0 B10R1.4 Br\C=C\C1=CC=CC=C1Br RT6046 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.4 CC1=CC=CC=C1N=C=O HL0189 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.4 CC1=CC=CC=C1N=C=S HL0190 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.4 CC1=NC=CC=C1CC#N RT8737 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.4 CC1=NC=CC=C1CCO RT8739 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.4 CCOC1=CC=CN=C1Br YH94023 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.4 CCOC1=CC=CN=C1N YH20158 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.4 CCOC1=NC=CC=C1I LT3940 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [0,0,0,0,0,0|1,0,2]=3 16 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.4 NC1=CC=CC=C1CCO YH05747 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.4 NCCC1=CC=CC=C1O RT6527 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.4 NCCN1C=CC=CC1=O YH56675 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 XJ2468 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.4 O=C=NC1=C(F)C=CC=C1 LQ3980 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.4 S=C=NC1=CC=CC=C1Cl XJ2293 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CCOC1=NC=CC=C1 LT1993 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 NCCC1=CC=NC=C1 YH11719 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 SCCC1=CC=NC=C1 RT10479 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 SCCC1=NC=CC=C1 RT10478 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.15 BrCC1=C(Br)C=CC=C1 LT0304 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 BrCC1=C(I)C=CC=C1 LQ5027 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.15 C#CC1=C(Br)C=CC=C1 SY0117 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.15 C#CC1=C(Cl)C=CC=C1 XJ1422 [1,0,0,0,0,0|1,0,2]=4 73 B9R1.15 C#CC1=C(F)C=CC=C1 SY0296 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.15 C#CC1=CC=CC=C1C SY0118 [1,0,0,0,0,0|0,0,2]=3 75 B9R1.15 C#CC1=CC=CC=C1N XJ5657 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.15 C(=O)C1=C(Cl)C=CC=C1 XJ0153 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.15 C(=O)C1=C(F)C=CC=C1 LT6545 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.15 C=CC1=C(Br)C=CC=C1 XJ2039 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.15 C=CC1=C(F)C=CC=C1 HL1763 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.15 C=CC1=CC=CC=C1C XJ1115 [1,0,0,0,0,0|0,0,2]=3 81 B9R1.15 C=CC1=CC=CC=C1O RT11656 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.15 CC1=C(C#N)C=CC=C1 LQ0969 [1,0,0,0,0,0|0,0,2]=3 83 B9R1.15 CC1=C(C#N)C=CN=C1 RT15452 [1,0,0,0,0,0|1,0,2]=4 84 B9R1.15 CC1=C(C#N)C=NC=C1 LQ2868 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.15 CC1=C(C=O)C=CC=N1 YH09284 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.15 CC1=CC=CC=C1C=O LQ0970 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.15 CC1=CC=CC=C1CN XJ0151 [1,0,0,0,0,0|0,0,0]=1 88 B9R1.15 CC1=CC=CN=C1C=O LX3316 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.15 CC1=CC=CN=C1CN LT3920 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.15 CC1=CN=CN=C1CN RT2792 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.15 CC1=NC=CC=C1CCl RT8738 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.15 CCC1=C(Br)C=CC=C1 JZ1837 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.15 CCC1=C(Br)C=NC=C1 LQ4988 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.15 CCC1=C(C)C=CN=C1 LQ0971 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.15 CCC1=C(F)C=NC=N1 YH33319 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 CCC1=C(F)N=CC=C1 LT3213 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.15 CCC1=CC=CC=C1F RT10529 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.15 CCC1=CC=CC=C1I XJ4411 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.15 CCC1=CC=CC=C1S LT1736 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.15 CCC1=CC=CC=[N+]1[O-] LT3942 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.15 CCC1=CC=CN=C1N RT2490 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 CCC1=NC=CN=C1C JZ1026 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.15 CCC1=NC=CN=C1Cl YH11312 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 CC[N+]1=CC=CC=C1Br HL0484 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.15 CNC1=C(F)C=CC=C1 RT3629 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.15 CNC1=CC=CC=C1C XJ1117 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.15 COC1=C(Br)C=CC=C1 LT0298 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.15 COC1=C(F)C=CC=C1 LT6544 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.15 COC1=C(I)C=CC=N1 XJ6838 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 COC1=C(N)C=NC=C1 YH55284 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.15 COC1=CC=CC=C1O LT7681 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.15 COC1=CC=CN=C1Br XJ4798 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.15 COC1=CC=CN=C1C YH50584 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.15 COC1=CC=CN=C1Cl XJ5647 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 COC1=CC=CN=C1N XJ3561 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.15 COC1=CC=CNC1=O XJ4627 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.15 COC1=NC=CC=C1N LQ4218 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.15 CSC1=C(Cl)C=CC=C1 JZ5186 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.15 CSC1=C(F)C=CC=C1 XJ1257 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.15 CSC1=CC=CC=C1C JZ4854 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.15 CSC1=CC=CC=C1I LQ4804 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 CSC1=CC=CC=C1O JZ4356 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.15 ClC1=CC=CC=C1CBr XJ1116 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.15 ClCC1=CC=CC=C1Br JZ3842 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.15 FC1=C(CBr)C=CC=C1 XJ0768 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.15 FC1=CC=CC=C1CBr RT11192 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.15 N#CC1=C(Br)C=CC=C1 LT0301 [1,0,0,0,0,0|1,0,2]=4 