0 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 COCCC1=NC=CC=C1 LT3761 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.17 N#C\C=C\C1=CC=CC=C1 JZ2494 [0,0,0,0,0,0|1,0,3]=4 24 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [0,0,0,0,0,0|1,0,3]=4 25 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [0,0,0,0,0,0|0,0,2]=2 28 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [0,0,0,0,0,0|0,0,2]=2 30 B10R1.17 O=C\C=C\C1=CC=CN=C1 RT18185 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.17 O=C\C=C\C1=CC=CN=C1 XJ5146 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [0,0,0,0,0,0|0,0,4]=4 33 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [0,0,0,0,0,0|1,0,2]=3 35 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [0,0,0,0,0,0|1,0,2]=3 38 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 CCOC1=NC=CC=C1 LT1993 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 NCCC1=CC=NC=C1 YH11719 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.8 O=C=NC1=NC=CC=C1 RT8706 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|0,0,0]=1 67 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.8 O=N\C=C1\C=CC=CN1 RT8508 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|0,0,1]=2 71 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.8 SCCC1=CC=NC=C1 RT10479 [1,0,0,0,0,0|1,1,0]=3 74 B9R1.8 SCCC1=NC=CC=C1 RT10478 [1,0,0,0,0,0|1,1,0]=3 75 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|1,0,1]=3 76 B11R1.1 C(=O)CCC1=CC=C(Cl)C=C1 YH17360 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.1 C=CCOC1=CC=C(O)C=C1 YH11629 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.1 ClC1=CC=C(CCCBr)C=C1 CJ2951 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.1 O=C\C=C/C1=CC=C(F)C=C1 LQ4418 [0,1,0,0,0,0|0,0,2]=3 83 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 CJ3237 [0,1,0,0,0,0|0,0,2]=3 84 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 RT17701 [0,1,0,0,0,0|0,0,2]=3 85 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.1 OC1=CC=C(CN=C=S)C=C1 RT13139 [0,1,0,0,0,0|1,1,1]=4 88 B11R1.1 OCCCC1=CC=C(Br)C=C1 XJ4838 [0,1,0,0,0,0|0,0,2]=3 89 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,1,0,0,0,0|1,0,2]=4 94 B11R1.16 N#CCC(O)C1=CC=CC=C1 RT6095 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,1,0,0,0,0|0,0,2]=3 96 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,1,0,0,0,0|0,0,2]=3 99 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.17 C=CCOC1=CC=CC=C1O HL0688 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.17 COCCC1=CC=CC=C1O RT11073 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.17 FCCSC1=CC=CC=C1Br LT1460 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.17 NCCOC1=CC=CC=C1O RT2926 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.17 O=C\C=C\C1=CC=CC=C1Br HL3477 [0,1,0,0,0,0|0,0,2]=3 106 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl HL3476 [0,1,0,0,0,0|0,0,2]=3 107 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl XJ1942 [0,1,0,0,0,0|0,0,2]=3 108 B11R1.17 O=C\C=C\C1=CC=CC=C1F LL2290 [0,1,0,0,0,0|0,0,2]=3 109 B11R1.24 COCCC1=CC(O)=CC=C1 RT10599 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.24 FCCOC1=CC(Br)=CC=C1 LT1466 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.24 OCCOC1=CC(O)=CC=C1 RT7314 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [0,1,0,0,0,0|0,0,1]=2 130 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [0,1,0,0,0,0|0,0,2]=3 133 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [0,1,0,0,0,0|0,0,2]=3 134 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [0,1,0,0,0,0|0,0,2]=3 135 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [0,1,0,0,0,0|0,0,2]=3 136 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [0,1,0,0,0,0|0,0,2]=3 137 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [0,1,0,0,0,0|0,0,2]=3 138 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [0,1,0,0,0,0|0,1,1]=3 139 B11R1.28 [N-]=[N+]=NCSC1=CC=CC=C1 HL4621 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.40 CNC(C)CC1=CC=CN=C1 RT1972 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,1,0,0,0,0|0,0,3]=4 149 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 XJ4438 [0,1,0,0,0,0|0,0,2]=3 