CC=C2 YH42112 [0,0,0,1,0,0|2,0,0]=3 56 B13R2.15 O=C1OCCN1C2=CC=CC=C2 JZ4122 [0,0,0,1,0,0|1,0,0]=2 57 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 YH09263 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 YH66316 [0,0,0,1,0,0|2,0,1]=4 59 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 CJ2892 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 XJ2660 [0,0,0,1,0,0|2,0,0]=3 61 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 JZ3930 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 LQ0482 [0,0,0,1,0,0|2,0,1]=4 63 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,0,0,0,1,0|2,0,1]=4 64 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,0,0,0,1,0|2,0,1]=4 65 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,0,0,0,1,0|1,0,0]=2 66 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,0,0,0,1,0|0,0,0]=1 67 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,0,0,0,1,0|0,0,0]=1 68 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [0,0,0,0,1,0|1,0,0]=2 69 B11R1.16 CCOC(=O)C1=CC=NN=C1 YH58768 [0,0,0,0,1,0|2,0,0]=3 70 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [0,0,0,0,1,0|0,0,2]=3 71 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [0,0,0,0,1,0|1,0,0]=2 72 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [0,0,0,0,1,0|2,0,0]=3 73 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,0,0,0,1,0|2,0,0]=3 74 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,0,0,0,1,0|2,0,1]=4 75 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,0,0,0,1,0|2,0,0]=3 77 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 LL0937 [0,0,0,0,1,0|2,0,1]=4 78 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 RT6473 [0,0,0,0,0,1|0,0,2]=3 79 B13R1.42 C=COC(=O)\C=C\C1=CC=CC=C1 LQ2371 [0,0,0,0,0,1|0,0,3]=4 80 B13R1.42 CC#CC(=O)CCC1=CC=CC=C1 RT6038 [0,0,0,0,0,1|1,0,1]=3 81 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 LL0317 [0,0,0,0,0,1|1,0,0]=2 82 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 LT5401 [0,0,0,0,0,1|0,0,0]=1 83 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 RT1472 [0,0,0,0,0,1|0,0,0]=1 84 B13R1.42 CCOC(=O)\C=C/C1=CC=CC=C1 RT6272 [0,0,0,0,0,1|0,0,1]=2 85 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 RT18103 [0,0,0,0,0,1|1,0,1]=3 86 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 RT7838 [0,0,0,0,0,1|1,0,1]=3 87 B13R1.42 O=C(CCBr)NCC1=CC=CC=C1 YH38780 [0,0,0,0,0,1|2,0,0]=3 88 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 RT10908 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.17 COCCC1=NC=CC=C1 LT3761 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [2,0,0,0,0,0|1,1,0]=4 103 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [2,0,0,0,0,0|0,0,0]=2 104 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [2,0,0,0,0,0|1,1,0]=4 108 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [2,0,0,0,0,0|0,0,2]=4 112 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [2,0,0,0,0,0|1,1,0]=4 117 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [2,0,0,0,0,0|0,0,0]=2 120 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.18 O=C(O)CC1=CN=CN=C1 YH05329 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [2,0,0,0,0,0|1,0,0]=3 127 B12R1.1 CCCCCC1=CC=C(Br)C=C1 LT0070 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.1 CCCCCC1=CC=C(O)C=C1 JZ4991 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.8 BrCCCOCC1=CC=CC=C1 YH06316 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.8 CCCCCCC1=CC=CC=C1 JZ4393 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.8 CCCCOCC1=CC=CC=C1 HL0050 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.8 OCCCOCC1=CC=CC=C1 JZ2614 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [1,1,0,0,0,0|0,0,2]=4 135 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.267 CCO\C=C\C1=CC=CC=C1Cl RT6428 [1,1,0,0,0,0|0,0,1]=3 139 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 YH42419 [1,1,0,0,0,0|0,0,1]=3 140 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 LT5550 [1,1,0,0,0,0|0,0,1]=3 141 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 HL2426 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 LT6303 [1,1,0,0,0,0|0,0,0]=2 143 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 RT6453 [1,1,0,0,0,0|0,0,0]=2 144 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 