0 B11R1.24 COCCC1=CC(O)=CC=C1 RT10599 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.24 FCCOC1=CC(Br)=CC=C1 LT1466 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.24 OCCOC1=CC(O)=CC=C1 RT7314 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.10 CCCC1=CC(N)=NC=C1 HL4171 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [1,0,0,0,0,0|1,1,0]=3 8 B10R1.10 CCOC1=CC(Br)=CN=C1 YH39559 [1,0,0,0,0,0|2,1,0]=4 9 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.10 CCOC1=CC(F)=NC=C1 LX3150 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.10 CCOC1=CC=NC(N)=C1 XJ5598 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.10 CCOC1=CN=CC(N)=C1 LX2438 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,0,0,0,0,0|0,1,0]=2 15 B10R1.10 FC1=CC=CC(N=C=S)=C1 LQ0800 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [1,0,0,0,0,0|0,1,2]=4 17 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [1,0,0,0,0,0|0,1,2]=4 18 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [1,0,0,0,0,0|0,1,2]=4 19 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,0,0,0,0,0|0,0,2]=3 20 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,0,0,0,0,0|0,1,0]=2 23 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.10 O=C=NC1=CC(F)=CC=C1 LQ0799 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,0,0,0,0,0|1,1,0]=3 27 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [1,0,0,0,0,0|2,1,0]=4 29 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [1,0,0,0,0,0|2,0,1]=4 59 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 XJ0783 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 RT2728 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 RT0358 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 XJ0007 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 YH13662 [0,1,0,0,0,0|2,1,0]=4 64 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66650 [0,1,0,0,0,0|2,1,0]=4 65 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66666 [0,1,0,0,0,0|2,1,0]=4 66 B12R1.25 CCCOC1=CC=CC(F)=C1F LL2027 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.28 CCCCCC1=CC=CC(=O)O1 RT15380 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 HL0709 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 LL2312 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 HL0979 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 JZ3977 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 CJ2730 [0,1,0,0,0,0|2,1,0]=4 73 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 HL1832 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.374 CCNCC1=CC(N)=CC=C1O RT3657 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.374 O=CCCC1=CC(Cl)=CC=C1Cl RT5982 [0,1,0,0,0,0|2,1,0]=4 76 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 LT3465 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.385 CCCSC1=CC=C(N)C(N)=C1 LT3838 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 RT3129 [0,1,0,0,0,0|1,0,0]=2 79 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 YH46471 [0,0,0,1,0,0|0,1,0]=2 80 B12R2.24 BrC1=CC=C2CCNCC2=C1 YH40784 [0,0,0,1,0,0|2,1,0]=4 81 B12R2.24 CC1=CC2=C(C=C1)NCCC2 XJ0199 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 FC1=CC2=C(C=C1)OCCC2 RT8167 [0,0,0,1,0,0|2,0,0]=3 83 B12R2.24 NC1=CC2=C(C=C1)CCCN2 LT1147 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 NC1=CC2=C(C=C1)CNCC2 YH15702 [0,0,0,1,0,0|1,0,0]=2 85 B12R2.24 NC1=CC=C2CCCNC2=C1 YH36668 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 OC1=CC2=C(C=C1)CCCC2 LT3595 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.24 OC1=CC2=C(C=C1)CCCO2 CJ2931 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 OC1=CC2=C(C=C1)OCCC2 CJ2929 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 OC1=CC=C2CCCNC2=C1 YH08365 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 OC1=CC=C2NCCCC2=C1 LT6061 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 LX3278 [0,0,0,1,0,0|2,1,0]=4 92 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 LX2203 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29451 [0,0,0,1,0,0|2,1,0]=4 94 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 YH29819 [0,0,0,1,0,0|2,1,0]=4 95 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 YH56099 [0,0,0,1,0,0|2,1,0]=4 96 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 YH66130 [0,0,0,1,0,0|2,0,0]=3 97 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 XJ3186 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 HL2805 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JZ3361 [0,0,0,1,0,0|0,1,2]=4 100 B12R2.612 CN1C=CC2=CC(N)=CC=C21 HL3112 [0,0,0,1,0,0|1,0,2]=4 101 B12R2.612 CN1N=CC2=CC(Br)=CC=C21 YH02476 [0,0,0,1,0,0|1,1,1]=4 102 B12R2.612 CN1N=CC2=CC(N)=CC=C21 YH04063 [0,0,0,1,0,0|2,0,1]=4 103 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 LQ2490 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.612 NC1CCC2=CC(Br)=CC=C21 YH97266 [0,0,0,1,0,0|2,1,0]=4 105 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 LQ2487 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 XJ5153 [0,0,0,1,0,0|2,1,0]=4 107 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 YH01019 [0,0,0,1,0,0|2,1,0]=4 108 B12R2.612 O=C1CCC2=CC(F)=CC=C12 JZ4104 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.1081 BrC1=CC=CC2=C1CCNC2 YH19833 [0,0,0,1,0,0|2,1,0]=4 110 B12R2.1081 NC1=C2CCCCC2=CC=C1 XJ2066 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY0077 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.1081 NC1=CC=CC2=C1NCCC2 LT1041 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.1081 NC1=CN=CC2=C1CCCC2 RT1534 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.1081 OC1=CC=CC2=C1CC=CC2 XJ4966 [0,0,0,1,0,0|2,0,1]=4 115 B12R2.1081 OC1=CC=CC2=C1CNCC2 RT7770 [0,0,0,1,0,0|1,0,0]=2 116 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 RT9560 [0,0,0,1,0,0|0,1,0]=2 117 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 RT9559 [0,0,0,1,0,0|0,0,0]=1 118 B9R1.2 BrCC1=CC(Br)=CC=C1 LT6733 [2,0,0,0,0,0|1,1,0]=4 119 B9R1.2 C#CC1=CC(F)=CC=C1 LQ2245 [2,0,0,0,0,0|0,0,2]=4 120 B9R1.2 C=CC1=CC(F)=CC=C1 LT6798 [2,0,0,0,0,0|0,0,2]=4 121 B9R1.2 CC1=CC(CN)=CC=C1 LQ0295 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.2 CC1=CC(NN)=CC=C1 LL0975 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.2 CC1=NC=CC(CN)=C1 RT9263 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.2 CCC1=CC(C)=CC=C1 JZ3949 [2,0,0,0,0,0|1,0,0]=3 125 B9R1.2 CCC1=CC(Cl)=NC=C1 LT3331 [2,0,0,0,0,0|1,1,0]=4 126 B9R1.2 CCC1=CC=CC(Br)=C1 XJ2282 [2,0,0,0,0,0|0,1,0]=3 127 B9R1.2 CCC1=CC=CC(N)=C1 XJ1048 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.2 CCC1=CC=NC(Br)=C1 LT3312 [2,0,0,0,0,0|1,1,0]=4 130 B9R1.2 CCC1=CC=NC(N)=C1 LT3293 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.2 CNC1=CC=CC(C)=C1 LQ1364 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.2 COC1=CC(Br)=CC=C1 JZ1081 [2,0,0,0,0,0|1,1,0]=4 133 B9R1.2 COC1=CC(N)=CC=C1 RT2821 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.2 COC1=CC=CC(O)=C1 LQ0600 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.2 COC1=NC=CC(F)=C1 HL4973 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ2763 [2,0,0,0,0,0|1,1,0]=4 137 B9R1.2 CSC1=CC(Cl)=CC=C1 XJ4867 [2,0,0,0,0,0|1,1,0]=4 138 B9R1.2 CSC1=CC(I)=CC=C1 YH31373 [2,0,0,0,0,0|1,1,0]=4 139 B9R1.2 CSC1=CC=CC(F)=C1 XJ1274 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.2 CSC1=CC=CC(N)=C1 LT2494 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.2 FC1=CC=CC(CCl)=C1 HL1820 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.2 NCC1=CC(Br)=CC=C1 XJ3599 [2,0,0,0,0,0|0,1,0]=3 143 B9R1.2 NCC1=CC(I)=CC=C1 LQ1363 [2,0,0,0,0,0|0,1,0]=3 144 B9R1.2 NCC1=CC(N)=CC=C1 LT2553 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.2 NCC1=CC=CC(Cl)=C1 LT6763 [2,0,0,0,0,0|0,1,0]=3 146 B9R1.2 NNC1=CC=CC(Cl)=C1 HL2219 [2,0,0,0,0,0|1,1,0]=4 147 B9R1.2 NNC1=CC=CC(F)=C1 JZ2155 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.2 O=CC1=CC(F)=CC=C1 LT6791 [2,0,0,0,0,0|1,0,1]=4 149 B9R1.2 OC1=CC=CC(CCl)=C1 LT2488 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.2 OCC1=CC(Cl)=CC=C1 XJ1427 [2,0,0,0,0,0|1,1,0]=4 151 B9R1.2 OCC1=CC(F)=CC=C1 HL1821 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.2 OCC1=CC(I)=CC=C1 XJ5829 [2,0,0,0,0,0|1,1,0]=4 153 B9R1.2 OCC1=CC=CC(Br)=C1 LT6732 [2,0,0,0,0,0|1,1,0]=4 154 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.8 CCCC1=CC=NC=C1 LT3807 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.8 CCOC1=NC=CC=C1 LT1993 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.8 CNCC1=CC=CC=C1 RT3204 [2,0,0,0,0,0|0,0,0]=2 162 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.8 COCC1=CC=CN=C1 LQ5401 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [2,0,0,0,0,0|0,0,2]=4 166 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [2,0,0,0,0,0|0,0,2]=4 167 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 NCCC1=CC=NC=C1 YH11719 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 NNCC1=CC=CC=C1 LX3048 