128 B9R1.15 N#CC1=C(Cl)C=CC=C1 CJ2994 [1,0,0,0,0,0|1,0,2]=4 129 B9R1.15 N#CC1=C(F)C=CC=C1 LT6546 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.15 N#CC1=C(I)C=CC=C1 JZ2517 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.15 N#CC1=C(N)C=CC=C1 RT1553 [1,0,0,0,0,0|1,0,2]=4 132 B9R1.15 N#CC1=C(O)C=CC=C1 YH09892 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.15 NC1=C(CO)C=NC=C1 HL3458 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.15 NC1=CC=CC=C1CO LT2291 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.15 NC1=NC=CC=C1CO JZ5602 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 NCC1=C(I)C=CC=C1 YH59249 [1,0,0,0,0,0|1,0,0]=2 137 B9R1.15 NCC1=C(N)C=CC=C1 YH52512 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.15 NCC1=C(O)C=CC=C1 LQ1562 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.15 NCC1=CC=CC=C1Br LT0305 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.15 NCC1=CC=CC=C1Cl LT6512 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.15 NCC1=CC=CN=C1Cl YH66504 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.15 NCC1=CC=CNC1=O RT2213 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.15 NNC1=C(F)C=CC=C1 JZ2154 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.15 NNC1=CC=CC=C1Br XJ5550 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.15 NNC1=CC=CC=C1F LT1512 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.15 O=CC1=C(Br)C=CC=C1 LT0299 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.15 OC1=CC=CN=C1CBr XJ6520 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.15 OCC1=C(Cl)C=CC=C1 LT1480 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.15 OCC1=C(Cl)C=CN=C1 HL3791 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 OCC1=C(F)C=CC=C1 XJ0769 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.15 OCC1=C(F)C=NC=C1 YH90998 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.15 OCC1=C(F)N=CC=C1 LT3420 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.15 OCC1=C(I)C=CC=C1 LQ2821 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.15 OCC1=CC=CC=C1Br LQ4155 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.15 OCC1=CC=NC=C1Cl YH65905 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.15 OCC1=NC=CC=C1O YH34195 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 SCC1=C(Cl)C=CC=C1 XJ5403 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.15 [O-][N+]1=CC=CC=C1CO RT9217 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.17 C=CCOC1=CC=CC=C1O HL0688 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.17 COCCC1=CC=CC=C1O RT11073 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.17 FCCSC1=CC=CC=C1Br LT1460 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.17 NCCOC1=CC=CC=C1O RT2926 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.17 OCCOC1=CC=CN=C1Br YH53850 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.41 CCOC1=C(OC)C=CC=C1 YH65716 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.41 CCOC1=CC=CC=C1CO XJ6252 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.41 COC1=C(CC#N)C=CC=C1 XJ3232 [0,1,0,0,0,0|0,0,2]=3 167 B11R1.41 COC1=C(N=C=O)C=CC=C1 LT1778 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.41 COC1=CC=CC=C1CC=O LQ4766 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.41 N#CCC1=C(C#N)C=CC=C1 HL2614 [0,1,0,0,0,0|0,0,3]=4 170 B11R1.41 O=CC1=C(CCBr)C=CC=C1 YH47917 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.81 CC1=CC(Br)=CC=C1N=C=S JZ5335 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.81 CC1=CC=C(NC=O)C(C)=C1 RT2672 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.81 CCCC1=C(O)C=C(O)C=C1 LQ4152 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 XJ2915 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.81 ClC1=CC(Br)=CC=C1CCI RT1162 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.81 N#CCC1=CC=C(Cl)C=C1F XJ6340 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.81 N#CCC1=CC=C(F)C=C1Cl XJ6342 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.81 N#CCC1=CC=C(F)C=C1F XJ1262 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl XJ5608 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.81 OCCC1=CC=C(Br)C=C1Cl RT1161 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.86 CC(=O)CC1=CC=CC=C1Br RT11899 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.86 CC(C)OC1=C(O)C=CC=C1 JZ2617 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.86 CC(C)OC1=CC=CC=C1Br JZ4107 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.86 CC(N)CC1=CC=CC=C1F JZ4703 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 LT2142 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.86 CC1=CC=CC=C1NC(N)=O HL0193 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.86 NC(=O)NC1=CC=CC=C1F XJ1260 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.86 NC(=S)NC1=CC=CC=C1Cl XJ2860 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.86 NC(=S)NC1=CC=CC=C1O LQ1826 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.86 NC1=CC=CC=C1OC(F)F XJ4641 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 XJ0788 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 LT6517 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 LT6567 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.86 O=C(O)CC1=CC=CC=C1Br LT6480 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.86 O=C(O)CC1=CC=CC=C1S RT19094 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.86 O=C([O-])CC1=CC=CC=C1O JZ0260 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 LL2065 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.182 CCOC1=CC(Cl)=CC=C1I LT3170 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.182 CCOC1=CC(N)=CC=C1Br LL2988 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.182 NC1=CC=C(N)C(CCO)=C1 YH96767 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl YH42571 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.222 COC(=O)C1=C(C)C=CC=C1 LT7460 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [0,1,0,0,0,0|1,0,1]=3 206 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.222 NCC(O)C1=CC=CC=C1F JZ2275 