150 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.91 CC(=O)C#CC1=CC=CC=C1 XJ1968 [0,1,0,0,0,0|0,0,2]=3 152 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.91 CC(=O)NNC1=CC=CC=C1 HL1438 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.91 NC(=O)COC1=CC=CC=C1 JZ3987 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.91 NC(=O)NNC1=CC=CC=C1 LL0305 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [0,1,0,0,0,0|0,0,2]=3 164 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,1,0,0,0,0|1,1,0]=3 165 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [0,1,0,0,0,0|0,0,2]=3 167 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 YH25200 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [0,1,0,0,0,0|0,0,2]=3 169 B11R1.91 O=C(O)COC1=CC=CC=N1 YH08506 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.91 O=C(O)COC1=CC=CN=C1 LL1584 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HL0692 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 JZ5354 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 XJ2849 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 LQ3273 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.91 O=C([O-])CNC1=CC=CC=C1 LT5790 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [0,1,0,0,0,0|0,0,2]=3 180 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [0,1,0,0,0,0|0,0,2]=3 181 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 LQ2816 [0,1,0,0,0,0|1,0,2]=4 182 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.1 BrC1=NNC2=CC=CC=C21 LX3057 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,0,0,1,0,0|1,0,1]=3 185 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [0,0,0,1,0,0|2,0,1]=4 187 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [0,0,0,1,0,0|2,0,1]=4 189 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [0,0,0,1,0,0|2,0,0]=3 190 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.1 ClC1=NSC2=C1C=CC=C2 LQ3345 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.1 IC1=NNC2=CC=CC=C21 YH12813 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.1 NC1=NSC2=C1C=CC=C2 LQ4347 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,0,0,1,0,0|1,0,1]=3 195 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,0,0,1,0,0|1,0,1]=3 196 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,0,0,1,0,0|1,0,1]=3 197 B11R2.1 N[C@H]1CCC2=CC=CN=C21 YH03814 [0,0,0,1,0,0|2,0,1]=4 198 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [0,0,0,1,0,0|0,0,2]=3 199 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [0,0,0,1,0,0|0,0,0]=1 200 B11R2.1 O=C1CCC2=CC=CN=C12 YH53701 [0,0,0,1,0,0|1,0,0]=2 201 B11R2.1 O=C1COC2=CC=CC=C12 LT6773 [0,0,0,1,0,0|1,0,0]=2 202 B11R2.1 O=C1NCC2=C1C=NC=C2 YH59390 [0,0,0,1,0,0|2,0,0]=3 203 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [0,0,0,1,0,0|1,0,0]=2 204 B11R2.1 O=C1NCC2=NC=CC=C12 YH59389 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.1 O=C1NN=C2C=CC=CN12 XJ3189 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.1 O=C1NOC2=CC=CC=C12 LQ4291 [0,0,0,1,0,0|2,0,0]=3 207 B11R2.1 O=C1NSC2=CC=CC=C12 RT10518 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [0,0,0,1,0,0|1,0,2]=4 209 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [0,0,0,1,0,0|1,1,1]=4 210 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [0,0,0,1,0,0|1,0,1]=3 211 B11R2.20 C1=CC2=C(C=C1)NCCN2 YH55994 [0,0,0,1,0,0|2,0,1]=4 212 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [0,0,0,1,0,0|3,0,0]=4 213 B11R2.20 C1=CC=C2C=CC=CC2=C1 HL4449 [0,0,0,1,0,0|1,0,2]=4 214 B11R2.20 C1=CC=C2N=CC=CC2=C1 LT2174 [0,0,0,1,0,0|1,0,2]=4 215 B11R2.20 C1=CC=C2N=CC=CC2=C1 RT9222 [0,0,0,1,0,0|1,0,2]=4 216 B11R2.20 C1=CC=C2N=CC=CC2=C1 XJ5007 [0,0,0,1,0,0|1,0,2]=4 217 B11R2.20 C1=CC=C2N=CN=CC2=C1 LQ0671 [0,0,0,1,0,0|2,0,1]=4 218 B11R2.20 C1=CC=C2OCCOC2=C1 LL0887 [0,0,0,1,0,0|1,0,2]=4 219 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.239 C1=CC=C(C2CNC2)C=C1 RT7923 [0,0,0,1,0,0|2,0,0]=3 224 B9R1.12 BrCCCN1C=CC=C1 YH20609 [0,0,0,0,1,0|2,0,1]=4 225 B9R1.12 CCCCC1=CSC=C1 CJ2145 [0,0,0,0,1,0|2,0,1]=4 226 B9R1.12 N#CCCN1C=CC=C1 LQ5106 [0,0,0,0,1,0|2,0,1]=4 227 B9R1.12 O=CSCC1=CC=CO1 LT5479 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.12 