0 B11R1.17 C=CCOC1=CC=CC=C1O HL0688 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.17 COCCC1=CC=CC=C1O RT11073 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.17 FCCSC1=CC=CC=C1Br LT1460 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.17 NCCOC1=CC=CC=C1O RT2926 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl HL3476 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl XJ1942 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.4 CC1=NC=CC=C1CCO RT8739 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [1,0,0,0,0,0|1,1,0]=3 10 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [1,0,0,0,0,0|1,1,0]=3 12 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCOC1=CC=CN=C1Br YH94023 [1,0,0,0,0,0|2,1,0]=4 14 B10R1.4 CCOC1=CC=CN=C1N YH20158 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCOC1=NC=CC=C1I LT3940 [1,0,0,0,0,0|2,1,0]=4 16 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [1,0,0,0,0,0|0,1,2]=4 17 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [1,0,0,0,0,0|0,1,2]=4 18 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [1,0,0,0,0,0|0,1,2]=4 19 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [1,0,0,0,0,0|0,1,2]=4 20 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,0,0,0,0,0|0,1,0]=2 23 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 NCCN1C=CC=CC1=O YH56675 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 XJ2468 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,0,0,0,0,0|1,1,1]=4 29 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.4 S=C=NC1=CC=CC=C1Cl XJ2293 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.25 CCCOC1=CC=CC(F)=C1F LL2027 [0,1,0,0,0,0|2,1,0]=4 65 B12R1.69 CCCCC1=CC=C(O)C=C1O LQ4153 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.69 O=CCCC1=CC=C(Cl)C=C1Cl RT6466 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.69 OCCCC1=CC=C(O)C=C1O CJ2821 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.121 CCCOC1=C(C=O)C=CC=C1 YH15035 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.125 CC(=O)CSC1=CC=CC=C1Cl RT13133 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,1,0,0,0,0|2,1,0]=4 72 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.267 CCO\C=C\C1=CC=CC=C1Cl RT6428 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.308 CC1=CC=CC=C1C(N)CCO RT12768 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl JZ2444 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.374 CCNCC1=CC(N)=CC=C1O RT3657 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.374 O=CCCC1=CC(Cl)=CC=C1Cl RT5982 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.71 CCCCC\C=C\C=C\C=O LQ2138 [0,0,1,0,0,0|2,0,1]=4 81 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)N1 LT1109 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)N1 LT1108 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.32 ICC1CC2=CC=CC=C2O1 RT9864 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.32 O=CC1CC2=CC=CC=C2O1 LQ2632 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.41 C1=CC=C2CCNCCC2=C1 XJ2659 [0,0,0,1,0,0|1,0,0]=2 92 B12R2.41 C1=CC=C2NCCNCC2=C1 LQ2968 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 LQ4415 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.196 CC1=CSC2=C(Cl)C=CC=C12 RT10476 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.196 CN1C=NC2=C(N)C=CC=C21 LT1578 [0,0,0,1,0,0|2,0,1]=4 96 B12R2.196 NC1CCC2=C1C=CC=C2F YH35733 [0,0,0,1,0,0|2,1,0]=4 97 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CJ2785 [0,0,0,1,0,0|2,1,0]=4 98 B12R2.196 O=C1CCC2=C1C=CC=C2Cl XJ4153 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.196 O=C1CCC2=C1C=CC=C2O LQ5074 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.1081 BrC1=CC=CC2=C1CCNC2 YH19833 [0,0,0,1,0,0|0,1,0]=2 101 B12R2.1081 NC1=C2CCCCC2=CC=C1 XJ2066 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY0077 [0,0,0,1,0,0|1,0,0]=2 103 B12R2.1081 NC1=CC=CC2=C1NCCC2 LT1041 