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 HL3028 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 JZ0198 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.222 NNC(=O)C1=CC=CC=C1Cl YH66690 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl HL2832 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.222 O=C(CCl)C1=CC=CC=C1F RT11088 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.605 CC1=CC=CC(C)=C1N=C=O LQ4609 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.605 CC1=CC=CC(C)=C1N=C=S JZ5331 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.605 N#CCC1=C(F)C=CC=C1F XJ1246 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.605 OCCC1=C(F)C=CC=C1Cl LL2609 [0,1,0,0,0,0|2,0,0]=3 218 B9R0.15 C=C\C=C(/CCC)C(=O)O RT16956 [0,0,1,0,0,0|3,0,0]=4 219 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 LT1106 [0,0,0,1,0,0|2,0,0]=3 220 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 LT1107 [0,0,0,1,0,0|2,0,0]=3 221 B11R2.10 NC1=CC2=C(C=CC=C2)N1 RT15983 [0,0,0,1,0,0|1,0,2]=4 222 B11R2.10 NC1=NC2=C(C=CC=C2)N1 LT6425 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.10 NC1=NC2=C(C=CC=C2)S1 LL0576 [0,0,0,1,0,0|2,0,1]=4 224 B11R2.10 NC1CC2=C(C=CC=C2)C1 HL2236 [0,0,0,1,0,0|0,0,0]=1 225 B11R2.10 NC1CC2=CC=CC=C2C1 XJ2313 [0,0,0,1,0,0|0,0,0]=1 226 B11R2.10 O=C1CC2=C(C=CC=C2)N1 JZ1726 [0,0,0,1,0,0|2,0,1]=4 227 B11R2.10 O=C1CC2=CC=CC=C2C1 JZ0697 [0,0,0,1,0,0|1,0,1]=3 228 B11R2.10 O=C1CC2=CC=CC=C2S1 RT9248 [0,0,0,1,0,0|2,0,1]=4 229 B11R2.10 OC1CC2=CC=CC=C2C1 JZ0698 [0,0,0,1,0,0|1,0,0]=2 230 B11R2.10 SC1NC2=C(C=CC=C2)N1 LQ5320 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.20 C1=CC2=C(C=C1)NCCN2 YH55994 [0,0,0,1,0,0|3,0,0]=4 232 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [0,0,0,1,0,0|1,0,0]=2 233 B11R2.20 C1=CC=C2OCCOC2=C1 LL0887 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.20 C1=CN=C2CCCCC2=N1 LT3813 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [0,0,0,1,0,0|2,0,0]=3 237 B11R2.20 C1=NC=C2CCNCC2=N1 YH18693 [0,0,0,1,0,0|2,0,0]=3 238 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [0,0,0,1,0,0|1,0,0]=2 239 B11R2.20 C1=NC=C2CNCCC2=N1 YH43243 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.55 ClC1=CC=CC=C1C2CO2 RT7261 [0,0,0,1,0,0|2,0,0]=3 241 B11R2.55 OC1=CC=CC=C1C2CO2 RT7911 [0,0,0,1,0,0|2,0,0]=3 242 B11R2.106 BrC1=C2C=CNC2=CC=C1 XJ5630 [0,0,0,1,0,0|1,0,2]=4 243 B11R2.106 BrC1=C2C=NNC2=CC=C1 HL3747 [0,0,0,1,0,0|2,0,1]=4 244 B11R2.106 BrC1=CC=CC2=C1CC=C2 YH65705 [0,0,0,1,0,0|2,0,1]=4 245 B11R2.106 BrC1=CC=CC2=C1CCO2 RT9936 [0,0,0,1,0,0|2,0,0]=3 246 B11R2.106 CC1=C2N=CNC2=CC=C1 YH03213 [0,0,0,1,0,0|1,0,1]=3 247 B11R2.106 CC1=C2N=NNC2=CC=C1 RT8360 [0,0,0,1,0,0|2,0,0]=3 248 B11R2.106 CC1=CC=CC2=C1C=CC2 YH16258 [0,0,0,1,0,0|1,0,2]=4 249 B11R2.106 CC1=CC=CC2=C1C=CN2 XJ4238 [0,0,0,1,0,0|0,0,2]=3 250 B11R2.106 CC1=CC=CC2=C1NC=C2 LT3620 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.106 CC1=CC=NC2=C1C=CN2 YH88199 [0,0,0,1,0,0|1,0,2]=4 252 B11R2.106 CC1=NC=CC2=C1C=CN2 YH65921 [0,0,0,1,0,0|1,0,2]=4 253 B11R2.106 ClC1=C2C=CNC2=CC=C1 JZ5661 [0,0,0,1,0,0|1,0,2]=4 254 B11R2.106 FC1=C2C=CNC2=CC=C1 HL1724 [0,0,0,1,0,0|1,0,2]=4 255 B11R2.106 FC1=CC=CC2=C1CCN2 YH65847 [0,0,0,1,0,0|1,0,0]=2 256 B11R2.106 NC1=C2C=CNC2=CC=C1 LT2400 [0,0,0,1,0,0|1,0,2]=4 257 B11R2.106 NC1=C2OCOC2=CC=C1 LQ1859 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.106 NC1=CC=CC2=C1C=CN2 RT10654 [0,0,0,1,0,0|1,0,2]=4 259 B11R2.106 OC1=C2C=CNC2=CC=C1 RT14408 [0,0,0,1,0,0|1,0,2]=4 260 B11R2.106 OC1=C2CCOC2=CC=C1 YH34935 [0,0,0,1,0,0|2,0,0]=3 261 B11R2.106 OC1=C2N=CNC2=CC=C1 YH13030 [0,0,0,1,0,0|2,0,1]=4 262 B11R2.106 OC1=CC=CC2=C1CC=C2 RT6145 [0,0,0,1,0,0|2,0,1]=4 263 B9R1.33 CC1=C(CCCl)SC=N1 RT10340 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.33 CC1=C(CCO)SC=N1 RT17443 [0,0,0,0,1,0|3,0,0]=4 265 B9R1.33 CN1C=NC=C1CCN RT4531 [0,0,0,0,1,0|2,0,0]=3 266 B8R0.4 CCC\C=C\C=C\C=O LT5073 [1,0,1,0,0,0|1,0,1]=4 267 B8R0.4 C\C=C\C=C/C=C/C=O RT17881 [1,0,1,0,0,0|1,0,1]=4 268 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,2]=4 274 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 CNC1=CC=CN=C1 LT2493 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 COC1=CC=CN=C1 LT6817 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|0,0,2]=4 288 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|0,0,2]=4 289 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|0,0,0]=2 290 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 NCC1=NC=CC=N1 YH17523 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 NCC1=NC=CN=C1 YH58835 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|1,0,0]=3 298 B8R1.2 NNC1=CC=CN=C1 YH00904 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 NNC1=CC=CN=C1 YH12082 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 NNC1=CC=CN=C1 YH57193 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|1,0,0]=3 304 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 309 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 310 B8R1.5 BrC1=CC=CC=C1I SY0258 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.5 CC1=C(Br)C=CN=C1 XJ3543 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.5 CC1=C(Br)C=NC=C1 JZ0795 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.5 CC1=C(C)C=CC=C1 LQ0273 [2,0,0,0,0,0|0,0,0]=2 314 B8R1.5 CC1=C(C)C=NC=C1 XJ1007 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.5 CC1=C(Cl)C=CN=C1 LQ1897 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.5 CC1=C(Cl)C=CN=C1 XJ4531 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.5 CC1=C(F)C=CC=C1 YH97940 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.5 CC1=C(F)C=CC=N1 JZ5076 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.5 CC1=C(F)C=NC=C1 YH59267 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.5 CC1=C(N)C=NC=C1 RT2358 [2,0,0,0,0,0|1,0,0]=3 321 B8R1.5 CC1=C(N)N=CC=C1 CJ2791 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.5 CC1=C(O)C=CN=C1 XJ4659 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.5 CC1=C(O)C=NC=C1 YH25048 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.5 CC1=CC=CC=C1N JZ4019 [2,0,0,0,0,0|0,0,0]=2 325 