O=C\C=C\C1=CC=CO1 JZ1034 [0,0,0,0,1,0|1,0,2]=4 229 B8R0.4 CCC\C=C\C=C\C=O LT5073 [1,0,1,0,0,0|1,0,1]=4 230 B8R0.4 C\C=C\C=C/C=C/C=O RT17881 [1,0,1,0,0,0|0,0,2]=4 231 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,1]=3 237 B8R1.2 C=CC1=CC=CN=C1 RT7678 [2,0,0,0,0,0|1,0,1]=4 238 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,0]=3 240 B8R1.2 CNC1=CC=CN=C1 LT2493 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.2 COC1=CC=CN=C1 LT6817 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|1,0,1]=4 252 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|1,0,1]=4 253 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.2 O=CC1=CC=CN=C1 RT10183 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.2 O=CC1=CN=CN=C1 LX3173 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 O=CC1=NC=CC=N1 YH51306 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 O=CC1=NC=CN=C1 HL3002 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 O=CC1=NC=NC=C1 YH48930 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 O=CC1=NN=CC=C1 XJ5876 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|0,0,1]=3 270 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|1,0,1]=4 271 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|1,0,1]=4 272 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|1,0,1]=4 273 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|0,1,0]=3 274 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 275 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 276 B10R0.71 C\C=C\C=C\C=C/C=C/C=O RT17883 [0,1,1,0,0,0|0,0,2]=4 277 B10R1.1 Br\C=C\C1=CC=C(Br)C=C1 RT6387 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.1 CC1=CC=C(N=C=O)C=C1 LT3140 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 ClC1=CC=C(\C=C\Br)C=C1 RT6043 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.1 O=C=NC1=CC=C(F)C=C1 JZ4482 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|0,0,1]=3 307 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|0,0,1]=3 308 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|0,0,1]=3 309 B10R1.4 Br\C=C\C1=CC=CC=C1Br RT6046 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.4 CC1=CC=CC=C1N=C=O HL0189 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.4 CC1=NC=CC=C1CCO RT8739 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|0,0,1]=3 314 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,1,0,0,0,0|0,0,1]=3 324 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.4 NCCN1C=CC=CC1=O YH56675 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 XJ2468 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.4 O=C=NC1=C(F)C=CC=C1 LQ3980 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,1,0,0,0,0|0,0,0]=2 331 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,1,0,0,0,0|0,0,1]=3 332 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.10 CC1=CC(NC=O)=CC=C1 HL2478 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|0,0,1]=3 337 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,1,0,0,0,0|0,0,1]=3 347 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.10 O=C=NC1=CC(Br)=CC=C1 LQ4373 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.10 O=C=NC1=CC(F)=CC=C1 LQ0799 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.10 O=C=NC1=CC(I)=CC=C1 LQ4374 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.10 O=C=NC1=CC=CC(Cl)=C1 LT2914 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,1,0,0,0,0|0,0,1]=3 357 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [1,1,0,0,0,0|0,0,2]=4 360 B10R1.15 C1=CC=C(N([O-])N=O)C=C1 LT7153 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|0,0,0]=2 362 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,1,0,0,0,0|0,0,1]=3 373 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.18 BrC(Br)=CC1=CC=CC=C1 YH16676 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [1,1,0,0,0,0|1,1,0]=4 381 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,1,0,0,0,0|0,0,1]=3 387 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.18 N=C(N)NC1=CC=CC=C1 LQ3733 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.18 N=C(N)NC1=CC=CC=C1 YH65018 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [1,1,0,0,0,0|0,1,0]=3 