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.1081 NC1=CN=CC2=C1CCCC2 RT1534 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.1081 OC1=CC=CC2=C1CC=CC2 XJ4966 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.1081 OC1=CC=CC2=C1CNCC2 RT7770 [0,0,0,1,0,0|3,0,0]=4 107 B9R0.15 C=C\C=C(/CCC)C(=O)O RT16956 [1,0,1,0,0,0|2,0,0]=4 108 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [2,0,0,0,0,0|1,0,0]=3 109 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.8 CCCC1=CC=NC=C1 LT3807 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.8 CCOC1=NC=CC=C1 LT1993 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 CNCC1=CC=CC=C1 RT3204 [2,0,0,0,0,0|0,0,0]=2 116 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.8 COCC1=CC=CN=C1 LQ5401 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [2,0,0,0,0,0|0,0,2]=4 120 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [2,0,0,0,0,0|0,0,2]=4 121 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [2,0,0,0,0,0|1,0,0]=3 125 B9R1.8 NCCC1=CC=NC=C1 YH11719 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.8 NNCC1=CC=CC=C1 LX3048 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.8 NOCC1=CC=CC=C1 LT5864 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [2,0,0,0,0,0|1,0,1]=4 130 B9R1.8 OCCC1=CC=CC=C1 YH43593 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.8 SCCC1=CC=NC=C1 RT10479 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 SCCC1=NC=CC=C1 RT10478 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [2,0,0,0,0,0|1,1,0]=4 135 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [2,0,0,0,0,0|1,1,0]=4 136 B9R1.15 C#CC1=C(Cl)C=CC=C1 XJ1422 [2,0,0,0,0,0|0,0,2]=4 137 B9R1.15 C(=O)C1=C(Cl)C=CC=C1 XJ0153 [2,0,0,0,0,0|1,0,1]=4 138 B9R1.15 CC1=CC=CC=C1CN XJ0151 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.15 CC1=CC=CN=C1CN LT3920 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [2,0,0,0,0,0|0,1,0]=3 141 B9R1.15 CCC1=C(Br)C=NC=C1 LQ4988 [2,0,0,0,0,0|1,1,0]=4 142 B9R1.15 CCC1=C(C)C=CN=C1 LQ0971 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.15 CCC1=C(F)N=CC=C1 LT3213 [2,0,0,0,0,0|1,1,0]=4 144 B9R1.15 CCC1=CC=CC=C1F RT10529 [2,0,0,0,0,0|0,1,0]=3 145 B9R1.15 CCC1=CC=CC=C1I XJ4411 [2,0,0,0,0,0|0,1,0]=3 146 B9R1.15 CCC1=CC=CC=C1S LT1736 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.15 CCC1=CC=CC=[N+]1[O-] LT3942 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 CCC1=CC=CN=C1N RT2490 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 CCC1=NC=CN=C1Cl YH11312 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 CC[N+]1=CC=CC=C1Br HL0484 [2,0,0,0,0,0|1,1,0]=4 151 B9R1.15 CNC1=C(F)C=CC=C1 RT3629 [2,0,0,0,0,0|0,1,0]=3 152 B9R1.15 CNC1=CC=CC=C1C XJ1117 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.15 COC1=C(Br)C=CC=C1 LT0298 [2,0,0,0,0,0|1,1,0]=4 154 B9R1.15 COC1=C(F)C=CC=C1 LT6544 [2,0,0,0,0,0|1,1,0]=4 155 B9R1.15 COC1=CC=CC=C1O LT7681 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 COC1=CC=CN=C1Cl XJ5647 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 CSC1=C(Cl)C=CC=C1 JZ5186 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.15 CSC1=C(F)C=CC=C1 XJ1257 [2,0,0,0,0,0|1,1,0]=4 159 B9R1.15 CSC1=CC=CC=C1C JZ4854 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 CSC1=CC=CC=C1I LQ4804 [2,0,0,0,0,0|1,1,0]=4 161 B9R1.15 CSC1=CC=CC=C1O JZ4356 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [2,0,0,0,0,0|1,1,0]=4 164 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [2,0,0,0,0,0|1,1,0]=4 165 B9R1.15 FC1=CC=CC=C1CBr RT11192 [2,0,0,0,0,0|1,1,0]=4 166 B9R1.15 N#CC1=C(Cl)C=CC=C1 CJ2994 [2,0,0,0,0,0|0,0,2]=4 167 B9R1.15 NC1=CC=CC=C1CO LT2291 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [2,0,0,0,0,0|0,1,0]=3 169 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.15 NCC1=CC=CC=C1Br LT0305 [2,0,0,0,0,0|0,1,0]=3 172 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [2,0,0,0,0,0|0,0,0]=2 173 B9R1.15 NCC1=CC=CN=C1Cl YH66504 