B8R1.5 CC1=CC=CC=C1N LQ0277 [2,0,0,0,0,0|0,0,0]=2 326 B8R1.5 CC1=CC=CN=C1Br JZ0769 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.5 CC1=CC=CN=C1O HL0576 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.5 CC1=CN=CC=C1Br YH00293 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.5 CC1=CN=CC=C1N JZ1864 [2,0,0,0,0,0|1,0,0]=3 330 B8R1.5 CC1=NC=CC=C1Br LQ4989 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.5 CC1=NC=CC=C1Cl YH65571 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.5 CC1=NC=CC=C1N HL2564 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.5 CC1=NC=CC=C1O LT5849 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.5 CC1=NC=CN=C1N YH43939 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.5 CC1=NC=NC=C1N LQ2453 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.5 CC1=[N+]([O-])C=CC=C1 JZ0744 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.5 CN1C=CC=CC1=O LQ1352 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.5 ClC1=C(Br)C=CC=C1 LT0061 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.5 ClC1=C(I)C=CC=C1 HL0203 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.5 FC1=C(Br)C=CC=C1 LT1562 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.5 FC1=C(Cl)C=CC=C1 LQ0714 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.5 FC1=C(F)C=CC=C1 LT0041 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.5 FC1=C(I)C=CC=C1 LQ0715 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.5 FC1=C(S)C=CC=C1 LQ2244 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.5 IC1=C(I)C=CC=C1 HL0204 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.5 NC1=C(Br)C=CC=N1 LQ3666 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.5 NC1=C(Br)C=CN=C1 YH48633 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.5 NC1=C(Br)C=NC=C1 LQ3665 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.5 NC1=C(Cl)C=CN=C1 JZ5401 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.5 NC1=C(F)C=CC=C1 LT6543 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.5 NC1=C(F)C=NC=C1 XJ2124 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.5 NC1=C(I)C=CC=C1 HL0205 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.5 NC1=C(I)C=NC=C1 XJ6581 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.5 NC1=C(N)C=CC=C1 LT7286 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.5 NC1=C(N)C=NC=C1 LQ0029 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.5 NC1=C(O)C=CC=N1 LT0236 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.5 NC1=C(O)C=CN=C1 LQ3070 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.5 NC1=C(O)C=NC=C1 RT2267 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.5 NC1=C(O)N=CC=C1 LX2871 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.5 NC1=CC=CC=C1Br HL0202 [2,0,0,0,0,0|1,0,0]=3 361 B8R1.5 NC1=CC=CC=C1O LT0278 [2,0,0,0,0,0|1,0,0]=3 362 B8R1.5 NC1=CC=CC=C1S LL0580 [2,0,0,0,0,0|1,0,0]=3 363 B8R1.5 NC1=CC=CN=C1Br YH59182 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.5 NC1=CC=CN=C1Cl LT6701 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.5 NC1=CC=CN=C1F LX2048 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.5 NC1=CC=CN=C1I YH45611 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.5 NC1=CC=CN=C1N YH15322 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.5 NC1=CC=NC=C1Cl RT2201 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.5 NC1=NC=CC=C1Cl XJ5382 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.5 NC1=NC=CC=C1F LQ4289 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.5 NC1=NC=CC=C1I LT3192 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.5 OC1=C(Br)C=CC=C1 LQ0278 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.5 OC1=C(F)C=CC=C1 LT6549 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.5 OC1=C(I)C=CC=C1 LL0943 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.5 OC1=CC=CC=C1O LL0488 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.5 [15NH2]C1=CC=CC=C1[15NH2] RT2962 [2,0,0,0,0,0|1,0,0]=3 377 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.1 CC1=CN=C(CCN)C=C1 YH88428 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [1,1,0,0,0,0|0,0,2]=4 390 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [1,1,0,0,0,0|0,0,2]=4 391 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [1,1,0,0,0,0|0,0,2]=4 392 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [1,1,0,0,0,0|0,0,2]=4 394 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [1,1,0,0,0,0|0,0,2]=4 406 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [1,1,0,0,0,0|0,0,2]=4 414 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [1,1,0,0,0,0|0,0,2]=4 415 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [1,1,0,0,0,0|0,0,2]=4 416 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,1,0,0,0,0|0,0,2]=4 417 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,1,0,0,0,0|0,0,0]=2 420 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [1,1,0,0,0,0|0,0,2]=4 432 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [1,1,0,0,0,0|0,0,2]=4 464 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [1,1,0,0,0,0|0,0,2]=4 465 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [1,1,0,0,0,0|0,0,1]=3 466 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.18 CC(C)CC1=CC=CN=C1 LT3805 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.18 N=C(N)NC1=CC=CC=C1 LQ3733 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.18 N=C(N)NC1=CC=CC=C1 YH65018 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [1,1,0,0,0,0|0,0,1]=3 487 B10R1.18 NC(=O)CC1=CC=CN=C1 HL2586 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [1,1,0,0,0,0|0,0,1]=3 491 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.2 C(=O)C1=CC=CC(C)=C1C HL2997 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.2 CC1=C(Br)C=CC=C1CO YH66319 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.2 CC1=C(C)C(C#N)=CC=C1 XJ2966 [1,1,0,0,0,0|0,0,2]=4 496 B10R1.2 CC1=C(C)C(CBr)=CC=C1 JZ5766 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.2 CC1=C(C=O)C=CC=C1F HL3570 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.2 CC1=C(Cl)C=CN=C1CO RT8743 