395 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.18 O=C(O)CC1=CN=CN=C1 YH05329 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.18 S=C(Cl)CC1=CC=NC=C1 LT3199 [1,1,0,0,0,0|1,1,0]=4 406 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [1,1,0,0,0,0|1,1,0]=4 407 B10R1.66 CC(=O)OCC1=CC=CO1 LT5083 [0,1,0,0,1,0|2,0,0]=4 408 B10R1.66 CC(=O)SCC1=CC=CO1 LT5373 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.66 O=C(O)CCC1=CC=CS1 LQ2957 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.66 O=C(O)CCC1=CNC=N1 YH23866 [0,1,0,0,1,0|2,0,0]=4 411 B12R1.1 CCCCCC1=CC=C(Br)C=C1 LT0070 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.1 CCCCCC1=CC=C(O)C=C1 JZ4991 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.1 CCCCOC1=CC=C(N)C=C1 JZ2480 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.1 CCCCOC1=CC=C(O)C=C1 SY0106 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.1 OCCNCC1=CC=C(F)C=C1 LX3035 [0,2,0,0,0,0|0,0,2]=4 416 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 RT17651 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 JZ3824 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 LT4056 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 RT4716 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 LX2785 [0,2,0,0,0,0|0,0,2]=4 421 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 YH47867 [0,2,0,0,0,0|0,0,2]=4 422 B12R1.21 CC(N)CCC1=CC=C(O)C=C1 RT3075 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [0,2,0,0,0,0|0,0,2]=4 424 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 JZ4325 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 JZ2437 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [0,2,0,0,0,0|0,0,2]=4 427 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 HL1964 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 JZ1980 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HL0948 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 RT6283 [0,2,0,0,0,0|0,0,0]=2 431 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 RT16522 [0,2,0,0,0,0|0,0,0]=2 432 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 LT7384 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 LQ1962 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 RT11084 [0,2,0,0,0,0|0,0,2]=4 435 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 XJ1623 [0,2,0,0,0,0|0,0,2]=4 436 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 RT6457 [0,2,0,0,0,0|0,0,2]=4 437 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 LT2333 [0,2,0,0,0,0|0,0,2]=4 438 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 XJ0856 [0,2,0,0,0,0|0,0,2]=4 439 B12R1.21 O=C(O)\C=C\C1=CC=C(S)C=C1 RT13144 [0,2,0,0,0,0|0,0,2]=4 440 B12R1.49 CC1=CC=C(CC(C)C=O)C=C1 XJ5434 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 LT7646 [0,2,0,0,0,0|0,0,2]=4 442 B12R1.69 CCCCC1=CC=C(O)C=C1O LQ4153 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.69 O=CCCC1=CC=C(Cl)C=C1Cl RT6466 [0,2,0,0,0,0|0,0,0]=2 444 B12R1.69 OCCCC1=CC=C(O)C=C1O CJ2821 [0,2,0,0,0,0|0,0,2]=4 445 B12R1.71 C#CC1=CC=C(CCCC)C=C1 SY0304 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.71 CCCCC1=CC=C(C#N)C=C1 JZ5439 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.71 CCCCC1=CC=C(C=O)C=C1 XJ1625 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 RT3129 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.3 CNC(CCO)C1=CC=CC=C1 RT3227 [0,2,0,0,0,0|0,0,2]=4 450 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 RT0358 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 XJ0007 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 YH13662 [0,2,0,0,0,0|0,0,2]=4 453 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66650 [0,2,0,0,0,0|0,0,2]=4 454 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66666 [0,2,0,0,0,0|0,0,2]=4 455 B12R1.17 O=CCC(=O)C1=CC=CC(Br)=C1 RT12743 [0,2,0,0,0,0|0,0,1]=3 456 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 JZ0142 [0,2,0,0,0,0|0,0,2]=4 458 B12R1.30 CNCCC(O)C1=CC=CC=C1 LT3055 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 HL3244 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.34 C(C)(NC)[C@H](O)C1=CC=CC=C1 LT5056 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 