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.15 NCC1=CC=CNC1=O RT2213 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.15 NNC1=C(F)C=CC=C1 JZ2154 [2,0,0,0,0,0|1,1,0]=4 176 B9R1.15 NNC1=CC=CC=C1Br XJ5550 [2,0,0,0,0,0|1,1,0]=4 177 B9R1.15 NNC1=CC=CC=C1F LT1512 [2,0,0,0,0,0|1,1,0]=4 178 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.15 OCC1=C(Cl)C=CN=C1 HL3791 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [2,0,0,0,0,0|1,1,0]=4 181 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [2,0,0,0,0,0|1,1,0]=4 182 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [2,0,0,0,0,0|1,1,0]=4 183 B9R1.15 OCC1=CC=NC=C1Cl YH65905 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [2,0,0,0,0,0|1,0,0]=3 185 B11R1.41 CCOC1=C(OC)C=CC=C1 YH65716 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.41 CCOC1=CC=CC=C1CO XJ6252 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.41 O=CC1=C(CCBr)C=CC=C1 YH47917 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.81 CCCC1=C(O)C=C(O)C=C1 LQ4152 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 XJ2915 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.81 ClC1=CC(Br)=CC=C1CCI RT1162 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.81 N#CCC1=CC=C(F)C=C1Cl XJ6342 [1,1,0,0,0,0|0,0,2]=4 192 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl XJ5608 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.81 OCCC1=CC=C(Br)C=C1Cl RT1161 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [1,1,0,0,0,0|0,1,1]=4 195 B11R1.86 CC(=O)NC1=CC=CC=C1Cl LL0941 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.86 CC(C)OC1=C(O)C=CC=C1 JZ2617 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.86 CC(C)OC1=CC=CC=C1Br JZ4107 [1,1,0,0,0,0|1,1,0]=4 198 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [1,1,0,0,0,0|0,1,0]=3 199 B11R1.86 NC(=S)NC1=CC=CC=C1Cl XJ2860 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 LL2065 [1,1,0,0,0,0|1,1,0]=4 202 B11R1.182 CCOC1=CC(Cl)=CC=C1I LT3170 [1,1,0,0,0,0|1,1,0]=4 203 B11R1.182 CCOC1=CC(N)=CC=C1Br LL2988 [1,1,0,0,0,0|1,1,0]=4 204 B11R1.182 NC1=CC=C(N)C(CCO)=C1 YH96767 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl YH42571 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [1,1,0,0,0,0|0,1,1]=4 207 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [1,1,0,0,0,0|0,1,1]=4 210 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [1,1,0,0,0,0|0,0,1]=3 211 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [1,1,0,0,0,0|0,1,1]=4 212 B11R1.222 NCC(O)C1=CC=CC=C1F JZ2275 [1,1,0,0,0,0|0,1,0]=3 213 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.605 OCCC1=C(F)C=CC=C1Cl LL2609 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.1 C(=O)CCC1=CC=C(Cl)C=C1 YH17360 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.1 ClC1=CC=C(CCCBr)C=C1 CJ2951 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.1 OCCCC1=CC=C(Br)C=C1 XJ4838 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.16 N#CCC(O)C1=CC=CC=C1 RT6095 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.24 COCCC1=CC(O)=CC=C1 RT10599 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [1,1,0,0,0,0|0,0,1]=3 244 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [1,1,0,0,0,0|0,0,2]=4 253 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [1,1,0,0,0,0|0,0,2]=4 262 B11R1.40 CNC(C)CC1=CC=CN=C1 RT1972 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [1,1,0,0,0,0|2,0,0]=4 274 B13R1.12 CNC[C@H](O)C1=CC=CC(O)=C1Br RT1880 [0,2,0,0,0,0|0,1,0]=3 275 B13R1.150 O=C(O)CCC1=C(Cl)C(Cl)=CC=C1 YH08227 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.369 CCCCCC1=CC=C(C)C=C1O LT4882 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.91 CNC(C)CC1=C(OC)C=CC=C1 YH07135 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.201 CC(C)CC(N)C1=CC=CC=C1N RT3355 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O JZ1021 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O JZ1020 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 