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.2 CCC1=C(O)C(=O)C=CO1 XJ2805 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.2 COC1=C(Br)C(Br)=CC=C1 YH65952 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.2 COC1=C(Cl)C(N)=CC=C1 XJ6886 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.2 COC1=C(F)C(N)=CC=C1 LL2949 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.2 COC1=C(N)C(C)=CC=C1 YH04227 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.2 COC1=C(O)C(O)=CC=C1 JZ4287 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.2 COC1=CC=CC(Cl)=C1C XJ2409 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.2 COC1=CC=CC(F)=C1F YH32379 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.2 COC1=CC=CC(N)=C1C XJ4524 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.2 CSC1=CC=CC(Cl)=C1C YH88406 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.2 FC1=C(Br)C(CBr)=CC=C1 CJ2132 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.2 FC1=C(CBr)C=CC=C1Br CJ2246 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.2 FC1=C(Cl)C=CC=C1CBr CJ3044 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.2 FC1=CC=CC(CBr)=C1Cl YH91470 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.2 FC1=CC=CC(CBr)=C1F XJ6888 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.2 NCC1=C(Cl)C(F)=CC=C1 YH15669 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.2 OCC1=CC=CC(F)=C1Br CJ2761 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.20 BrCC1=CC=CC=C1CBr RT11980 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.20 C(=O)C1=C(OC)C=CC=C1 RT17703 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.20 C(=O)C1=CC=CC=C1CC RT12794 [1,1,0,0,0,0|0,0,1]=3 519 B10R1.20 CCC1=C(NN)C=CC=C1 LQ5433 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.20 CCC1=NC=CN=C1CC JZ0973 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.20 COC1=C(CN)C=CC=C1 JZ2995 [1,1,0,0,0,0|0,0,0]=2 522 B10R1.20 COC1=CC=CC=C1C#N SY0006 [1,1,0,0,0,0|0,0,2]=4 523 B10R1.20 COC1=CC=CC=C1CCl YH14808 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.20 COC1=CC=CC=C1NN RT12858 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.20 COC1=CC=CC=C1NN XJ5828 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.20 COC1=CC=CC=C1SC JZ1969 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.20 COC1=NC=CC=C1NN YH37776 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.20 N#CC1=C(CBr)C=CC=C1 LT6905 [1,1,0,0,0,0|0,0,2]=4 529 B10R1.20 N#CC1=C(CCl)C=CC=C1 HL0135 [1,1,0,0,0,0|0,0,2]=4 530 B10R1.20 NCC1=C(C=O)C=CC=N1 HL4830 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.20 OCC1=CC=CC=C1CO HL0136 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.25 CC1=C(C#N)C=CC(F)=C1 YH35540 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.25 CC1=C(C=O)C=CC(O)=C1 XJ5425 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.25 CC1=C(CN)C=CC(Br)=C1 YH57929 [1,1,0,0,0,0|0,0,0]=2 535 B10R1.25 CC1=CC(C)=C(C=O)C=C1 JZ5009 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.25 CC1=CC(C)=C(CCl)C=C1 JZ4186 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.25 CC1=CC(C)=C(NN)C=C1 XJ5904 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 HL4914 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.25 CC1=CC(Cl)=CC=C1C#N LX3023 [1,1,0,0,0,0|0,0,2]=4 540 B10R1.25 CC1=CC(F)=CC=C1C=O YH11075 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.25 CC1=CC(N)=CC=C1C#N CJ2968 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.25 CC1=CC(O)=CC=C1N=O RT11607 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.25 CC1=CC=C(CBr)C(F)=C1 LL1994 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 YH47820 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.25 CC1=CN=C(CCl)C(C)=C1 RT9256 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.25 CC1=CN=C(CO)C(C)=C1 RT9696 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.25 CCC1=CC=C(O)C=C1O LQ2338 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.25 CCC1=NC=C(C)N=C1C LT2166 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.25 CCC1=NC=C(C)N=C1C XJ5736 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.25 CNC1=CC=C(C)C=C1C RT10900 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 XJ5918 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.25 COC1=C(Br)C=C(N)C=C1 YH19588 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.25 COC1=C(C)C=C(F)C=C1 LQ0747 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.25 COC1=C(Cl)C=C(F)C=C1 HL2164 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.25 COC1=C(Cl)C=C(N)C=C1 LT2912 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.25 COC1=C(F)C=C(F)C=C1 XJ0790 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.25 COC1=C(F)C=C(N)C=C1 LL0749 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.25 COC1=C(N)C=C(F)C=C1 JZ1845 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.25 COC1=C(O)C=C(Br)C=C1 JZ1166 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.25 COC1=CC=C(C)C=C1F LQ0748 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.25 COC1=CC=C(C)C=C1O JZ4479 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.25 COC1=CC=C(Cl)C=C1I YH05404 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.25 COC1=CC=C(N)C=C1N LT0111 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.25 COC1=CC=C(O)C=C1O JZ2877 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 COC1=NC=C(N)C=C1C YH90792 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.25 ClC1=CC(Br)=CC=C1CBr RT11106 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.25 ClC1=CC=C(CBr)C(Cl)=C1 JZ5384 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 LT1665 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.25 FC1=CC(Cl)=CC=C1CCl YH91438 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.25 FC1=CC=C(CBr)C(F)=C1 XJ4765 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.25 NC1=CC(F)=CC=C1CBr YH53941 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.25 NCC1=C(F)C=C(F)C=C1 YH65888 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.25 NCC1=CC=C(Br)C=C1F XJ6857 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.25 NCC1=CC=C(Cl)C=C1Cl