LT4944 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 RT1894 [0,2,0,0,0,0|0,0,2]=4 463 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 YH02322 [0,2,0,0,0,0|0,0,2]=4 464 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,2,0,0,0,0|0,0,1]=3 465 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,2,0,0,0,0|0,0,2]=4 468 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [0,2,0,0,0,0|0,0,0]=2 469 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 JZ4501 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 LQ2460 [0,2,0,0,0,0|0,0,1]=3 471 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 HL0179 [0,2,0,0,0,0|1,0,1]=4 472 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [0,2,0,0,0,0|0,0,0]=2 474 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [0,2,0,0,0,0|0,0,0]=2 475 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HL0178 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [0,2,0,0,0,0|0,0,0]=2 477 B12R1.308 CC1=CC=CC=C1C(N)CCO RT12768 [0,2,0,0,0,0|0,0,2]=4 478 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 LQ4634 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.121 COC1=CC=CC=C1OCC=O RT11881 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,2,0,0,0,0|0,0,0]=2 484 B12R1.125 O=C(O)COC1=CC=CC=C1O LQ3078 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [0,2,0,0,0,0|0,0,2]=4 486 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [0,2,0,0,0,0|0,0,2]=4 487 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [0,2,0,0,0,0|0,0,2]=4 488 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.374 O=CCCC1=CC(Cl)=CC=C1Cl RT5982 [0,2,0,0,0,0|0,0,0]=2 490 B12R1.226 CC(=O)\C=C\C1=CC=CC(O)=C1 RT12436 [0,2,0,0,0,0|0,0,2]=4 491 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 HL0979 [0,2,0,0,0,0|0,0,0]=2 492 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 JZ3977 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 CJ2730 [0,2,0,0,0,0|0,0,0]=2 494 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 HL1832 [0,2,0,0,0,0|0,0,0]=2 495 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 XJ5126 [0,2,0,0,0,0|0,0,2]=4 496 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 HL1833 [0,2,0,0,0,0|0,0,2]=4 497 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 JZ5420 [0,2,0,0,0,0|0,0,2]=4 498 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 YH35497 [0,2,0,0,0,0|0,0,2]=4 499 B12R1.8 BrCCCOCC1=CC=CC=C1 YH06316 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.8 CCCCCCC1=CC=CC=C1 JZ4393 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.8 CCCCOCC1=CC=CC=C1 HL0050 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.8 ClCCCCOC1=CC=CC=C1 JZ2126 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.8 N#CCCNCC1=CC=CC=C1 JZ4132 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.8 O=CCCOCC1=CC=CC=C1 RT12413 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.8 O=COC\C=C\C1=CC=CC=C1 XJ0283 [0,2,0,0,0,0|0,0,1]=3 506 B12R1.8 OCCCOCC1=CC=CC=C1 JZ2614 [0,2,0,0,0,0|0,0,2]=4 507 B12R1.8 S=C=NCCCC1=CC=CC=C1 JZ2090 [0,2,0,0,0,0|0,1,1]=4 508 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 YH10507 [0,2,0,0,0,0|0,0,1]=3 509 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 JZ3727 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HL2281 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.27 COC(=O)CCC1=CC=CN=C1 XJ6488 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.27 COC(=O)OCC1=CC=CC=C1 RT11038 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.27 NCC(=O)OCC1=CC=CC=C1 JZ4757 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.27 NCC(=O)OCC1=CC=CC=C1 RT5531 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.27 NNC(=O)CCC1=CN=CC=C1 YH54209 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.27 O=C(C#CC1=CC=CC=C1)CCl RT12399 [0,2,0,0,0,0|0,0,2]=4 518 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 YH49901 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 XJ0546 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.27 O=C(CO)OCC1=CC=CC=C1 RT12484 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.27 O=C(COC1=CC=CC=C1)O[Na] JZ0339 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.27 OCC(O)COC1=CC=CC=C1 