XJ2183 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 JZ1254 [1,1,0,0,0,0|0,0,0]=2 146 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 JZ1904 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 LQ0318 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 RT15818 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 XJ5486 [1,1,0,0,0,0|0,0,0]=2 150 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 YH05226 [1,1,0,0,0,0|0,0,0]=2 151 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 JZ4903 [1,1,0,0,0,0|0,0,0]=2 152 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 YH55824 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 HL0709 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 LL2312 [1,1,0,0,0,0|0,0,0]=2 155 B12R1.50 COC(=O)CC1=NC(C)=CC=C1 CJ2938 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.118 CCN(CC)CC1=CC=CC=C1 HL0428 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 YH66211 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,1,0,0,1,0|1,0,0]=3 160 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 XJ0996 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.16 CCOC(=N)C1=CC=C(Cl)C=C1 RT12541 [0,1,0,0,1,0|1,0,0]=3 162 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 HL3014 [0,1,0,0,1,0|0,0,0]=2 163 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 LQ3269 [0,1,0,0,1,0|0,0,0]=2 164 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 LT5203 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CJ2917 [0,1,0,0,1,0|0,0,0]=2 166 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SY0289 [0,1,0,0,1,0|0,0,0]=2 167 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 YH48180 [0,1,0,0,1,0|0,0,0]=2 168 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 YH65801 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 LX2162 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 LX3039 [0,1,0,0,1,0|1,0,0]=3 171 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 LT4187 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 LQ0709 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.16 O=C(CCCl)C1=CC=C(O)C=C1 RT10798 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 YH47503 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.17 CCOC(=O)C1=CC(=O)NN=C1 LT5882 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 LL0469 [0,1,0,0,1,0|0,0,0]=2 177 B12R1.17 CCOC(=O)C1=CC(C)=CN=C1 HL1082 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.17 CCOC(=O)C1=CC(Cl)=CC=C1 HL0704 [0,1,0,0,1,0|0,0,0]=2 179 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 XJ0783 [0,1,0,0,1,0|0,0,0]=2 180 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 XJ0992 [0,1,0,0,1,0|0,0,0]=2 181 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 XJ3863 [0,1,0,0,1,0|1,0,0]=3 182 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 XJ3351 [0,1,0,0,1,0|0,0,0]=2 183 B12R1.17 CCOC(=O)C1=CC(O)=CN=C1 YH08900 [0,1,0,0,1,0|1,0,0]=3 184 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 YH45965 [0,1,0,0,1,0|1,0,0]=3 185 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 YH04924 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 RT2728 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 RT12173 [0,1,0,0,1,0|1,0,0]=3 188 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,1,0|1,0,1]=4 189 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,1,0,0,1,0|0,0,0]=2 190 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 YH08753 [0,1,0,0,1,0|1,0,0]=3 191 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,1,0,0,1,0|0,0,0]=2 192 B12R1.308 CCOC(=O)C1=C(Cl)N=CN=C1 YH65810 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,1,0,0,1,0|0,0,0]=2 194 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,1,0,0,1,0|0,0,0]=2 195 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 RT2194 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 JZ4908 [0,1,0,0,1,0|1,0,0]=3 197 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [0,1,0,0,1,0|1,0,0]=3 198 B12R1.308 CCOC(=O)C1=CN=CN=C1O JZ2600 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [0,1,0,0,1,0|2,0,0]=4 200 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 HL1242 [0,1,0,0,0,1|0,0,0]=2 201 B14R1.29 CCOC(=O)CS(=O)C1=CC=CC=C1 XJ5713 [0,1,0,0,0,1|0,0,0]=2 202 