LQ0256 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.25 NCC1=CC=C(F)C=C1Cl XJ4185 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.25 NNC1=CC=C(Cl)C=C1Cl LQ2880 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 NNC1=CC=C(F)C=C1Cl LL2880 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 XJ1917 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 HL3864 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 OCC1=C(F)C=C(Br)C=C1 HL3773 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 YH07390 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.30 C#CC1=CC(N)=CC=C1C RT2895 [1,1,0,0,0,0|0,0,2]=4 583 B10R1.30 C(=O)C1=C(C)C=CC(F)=C1 JZ5501 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.30 C(=O)C1=CC(Br)=CC=C1C YH94258 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.30 CC1=C(NN)C=C(Br)C=C1 LL2620 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.30 CC1=CC(CCl)=C(C)C=C1 LQ1489 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.30 CC1=CC(CN)=C(C)C=C1 HL1221 [1,1,0,0,0,0|0,0,0]=2 588 B10R1.30 CC1=CC=C(C)C(CO)=C1 LQ5315 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 JZ4874 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.30 CCC1=C(I)C=CC(Br)=C1 LL2449 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.30 CCC1=CC(Br)=CC=C1O RT11159 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.30 CCC1=CC(O)=CC=C1I YH37192 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.30 CCC1=NC(C)=CC=C1O RT9719 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 YH40244 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 CJ2812 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.30 COC1=C(F)C=CC(F)=C1 YH17327 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.30 COC1=C(F)C=CC(N)=C1 LL1071 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.30 COC1=CC(Br)=CC=C1N LX2103 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.30 COC1=CC(N)=CC=C1Br JZ5281 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.30 COC1=CC(N)=CC=C1O RT1602 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.30 COC1=CC(O)=CC=C1Br HL3101 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.30 COC1=CC(O)=CC=C1O LQ1490 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 LX2601 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.30 ClC1=CC=C(Br)C(CBr)=C1 RT11956 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.30 ClC1=CC=C(Cl)C(CBr)=C1 HL4774 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.30 ClCC1=C(Cl)C=CC(Cl)=C1 XJ2300 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.30 ClCC1=CC(I)=CC=C1Cl CJ2768 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.30 FC1=C(CBr)C=C(Br)C=C1 XJ6718 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.30 FC1=CC(CCl)=C(F)C=C1 LL0894 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.30 FC1=CC=C(F)C(CBr)=C1 HL4746 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.30 NC1=CC=C(Cl)C(CO)=C1 YH94191 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 LQ3465 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.30 NCC1=C(F)C=CC(F)=C1 HL4753 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.30 NCC1=CC(Cl)=CC=C1F LL2672 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.30 NNC1=C(F)C=CC(F)=C1 LQ5195 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.30 NNC1=CC(F)=CC=C1F HL3701 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.30 OCC1=C(Br)C=CC(F)=C1 YH44611 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.30 OCC1=C(F)C=CC(Br)=C1 XJ6719 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.30 OCC1=CC(F)=CC=C1O LT3858 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.61 C=C(C)C1=CC=CC=C1C LQ4513 [1,1,0,0,0,0|0,0,1]=3 621 B10R1.61 CC(=O)C1=C(C)C=CC=C1 JZ3832 [1,1,0,0,0,0|0,0,1]=3 622 B10R1.61 CC(=O)C1=C(F)C=CC=C1 LT6542 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.61 CC(=O)C1=CC=CC=C1Br LQ2085 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.61 CC(=O)C1=CC=CC=C1Cl RT11894 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.61 CC(=O)C1=CC=CN=C1C YH39691 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.61 CC(C)C1=C(Br)C=CC=C1 XJ3244 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.61 CC(C)C1=C(N)C=CC=C1 JZ4085 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.61 CC(C)C1=C(O)C=CC=C1 LL0172 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.61 CC(N)C1=CC=CC=C1O YH66634 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.61 CC(N)C1=NC=CC=C1N RT2322 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.61 CC(O)C1=CC=CC=C1Cl LQ3656 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.61 CC1=C(C(=O)O)C=CC=C1 LQ0494 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 LT3220 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.61 CC1=CC=CC=C1B(O)O LT6617 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.61 CC1=CC=CC=C1C(=O)Cl JZ4285 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.61 CC1=CC=CC=C1N(C)C XJ1085 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.61 CN(C)C1=CC=CC=C1Cl LQ1380 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.61 C[C@@H](N)C1=CC=CC=C1O YH29387 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.61 C[C@@H](N)C1=NC=CC=C1F RT1757 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.61 C[C@H](N)C1=NC=CC=C1F RT1756 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.61 N=C(N)C1=C(O)C=CC=C1 YH65820 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.61 NC(=O)C1=CC=CC=C1N LL0171 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.245 CC1=C(C=O)C(O)=CC=C1 YH41912 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.245 CC1=CC=CC(C)=C1C=O HL0668 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.245 CC1=CC=CC(C)=C1CCl HL2934 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.245 CC1=CC=CC(C)=C1CN RT3559 [1,1,0,0,0,0|0,0,0]=2 647 B10R1.245 CC1=CC=CC(C)=C1CN XJ6299 [1,1,0,0,0,0|0,0,0]=2 648 B10R1.245 CC1=CC=CC(C)=C1CO YH10542 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.245 CC1=CC=CC(C)=C1NN LQ2219 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.245 CCC1=C(Br)C=NC=C1Br LL2047 