LT3080 [0,2,0,0,0,0|0,0,2]=4 523 B12R1.32 C#CCN(C)CC1=CC=CC=C1 JZ0623 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [0,2,0,0,0,0|0,0,2]=4 526 B12R1.252 CC(=O)OCCC1=CC=CC=C1 LL0321 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.252 CC(=O)SCCC1=NC=CC=C1 RT10486 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [0,2,0,0,0,0|0,0,2]=4 529 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [0,2,0,0,0,0|0,0,2]=4 530 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 RT12380 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.252 NC(=S)NCCC1=CC=CC=C1 LQ3182 [0,2,0,0,0,0|0,1,0]=3 532 B12R1.252 O=C(O)CCCC1=CC=CC=C1 RT12403 [0,2,0,0,0,0|0,0,0]=2 533 B12R1.252 O=C(O)CCCC1=NC=CC=C1 YH65623 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [0,2,0,0,0,0|0,0,0]=2 536 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [0,2,0,0,0,0|0,0,0]=2 537 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 LQ2010 [0,2,0,0,0,0|0,0,1]=3 538 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [0,2,0,0,0,0|0,0,1]=3 539 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [0,2,0,0,0,0|0,0,1]=3 540 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O HL0609 [0,2,0,0,0,0|0,0,0]=2 541 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl XJ0460 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O YH66331 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 JZ2645 [0,2,0,0,0,0|0,0,0]=2 544 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 RT6536 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.43 NC(CC1=CC=CC=C1)C(=O)[O-] YH66172 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O JZ1067 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O LT4754 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O JZ1066 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [0,2,0,0,0,0|0,0,2]=4 550 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 YH38554 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 JZ4215 [0,2,0,0,0,0|0,0,0]=2 552 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 YH65812 [0,2,0,0,0,0|0,0,0]=2 553 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 LQ3258 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [0,2,0,0,0,0|0,0,2]=4 555 B12R1.43 [C@@H](N)(CC1=CC=CN=C1)C(=O)O JZ1068 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.43 [C@@H](N)(CC1=CC=NC=C1)C(=O)O XJ5319 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.43 [C@H](N)(CC1=CC=CN=C1)C(=O)O JZ1594 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O XJ5318 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.118 N#CC(C#N)CC1=CC=CC=C1 HL2043 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.194 CC(C)(CC1=CC=CC=C1)NO RT3121 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 XJ3854 [0,2,0,0,0,0|0,0,2]=4 562 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 RT3481 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.891 CS(=O)(=S)OCC1=CC=CC=C1 RT12102 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 YH59505 [0,2,0,0,0,0|1,0,0]=3 565 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|1,0,0]=3 566 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|0,0,1]=3 567 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|0,0,1]=3 568 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|1,0,1]=4 569 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|1,0,1]=4 570 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|1,0,1]=4 571 B10R2.7 C1=CC2=C(C=C1)SC=C2 LT0724 [1,0,0,1,0,0|0,1,1]=4 572 B10R2.7 C1=CC2=NCCN2C=C1 RT2480 [1,0,0,1,0,0|2,0,0]=4 573 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|0,0,1]=3 574 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|1,0,0]=3 575 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|2,0,0]=4 576 B10R2.7 C1=CC=C2OC=NC2=C1 LL0609 [1,0,0,1,0,0|1,0,1]=4 577 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|0,0,1]=3 578 B10R2.7 C1=CC=C2SC=CC2=C1 JZ3503 [1,0,0,1,0,0|0,1,1]=4 579 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [1,0,0,1,0,0|1,0,1]=4 580 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [1,0,0,1,0,0|1,0,1]=4 581 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|0,0,0]=2 582 B12R2.24 BrC1=CC2=C(C=C1)CCC=C2 