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 RT11872 [0,1,0,0,0,1|0,0,1]=3 203 B14R1.32 CCOC(=O)CCC1=CC=CC(N)=C1 YH66600 [0,1,0,0,0,1|0,0,0]=2 204 B14R1.60 CCOC(=O)C(Br)CC1=CC=CC=C1 RT11926 [0,1,0,0,0,1|0,0,0]=2 205 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 RT11995 [0,1,0,0,0,1|1,0,1]=4 206 B14R1.156 C=CCNC(=O)OCC1=CC=CC=C1 YH66663 [0,1,0,0,0,1|1,0,1]=4 207 B14R1.156 CCCOC(=O)\C=C\C1=CC=CC=C1 JZ3259 [0,1,0,0,0,1|0,0,1]=3 208 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 LX3287 [0,1,0,0,0,1|1,0,0]=3 209 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 JZ5402 [0,1,0,0,0,1|0,0,1]=3 210 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 LT5392 [0,1,0,0,0,1|0,0,1]=3 211 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 XJ2320 [0,1,0,0,0,1|0,0,1]=3 212 B14R1.502 CCOC(=O)\C=C\C1=CC=C(S)C=C1 RT19777 [0,1,0,0,0,1|0,0,1]=3 213 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=[N+]1[O-] RT0018 [0,1,0,0,0,1|1,0,1]=4 214 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 XJ5866 [0,1,0,0,0,1|2,0,0]=4 215 B14R1.756 N[C@H](CO)C(=O)OCC1=CC=CC=C1 LX2991 [0,1,0,0,0,1|2,0,0]=4 216 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 YH44497 [0,2,0,0,0,0|0,0,1]=3 217 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 XJ5220 [0,2,0,0,0,0|0,0,1]=3 218 B14R1.954 CCOC(=O)CC1=NC=C(CC)C=C1 RT7880 [0,2,0,0,0,0|1,0,0]=3 219 B14R1.6823 CCOC(=O)CC1=C(Cl)C=C(Cl)C=C1 YH00369 [0,2,0,0,0,0|0,0,0]=2 220 B14R1.6823 CCOC(=O)CC1=CC=C(Br)C=C1Cl RT11859 [0,2,0,0,0,0|0,0,0]=2 221 B14R1.962 CCOC(=O)CC1=CC(OC)=CC=C1 YH56641 [0,2,0,0,0,0|0,0,0]=2 222 B14R1.5978 CC(C)OC(=O)NC1=CC(Cl)=CC=C1 LQ0311 [0,2,0,0,0,0|1,0,0]=3 223 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 LT4351 [0,2,0,0,0,0|0,0,0]=2 224 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 RT5262 [0,2,0,0,0,0|1,0,1]=4 225 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 LX2261 [0,2,0,0,0,0|0,0,0]=2 226 B14R1.604 CCOC(=O)C(C#N)C1=CC=CC=C1 HL2789 [0,2,0,0,0,0|0,0,0]=2 227 B14R1.3348 CCOC(=O)[C@@H](O)C1=CC=CC=C1Cl RT18860 [0,2,0,0,0,0|0,0,0]=2 228 B14R1.3348 CCOC(=O)[C@H](O)C1=CC=CC=C1Cl RT18749 [0,2,0,0,0,0|0,0,0]=2 229 B14R1.532 CCN(CC)C(=O)CC1=CC=CC=C1 XJ2145 [0,2,0,0,0,0|1,0,0]=3 230 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 LL1722 [0,2,0,0,0,0|2,0,0]=4 231 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 YH58393 [0,2,0,0,0,0|2,0,0]=4 232 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 YH12656 [0,2,0,0,0,0|1,0,0]=3 233 B12R2.1 CCN1C=CC2=CC=CC=C21 JZ3474 [1,0,0,1,0,0|1,0,1]=4 234 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [1,0,0,1,0,0|2,0,0]=4 235 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [1,0,0,1,0,0|2,0,0]=4 236 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [1,0,0,1,0,0|1,0,1]=4 237 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [1,0,0,1,0,0|1,0,1]=4 238 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [1,0,0,1,0,0|2,0,0]=4 240 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [1,0,0,1,0,0|1,0,1]=4 241 B12R2.41 C1=CC=C2CCNCCC2=C1 XJ2659 [1,0,0,1,0,0|1,0,1]=4 242 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [1,0,0,1,0,0|1,0,1]=4 243 B12R2.18 CC1=NC2=CC=CC=C2C1C LT0091 [1,0,0,1,0,0|2,0,0]=4 244 B12R2.18 CC1C(=O)NC2=C1C=CC=N2 RT15552 [1,0,0,1,0,0|2,0,0]=4 245 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [1,0,0,1,0,0|1,0,0]=3 246 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [1,0,0,1,0,0|1,0,0]=3 247 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [1,0,0,1,0,0|1,0,1]=4 248 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [1,0,0,1,0,0|1,0,1]=4 249 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [1,0,0,1,0,0|1,0,1]=4 250 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [1,0,0,1,0,0|1,0,1]=4 251 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [1,0,0,1,0,0|1,0,0]=3 252 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [1,0,0,1,0,0|1,0,0]=3 253 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [1,0,0,1,0,0|1,0,0]=3 254 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [1,0,0,1,0,0|1,0,0]=3 255 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 LQ2500 [1,0,0,1,0,0|1,0,1]=4 256 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 YH42114 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,0,0,1,1,0|2,0,0]=4 