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.245 COC1=C(Br)C=CC=C1Br YH58496 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.245 CSC1=C(C)C=CC=C1C YH00665 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.245 FC1=CC=CC(Br)=C1CBr JZ4621 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.245 FC1=CC=CC(F)=C1CBr HL4747 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.245 NCC1=C(F)C=CC=C1Cl LT1479 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.245 NCC1=C(F)C=CC=C1F HL4382 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.245 NCC1=C(N)C=CC=C1F LL2431 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.245 NNC1=C(F)C=CC=C1F XJ6915 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.245 OCC1=C(F)C=CC=C1Cl LT1701 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.245 OCC1=C(F)C=CC=C1F YH42966 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.245 [C-]#[N+]C1=C(C)C=CC=C1C HL2344 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.187 NCCN1C(=O)C=CC1=O HL3537 [0,1,0,0,1,0|2,0,0]=4 663 B12R1.25 CCCOC1=CC=CC(F)=C1F LL2027 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.224 CC1=C(C)C(CC(=O)O)=CC=C1 RT11914 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.497 NC1=C(CCO)C(F)=C(F)C=C1 YH35145 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.544 NNCC1=CC=C(O)C(O)=C1O RT3113 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.69 CCCCC1=CC=C(O)C=C1O LQ4153 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 LL1272 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 LL1273 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 YH12748 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.69 O=CCCC1=CC=C(Cl)C=C1Cl RT6466 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.69 OCCCC1=CC=C(O)C=C1O CJ2821 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.121 CCCOC1=C(C=O)C=CC=C1 YH15035 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.121 COC1=C(OCCN)C=CC=C1 LT1598 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.121 COC1=C(OCCN)C=CC=C1 LX3002 [0,2,0,0,0,0|0,0,0]=2 676 B12R1.121 COC1=CC=CC=C1OCC=O RT11881 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.121 O=CC1=CC=CC=C1OCCBr XJ5919 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 YH47112 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.125 O=C(O)CCC1=CC=CC=C1Br XJ4152 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl HL0947 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.267 CCCCCC1=C(C)C=CC=C1 YH37584 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.308 CC1=CC=CC=C1C(N)CCO RT12768 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [0,2,0,0,0,0|1,0,1]=4 685 B12R1.371 CC1=CC=CC=C1NC(=S)NN HL0176 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.374 CCNCC1=CC(N)=CC=C1O RT3657 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.374 O=CCCC1=CC(Cl)=CC=C1Cl RT5982 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 YH05030 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.75 COC1=CC=CC=C1CC(=O)O HL1217 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.75 NCC1=CC=CC=C1CC(=O)O YH00265 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.75 O=C(O)CC1=CC=CC=C1CCl YH97821 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.77 COC1=CC=CC=C1C(=O)CBr LT0285 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.77 COC1=CC=CC=C1C(=O)NN XJ3327 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.169 CCCC1=C(N=C=O)C=CC=C1 HL3809 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.169 CCOC1=CC=CC=C1OCC HL2082 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.169 N#CCC1=CC=CC=C1CC#N HL0155 [0,2,0,0,0,0|0,0,2]=4 697 B12R1.169 N#CCC1=CC=CC=C1CC#N HL0169 [0,2,0,0,0,0|0,0,2]=4 698 B12R1.114 COC1=CC=C(CC#N)C(C)=C1 LL2741 [0,2,0,0,0,0|0,0,2]=4 699 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 YH00198 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.233 CC1=CC=C(CC(=N)N)C(C)=C1 YH19455 [0,2,0,0,0,0|0,0,1]=3 701 B12R1.1095 CC1=CC(C)=C(CC#N)C(C)=C1 XJ5166 [0,2,0,0,0,0|0,0,2]=4 702 B12R1.1123 NCCC1=C(F)C=C(O)C(O)=C1 YH65313 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 YH53846 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.1703 N[C@@H](CO)C1=CC=C(F)C=C1O RT12086 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.1703 O[C@@H](CCl)C1=CC=C(Cl)C=C1Cl YH30362 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.1703 O[C@H](CCl)C1=CC=C(Cl)C=C1Cl YH66335 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 JZ3784 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.151 CC1=CC=CC=C1CC(C)(C)N YH66668 [0,2,0,0,0,0|0,0,0]=2 709 B12R1.1009 NC(=S)CC1=C(Cl)C=CC=C1Cl LQ4000 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.243 CCN(CC)C1=CC=CC=C1C JZ3917 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.113 NC1C=CC=C(C(=O)O)C1 RT4711 [0,0,1,1,0,0|2,0,0]=4 712 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|0,0,0]=2 713 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|1,0,0]=3 714 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|1,0,0]=3 715 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|2,0,0]=4 716 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|2,0,0]=4 717 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|0,0,2]=4 718 B10R2.7 C1=CC2=C(C=C1)NN=N2 LQ0258 [1,0,0,1,0,0|2,0,0]=4 719 B10R2.7 C1=CC2=NCCN2C=C1 RT2480 [1,0,0,1,0,0|1,0,1]=4 720 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|1,0,1]=4 721 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|0,0,0]=2 722 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|1,0,1]=4 723 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|1,0,0]=3 724 B10R2.7 C1=CN=C2CCCC2=C1 SY0245 [1,0,0,1,0,0|2,0,0]=4 725 B10R2.7 C1=CN=C2CCCC2=C1 XJ1002 [1,0,0,1,0,0|2,0,0]=4 726 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|1,0,1]=4 727 B12R2.82 CC1=C2C=CNC2=CC=C1N YH43607 [0,1,0,1,0,0|0,0,2]=4 728 B12R2.202 CC1=C2N=C([S-])NC2=CC=C1 HL4159 [0,1,0,1,0,0|1,0,1]=4 729 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 YH35534 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 XJ6693 [0,1,0,1,0,0|1,0,1]=4 731 