CJ2974 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 YH46471 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.24 BrC1=CC=C2CCNCC2=C1 YH40784 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.24 CC1=CC2=C(C=C1)NCCC2 XJ0199 [0,1,0,1,0,0|1,0,1]=4 586 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.24 FC1=CC2=C(C=C1)OCCC2 RT8167 [0,1,0,1,0,0|0,0,2]=4 588 B12R2.24 NC1=CC2=C(C=C1)CCCN2 LT1147 [0,1,0,1,0,0|1,0,1]=4 589 B12R2.24 NC1=CC2=C(C=C1)CNCC2 YH15702 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.24 NC1=CC=C2CCCNC2=C1 YH36668 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,1,0,1,0,0|1,0,1]=4 594 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,1,0,1,0,0|1,0,1]=4 595 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [0,1,0,1,0,0|0,0,2]=4 596 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [0,1,0,1,0,0|0,0,2]=4 597 B12R2.24 O=C1C=NC2=CC=CC=C2N1 LT2094 [0,1,0,1,0,0|1,0,1]=4 598 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [0,1,0,1,0,0|1,0,0]=3 601 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [0,1,0,1,0,0|1,0,1]=4 602 B12R2.24 OC1=CC2=C(C=C1)CCCC2 LT3595 [0,1,0,1,0,0|1,0,1]=4 603 B12R2.24 OC1=CC2=C(C=C1)CCCO2 CJ2931 [0,1,0,1,0,0|0,0,2]=4 604 B12R2.24 OC1=CC2=C(C=C1)OCCC2 CJ2929 [0,1,0,1,0,0|0,0,2]=4 605 B12R2.24 OC1=CC=C2CCCNC2=C1 YH08365 [0,1,0,1,0,0|1,0,1]=4 606 B12R2.24 OC1=CC=C2NCCCC2=C1 LT6061 [0,1,0,1,0,0|1,0,1]=4 607 B12R2.79 NC1CC1C2=CC=C(F)C=C2 RT3576 [0,1,0,1,0,0|1,0,1]=4 608 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 RT3436 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 LQ4410 [0,1,0,1,0,0|0,0,0]=2 610 B12R2.132 NC1CCC2=CC=C(Br)C=C21 YH94710 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 RT1823 [0,1,0,1,0,0|1,0,1]=4 612 B12R2.132 N[C@@H]1CCC2=CC=C(F)C=C21 YH19003 [0,1,0,1,0,0|1,0,1]=4 613 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 LQ3761 [0,1,0,1,0,0|0,0,0]=2 614 B12R2.132 O=C1CCC2=CC=C(F)C=C12 HL0875 [0,1,0,1,0,0|0,0,0]=2 615 B12R2.132 O=C1CCC2=CC=C(O)C=C12 XJ5989 [0,1,0,1,0,0|0,0,0]=2 616 B12R2.132 O=C1NCC2=C1C=C(S)C=C2 YH65675 [0,1,0,1,0,0|1,0,0]=3 617 B12R2.132 O=C1NSC2=C1C=C(Cl)C=C2 RT15601 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 XJ4519 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 RT9917 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 RT9918 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 RT9556 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [0,1,0,1,0,0|1,0,1]=4 623 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [0,1,0,1,0,0|0,0,2]=4 624 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [0,1,0,1,0,0|1,0,1]=4 625 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.2 C1=CC=C(N2CCCC2)C=C1 XJ2611 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [0,1,0,1,0,0|1,0,1]=4 629 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.2 C1=CN=CC(C2CCC=N2)=C1 RT14595 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [0,1,0,1,0,0|0,0,0]=2 632 B12R2.116 CC1(C2=CC=CC=C2)CNC1 RT9865 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.1081 BrC1=CC=CC2=C1CCNC2 YH19833 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [0,1,0,1,0,0|1,0,1]=4 635 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [0,1,0,1,0,0|1,0,1]=4 636 B12R2.1081 NC1=C2CCCCC2=CC=C1 XJ2066 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY0077 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.1081 NC1=CC=CC2=C1NCCC2 LT1041 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.1081 NC1CCNC2=CC=CC=C21 YH65897 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [0,1,0,1,0,0|1,0,1]=4 643 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [0,1,0,1,0,0|0,0,2]=4 645 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,1,0,1,0,0|0,0,0]=2 646 B12R2.1081 O=C1CCCC2=CC=CN=C12 LX2062 [0,1,0,1,0,0|1,0,0]=3 647 B12R2.1081 O=C1CCCC2=CC=NC=C12 YH46803 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.1081 O=C1CCCC2=CN=CC=C12 YH46802 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.1081 O=C1CCCC2=NC=CC=C12 YH05749 [0,1,0,1,0,0|1,0,0]=3 650 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [0,1,0,1,0,0|0,0,0]=2 651 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,1,0,1,0,0|0,0,0]=2 