LX2950 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.446 CNCC(O)C1=CC(O)=CC=C1Br RT3619 [0,2,0,0,0,0|0,1,0]=3 283 B13R1.446 CNC[C@H](O)C1=CC(O)=CC=C1Br RT1881 [0,2,0,0,0,0|0,1,0]=3 284 B13R1.696 COC(=O)C(Cl)C1=CC=CC=C1Cl HL4863 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.696 COC(=O)C(N)C1=CC=CC=C1Cl LT5783 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.696 COC(=O)C(O)C1=CC=CC=C1Cl RT7331 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.696 COC(=O)C(O)C1=CC=CC=C1Cl YH54370 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.696 COC(=O)[C@@H](N)C1=C(Cl)C=CC=C1 LL2195 [0,2,0,0,0,0|1,0,1]=4 289 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 LT1106 [1,0,0,1,0,0|1,0,0]=3 290 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 LT1107 [1,0,0,1,0,0|1,0,0]=3 291 B11R2.10 NC1CC2=C(C=CC=C2)C1 HL2236 [1,0,0,1,0,0|1,0,0]=3 292 B11R2.10 NC1CC2=CC=CC=C2C1 XJ2313 [1,0,0,1,0,0|1,0,0]=3 293 B11R2.10 OC1CC2=CC=CC=C2C1 JZ0698 [1,0,0,1,0,0|2,0,0]=4 294 B11R2.20 C1=CC2=C(C=C1)NCCN2 YH55994 [1,0,0,1,0,0|2,0,0]=4 295 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [1,0,0,1,0,0|2,0,0]=4 296 B11R2.20 C1=CC=C2OCCOC2=C1 LL0887 [1,0,0,1,0,0|2,0,0]=4 297 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [1,0,0,1,0,0|2,0,0]=4 298 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [1,0,0,1,0,0|2,0,0]=4 299 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [1,0,0,1,0,0|2,0,0]=4 300 B11R2.55 ClC1=CC=CC=C1C2CO2 RT7261 [1,0,0,1,0,0|1,0,0]=3 301 B11R2.55 OC1=CC=CC=C1C2CO2 RT7911 [1,0,0,1,0,0|2,0,0]=4 302 B11R2.106 BrC1=CC=CC2=C1CCO2 RT9936 [1,0,0,1,0,0|1,1,0]=4 303 B11R2.106 ClC1=C2C=CNC2=CC=C1 JZ5661 [1,0,0,1,0,0|0,0,2]=4 304 B11R2.106 FC1=CC=CC2=C1CCN2 YH65847 [1,0,0,1,0,0|0,1,0]=3 305 B11R2.106 OC1=C2CCOC2=CC=C1 YH34935 [1,0,0,1,0,0|2,0,0]=4 306 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,1,0,0|1,0,1]=4 307 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [1,0,0,1,0,0|0,0,2]=4 309 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [1,0,0,1,0,0|0,0,0]=2 310 B11R2.1 CN1N=CC2=C1C=CC=C2 XJ3909 [1,0,0,1,0,0|1,0,1]=4 311 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [1,0,0,1,0,0|2,0,0]=4 312 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [1,0,0,1,0,0|2,0,0]=4 313 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [1,0,0,1,0,0|2,0,0]=4 314 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,1,0,0|2,0,0]=4 315 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [1,0,0,1,0,0|2,0,0]=4 316 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [1,0,0,1,0,0|2,0,0]=4 317 B11R2.239 C1=CC=C(C2CNC2)C=C1 RT7923 [1,0,0,1,0,0|0,0,0]=2 318 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O XJ1811 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.32 OC1=C(Br)C2=C(C=C1)CNCC2 YH65455 [0,1,0,1,0,0|0,1,0]=3 320 B13R2.54 CCC1=CC2=C(C1)C(Cl)=CC=C2 YH02542 [0,1,0,1,0,0|1,0,1]=4 321 B13R2.162 NC1=C2CC(O)CCC2=CC=C1 YH10651 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.3022 ClC1=C(Cl)C(C2CCN2)=CC=C1 RT9937 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O LX2212 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.222 CC1(C)CCC2=CC=CC=C2N1 YH65401 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.3587 CC1=CC=CC=C1OCC2CO2 JZ1952 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.18 ClC1=C(C2CCCN2)C=CC=C1 YH31189 [0,1,0,1,0,0|1,0,0]=3 327 B13R2.18 FC1=C(C2CCCN2)C=CC=C1 LX2389 [0,1,0,1,0,0|1,1,0]=4 328 B13R2.18 OC1=CC=CC=C1C2CCCC2 RT12371 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.342 O=C1NCCC2=C(O)C=CC=C12 YH07394 [0,1,0,1,0,0|1,0,1]=4 330 B13R2.342 OC1CCCC2=C1C=CC=C2Br YH95827 [0,1,0,1,0,0|1,1,0]=4 331 B13R2.4825 CC1CC2=C(C=CC=C2Cl)C1=O YH65760 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.371 FC1=CC=C(F)C2=C1CCNC2 YH66612 [0,1,0,1,0,0|0,1,0]=3 333 B9R1.12 CCCCC1=CSC=C1 CJ2145 [1,0,0,0,1,0|2,0,0]=4 334 B9R1.12 CNCCC1=CNC=N1 HL0326 [1,0,0,0,1,0|2,0,0]=4