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 YH65719 [0,1,0,1,0,0|1,0,1]=4 732 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 XJ4615 [0,1,0,1,0,0|1,0,1]=4 733 B12R2.1081 BrC1=CC=CC2=C1CCNC2 YH19833 [0,1,0,1,0,0|0,0,0]=2 734 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [0,1,0,1,0,0|2,0,0]=4 735 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [0,1,0,1,0,0|0,0,0]=2 736 B12R2.1081 NC1=C2CCCCC2=CC=C1 XJ2066 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY0077 [0,1,0,1,0,0|0,0,0]=2 738 B12R2.1081 NC1=CC=CC2=C1NCCC2 LT1041 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.1081 NC1=CC=CC2=C1OCCO2 XJ4233 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.1081 NC1=CN=CC2=C1CCCC2 RT1534 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.1081 NC1CCNC2=CC=CC=C21 YH65897 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [0,1,0,1,0,0|1,0,0]=3 744 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [0,1,0,1,0,0|1,0,0]=3 745 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 YH57498 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,1,0,1,0,0|1,0,1]=4 748 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,1,0,1,0,0|0,0,1]=3 749 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,1,0,1,0,0|1,0,1]=4 750 B12R2.1081 OC1=C2OCCNC2=CC=C1 YH14849 [0,1,0,1,0,0|1,0,0]=3 751 B12R2.1081 OC1=CC=CC2=C1CC=CC2 XJ4966 [0,1,0,1,0,0|1,0,1]=4 752 B12R2.1081 OC1=CC=CC2=C1CNCC2 RT7770 [0,1,0,1,0,0|0,0,0]=2 753 B12R2.1081 OC1CCCC2=C1C=CC=N2 YH65731 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.1081 OC1CCCC2=CC=CN=C21 YH35264 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [0,1,0,1,0,0|0,0,0]=2 757 B12R2.24 BrC1=CC2=C(C=C1)CCC=C2 CJ2974 [0,1,0,1,0,0|1,0,1]=4 758 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 YH46471 [0,1,0,1,0,0|0,0,0]=2 759 B12R2.24 BrC1=CC=C2CCNCC2=C1 YH40784 [0,1,0,1,0,0|0,0,0]=2 760 B12R2.24 CC1=CC2=C(C=C1)NCCC2 XJ0199 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.24 CC1CCC2=CC=CC=C2N1 XJ1928 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)N1 LT1109 [0,1,0,1,0,0|2,0,0]=4 763 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)N1 LT1108 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.24 FC1=CC2=C(C=C1)OCCC2 RT8167 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.24 NC1=CC2=C(C=C1)CCCN2 LT1147 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.24 NC1=CC2=C(C=C1)CNCC2 YH15702 [0,1,0,1,0,0|0,0,0]=2 767 B12R2.24 NC1=CC=C2CCCNC2=C1 YH36668 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.24 NC1CCC2=C(C=CC=C2)C1 YH65482 [0,1,0,1,0,0|0,0,0]=2 769 B12R2.24 NC1CCC2=CC=CC=C2C1 JZ2198 [0,1,0,1,0,0|0,0,0]=2 770 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 JZ5475 [0,1,0,1,0,0|0,0,0]=2 771 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 LQ4317 [0,1,0,1,0,0|0,0,0]=2 772 B12R2.24 O=C1CCC2=CC=CN=C2C1 YH18355 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.24 O=C1CCC2=CC=NC=C2C1 YH47858 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.24 O=C1CCC2=NC=CC=C2C1 YH51321 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.24 OC1=CC2=C(C=C1)CCCC2 LT3595 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.24 OC1=CC2=C(C=C1)CCCO2 CJ2931 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.24 OC1=CC2=C(C=C1)OCCC2 CJ2929 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.24 OC1=CC=C2CCCNC2=C1 YH08365 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.24 OC1=CC=C2NCCCC2=C1 LT6061 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [0,1,0,1,0,0|1,0,1]=4 781 B12R2.32 ICC1CC2=CC=CC=C2O1 RT9864 [0,1,0,1,0,0|1,0,0]=3 782 B12R2.32 NCC1=NC2=CC=CC=C2N1 LQ3005 [0,1,0,1,0,0|1,0,1]=4 783 B12R2.32 O=CC1CC2=CC=CC=C2O1 LQ2632 [0,1,0,1,0,0|1,0,1]=4 784 B12R2.32 ON=C1CC2=CC=CC=C2C1 HL2501 [0,1,0,1,0,0|0,0,2]=4 785 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 LQ4415 [0,1,0,1,0,0|1,0,0]=3 786 B12R2.196 CC1=CC=CC2=C1C=CC2C YH65961 [0,1,0,1,0,0|1,0,1]=4 787 B12R2.196 NC1CCC2=C1C=CC=C2F YH35733 [0,1,0,1,0,0|1,0,0]=3 788 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CJ2785 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.196 O=C1CCC2=C1C=CC=C2Cl XJ4153 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.196 O=C1CCC2=C1C=CC=C2O LQ5074 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [0,1,0,1,0,0|0,0,2]=4 792 B12R2.18 CC1CC2=C(C=CC=C2)N1N HL3135 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.18 CC1CC2=C(C=CC=C2)N1N LQ4728 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.18 CC1CC2=CC=CC=C2C1=O LQ3991 [0,1,0,1,0,0|1,0,1]=4 795 B12R2.18 CN1C(=O)CC2=CC=CC=C21 YH10239 [0,1,0,1,0,0|1,0,1]=4 796 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O JZ4790 [0,1,0,1,0,0|1,0,0]=3 797 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O YH32938 [0,1,0,1,0,0|1,0,0]=3 798 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O LT4572 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.18 O=C1C2=CC=CC=C2CC1Br XJ1912 [0,1,0,1,0,0|1,0,1]=4 800 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.315 C=CC1=CC=CC2=C1CCO2 YH48063 [0,1,0,1,0,0|1,0,1]=4 802 B12R2.315 CCC1=C2NCCC2=CC=C1 LT3230 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.315 COC1=C2C=CNC2=CC=C1 JZ2637 [0,1,0,1,0,0|0,0,2]=4 804 B12R2.315 COC1=C2CCNC2=CC=C1 YH17298 [0,1,0,1,0,0|0,0,0]=2 805 B12R2.315 OCC1=C2CCOC2=CC=C1 RT9703 [0,1,0,1,0,0|1,0,0]=3 806 B12R2.315 OCC1=CC=CC2=C1C=CN2 JZ4371 [0,1,0,1,0,0|0,0,2]=4 807 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 YH34665 [0,1,0,1,0,0|1,0,1]=4 808 B12R2.221 CC1=CC=C(C)C2=C1C=CC2 YH14512 [0,1,0,1,0,0|1,0,1]=4 809 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 LX2203 [0,1,0,1,0,0|1,0,1]=4 810 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [0,0,0,2,0,0|1,0,0]=3 811 B8R1.8 NCCC1=CC=NN1 RT1410 [1,0,0,0,1,0|2,0,0]=4 812 B8R1.8 NCCC1=CNC=N1 HL1018 [1,0,0,0,1,0|2,0,0]=4 813 B8R1.8 NCCC1=CNC=N1 LQ0056 [1,0,0,0,1,0|2,0,0]=4 814 B8R1.8 NCCN1C=CN=C1 XJ2978 [1,0,0,0,1,0|2,0,0]=4 815 B8R1.8 OCCC1=CC=CS1 LT0210 [1,0,0,0,1,0|2,0,0]=4 816 B8R1.11 CN1N=CC=C1CN YH90470 [1,0,0,0,1,0|2,0,0]=4 817 B8R1.11 CSC1=C(C)OC=C1 XJ6013 [1,0,0,0,1,0|2,0,0]=4