652 B12R2.1081 O=C1NN=NC2=CC=CC=C12 XJ0164 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,1,0,1,0,0|0,0,0]=2 654 B12R2.1081 OC1=CC=CC2=C1CC=CC2 XJ4966 [0,1,0,1,0,0|1,0,1]=4 655 B12R2.1081 OC1=CC=CC2=C1CNCC2 RT7770 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [0,1,0,1,0,0|0,0,2]=4 657 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [0,1,0,1,0,0|0,0,2]=4 658 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 JZ1733 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 LQ0154 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 XJ5075 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,1,0,1,0,0|1,0,0]=3 663 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 YH23871 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.32 ICC1CC2=CC=CC=C2O1 RT9864 [0,1,0,1,0,0|1,0,1]=4 666 B12R2.32 O=CC1=CC2=CC=CC=C2S1 JZ2317 [0,1,0,1,0,0|0,0,2]=4 667 B12R2.32 O=CC1CC2=CC=CC=C2O1 LQ2632 [0,1,0,1,0,0|0,0,0]=2 668 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 LQ4415 [0,1,0,1,0,0|0,0,0]=2 669 B12R2.196 NC1CCC2=C1C=CC=C2F YH35733 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CJ2785 [0,1,0,1,0,0|0,0,0]=2 671 B12R2.196 O=C1CCC2=C1C=CC=C2Cl XJ4153 [0,1,0,1,0,0|0,0,0]=2 672 B12R2.196 O=C1CCC2=C1C=CC=C2O LQ5074 [0,1,0,1,0,0|0,0,0]=2 673 B12R2.196 O=C1NCC2=C1C=CC=C2Br YH55335 [0,1,0,1,0,0|1,0,0]=3 674 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 YH21568 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 LX3278 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 LX2203 [0,1,0,1,0,0|0,0,0]=2 677 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29451 [0,1,0,1,0,0|0,0,0]=2 678 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29819 [0,1,0,1,0,0|0,0,0]=2 679 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 YH56099 [0,1,0,1,0,0|0,0,0]=2 680 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 YH66130 [0,1,0,1,0,0|0,0,0]=2 681 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 XJ3186 [0,1,0,1,0,0|0,0,0]=2 682 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,1,0,1,0,0|0,0,0]=2 683 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 LQ2490 [0,1,0,1,0,0|0,0,0]=2 684 B12R2.612 NC1CCC2=CC(Br)=CC=C21 YH97266 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 LQ2487 [0,1,0,1,0,0|0,0,0]=2 686 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 XJ5153 [0,1,0,1,0,0|0,0,0]=2 687 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 YH01019 [0,1,0,1,0,0|0,0,0]=2 688 B12R2.612 O=C1CCC2=CC(F)=CC=C12 JZ4104 [0,1,0,1,0,0|0,0,0]=2 689 B12R2.612 O=C1COC2=CC(Br)=CC=C12 YH44457 [0,1,0,1,0,0|1,0,0]=3 690 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 XJ2407 [0,1,0,1,0,0|1,0,0]=3 691 B12R2.612 O=C1NCC2=NC(Cl)=CC=C12 YH66320 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.612 O=C1NSC2=CC(F)=CC=C12 HL3634 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 RT9560 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 RT9559 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.1 O=CC1=CNC2=C1C=CC=C2 LT2996 [0,1,0,1,0,0|0,0,2]=4 696 B12R2.1 O=CC1=CSC2=CC=CC=C12 YH05980 [0,1,0,1,0,0|0,0,2]=4 697 B12R2.1 O=CC1=NNC2=CC=CC=C21 LQ2784 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 LT4982 [0,1,0,1,0,0|0,0,2]=4 699 B12R2.18 CC1CC2=C(C=CC=C2)N1N HL3135 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.18 CC1CC2=C(C=CC=C2)N1N LQ4728 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,1,0,1,0,0|0,0,0]=2 702 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O JZ4790 [0,1,0,1,0,0|1,0,1]=4 703 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O YH32938 [0,1,0,1,0,0|1,0,1]=4 704 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O LT4572 [0,1,0,1,0,0|1,0,1]=4 705 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,1,0,1,0,0|0,0,0]=2 706 B12R2.18 O=C1NC2=CC=CC=C2C1=O JZ1575 [0,1,0,1,0,0|1,0,1]=4 707 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,1,0,1,0,0|0,0,2]=4 708 B12R2.92 CC1(C)CC1C2=CC=CC=C2 LQ3308 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [0,1,0,1,0,0|0,0,0]=2 710 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [0,0,0,2,0,0|0,0,2]=4 711 B8R1.8 OCCC1=CC=CS1 LT0210 [1,0,0,0,1,0|1,0,1]=4