258 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [0,0,0,1,1,0|1,0,1]=4 259 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [0,0,0,1,1,0|1,0,1]=4 260 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,0,0,1,1,0|1,0,0]=3 261 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,0,0,1,1,0|1,0,0]=3 262 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 LQ2435 [0,0,0,1,1,0|1,0,0]=3 263 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 YH35521 [0,0,0,1,0,1|2,0,0]=4 264 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 LX2866 [0,0,0,1,0,1|1,0,0]=3 265 B14R2.30 O=C1NCCN1CC2=CC=CC=C2 RT7750 [0,0,0,1,0,1|1,0,0]=3 266 B14R2.101 C1=CC=C(CCC2=NCCC2)C=C1 RT5931 [0,0,0,1,0,1|2,0,0]=4 267 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 YH38139 [0,0,0,1,0,1|1,0,0]=3 268 B14R2.598 C[C@@H]1NC(=O)O[C@H]1C2=CC=CC=C2 RT9666 [0,0,0,1,0,1|1,0,0]=3 269 B14R2.949 O=C(CC1=CC=C(F)C=C1)C2CC2 RT11216 [0,1,0,1,0,0|1,0,0]=3 270 B14R2.111 CCCC1=CC2=C(C1)C(Cl)=CC=C2 YH20381 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 YH47335 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.9059 O=C(CC1=CC=CC(F)=C1)C2CC2 RT12757 [0,1,0,1,0,0|1,0,0]=3 273 B14R2.517 O=C1NC2=CC=CC=C2N1CCCl RT6292 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.44 CCCC1CC2=C(C=CC=C2)C1=O YH95821 [0,1,0,1,0,0|1,0,1]=4 275 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 YH65765 [0,1,0,1,0,0|1,0,0]=3 276 B14R2.317 CC1(C2=CC=CC=C2)CCCC1=O YH03928 [0,1,0,1,0,0|1,0,0]=3 277 B14R2.15694 O=C(C1CC1)C(Br)C2=CC=CC=C2 RT10538 [0,1,0,1,0,0|1,0,0]=3 278 B14R2.19306 CCC1C(=O)N(C)C2=C1C=CC=C2 YH66064 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br LT6328 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.4621 O=C(CC1=CC=CC=C1F)C2CC2 JZ0249 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,0,0,0,1,0|0,0,0]=2 282 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,0,0,0,1,0|1,0,0]=3 283 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,0,0,0,1,0|1,0,1]=4 284 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,0,0,0,1,0|1,0,1]=4 285 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,0,0,0,1,0|1,0,0]=3 286 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,0,0,0,1,0|2,0,0]=4 287 B10R1.15 COC(=N)C1=NC=CC=C1 RT4090 [1,0,0,0,1,0|2,0,0]=4 288 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [1,0,0,0,1,0|1,0,0]=3 289 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [1,0,0,0,1,0|1,0,0]=3 290 B10R1.15 COC(=O)C1=CN=CN=C1 YH55622 [1,0,0,0,1,0|2,0,0]=4 291 B10R1.15 COC(=O)C1=NC=CC=N1 YH55623 [1,0,0,0,1,0|2,0,0]=4 292 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,0,0,0,1,0|1,0,0]=3 293 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,0,0,0,1,0|2,0,0]=4 294 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,0,0,0,1,0|2,0,0]=4 295 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,0,0,0,1,0|1,0,0]=3 296 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,0,0,0,1,0|1,0,0]=3 297 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [1,0,0,0,1,0|2,0,0]=4 298 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [1,0,0,0,1,0|2,0,0]=4 299 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,0,0,0,1,0|1,0,0]=3 300 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,0,0,0,1,0|2,0,0]=4 301 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [0,0,0,0,2,0|2,0,0]=4 302 B10R1.11 CCOC(=O)C1=CC=CN1 LX2718 [0,0,0,0,2,0|1,0,0]=3 303 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [0,0,0,0,2,0|1,0,0]=3 304 B10R1.11 CCOC(=O)C1=CNC=N1 XJ4741 [0,0,0,0,2,0|2,0,0]=4 305 B10R1.11 CCOC(=O)C1=CNN=C1 RT14133 [0,0,0,0,2,0|2,0,0]=4 306 B10R1.11 CCOC(=O)C1=CSC=N1 LQ3748 [0,0,0,0,2,0|2,0,0]=4 307 B10R1.11 CCOC(=O)C1=NC=CN1 LQ4757 [0,0,0,0,2,0|2,0,0]=4 308 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 LL0326 [0,0,0,0,0,2|1,0,0]=3 309 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 LX2794 [0,0,0,0,0,2|1,0,0]=3 310 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 LT5144 [0,0,0,0,0,2|0,0,0]=2 311 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 JZ0159 [0,0,0,0,0,2|0,0,0]=2 312 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 JZ2900 [0,0,0,0,0,2|0,0,0]=2 313 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 RT5039 [0,0,0,0,0,2|0,0,0]=2