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.8 NOCC1=CC=CC=C1 LT5864 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [2,0,0,0,0,0|1,0,1]=4 176 B9R1.8 OCCC1=CC=CC=C1 YH43593 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 SCCC1=CC=NC=C1 RT10479 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 SCCC1=NC=CC=C1 RT10478 [2,0,0,0,0,0|2,0,0]=4 180 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [1,1,0,0,0,0|0,1,1]=4 181 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 YH05716 [1,1,0,0,0,0|0,1,0]=3 184 B11R1.23 NCC(O)C1=CC(O)=CC=C1 RT2781 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 XJ0840 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.34 N#CCC1=CC(F)=CC(Cl)=C1 LL2868 [1,1,0,0,0,0|0,0,2]=4 187 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 YH96519 [1,1,0,0,0,0|1,1,0]=4 188 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 LQ4107 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 LQ0740 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 HL3436 [1,1,0,0,0,0|1,1,0]=4 191 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 YH66558 [1,1,0,0,0,0|0,1,1]=4 192 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 LT3102 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 LL2065 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.182 CCOC1=CC(Cl)=CC=C1I LT3170 [1,1,0,0,0,0|1,1,0]=4 195 B11R1.182 CCOC1=CC(N)=CC=C1Br LL2988 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.182 NC1=CC=C(N)C(CCO)=C1 YH96767 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl YH42571 [1,1,0,0,0,0|1,1,0]=4 198 B11R1.189 CCOC1=CC(CO)=CC=C1 XJ6249 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.189 COC1=CC=CC(CCN)=C1 XJ2033 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.189 COC1=NC=CC(CCN)=C1 YH17803 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.192 CCOC1=CC=C(N)C(N)=C1 LT2364 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.192 CCOC1=CC=C(N)C(N)=C1 LT5847 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.192 N#CCC1=CC=C(Cl)C(F)=C1 YH49508 [1,1,0,0,0,0|0,0,2]=4 204 B11R1.192 N#CCC1=CC=C(F)C(F)=C1 XJ1278 [1,1,0,0,0,0|0,0,2]=4 205 B11R1.192 NCCC1=CC(O)=C(O)C=C1 XJ0012 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.192 NCCC1=CC(S)=C(O)C=C1 RT16281 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 RT10962 [1,1,0,0,0,0|1,1,0]=4 208 B11R1.1 C(=O)CCC1=CC=C(Cl)C=C1 YH17360 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.1 ClC1=CC=C(CCCBr)C=C1 CJ2951 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.1 OCCCC1=CC=C(Br)C=C1 XJ4838 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.16 N#CCC(O)C1=CC=CC=C1 RT6095 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.17 COCCC1=CC=CC=C1O RT11073 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [1,1,0,0,0,0|0,0,1]=3 235 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [1,1,0,0,0,0|0,0,2]=4 244 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [1,1,0,0,0,0|0,0,2]=4 253 B11R1.40 CNC(C)CC1=CC=CN=C1 RT1972 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [1,1,0,0,0,0|2,0,0]=4 265 B13R1.12 CNC[C@H](O)C1=CC=CC(O)=C1Br RT1880 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 RT3504 [0,2,0,0,0,0|1,0,0]=3 267 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 CJ2509 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.446 CNCC(O)C1=CC(O)=CC=C1Br RT3619 [0,2,0,0,0,0|1,0,0]=3 269 B13R1.446 CNC[C@H](O)C1=CC(O)=CC=C1Br RT1881 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HL1306 [0,2,0,0,0,0|1,0,1]=4 271 B13R1.466 CNCC(O)C1=CC(O)=C(Br)C=C1 RT3620 [0,2,0,0,0,0|1,0,0]=3 272 B13R1.466 CNC[C@H](O)C1=CC(O)=C(Br)C=C1 RT1882 [0,2,0,0,0,0|1,0,0]=3 273 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 HL1020 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 HL1021 [0,2,0,0,0,0|1,0,0]=3 275 B13R1.55 CCCCCC1=CC(O)=CC(O)=C1 XJ0847 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O JZ1089 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O JZ1088 [0,2,0,0,0,0|2,0,0]=4 278 B11R2.35 ClC1=CC(C2CO2)=CC=C1 LQ5277 [1,0,0,1,0,0|1,1,0]=4 279 B11R2.35 ClC1=CC([C@@H]2CO2)=CC=C1 XJ5947 [1,0,0,1,0,0|1,1,0]=4 280 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH30587 [1,0,0,1,0,0|0,1,0]=3 281 B11R2.36 BrC1=CC2=C(C=C1)CNC2 YH95781 [1,0,0,1,0,0|0,1,0]=3 282 B11R2.36 BrC1=CC2=C(C=C1)NCC2 JZ5527 [1,0,0,1,0,0|0,1,0]=3 283 B11R2.36 BrC1=CC=C2CCNC2=C1 LX2857 [1,0,0,1,0,0|1,1,0]=4 284 B11R2.36 CC1=CC2=C(C=C1)NCC2 YH12422 [1,0,0,1,0,0|1,0,0]=3 285 B11R2.36 ClC1=CC2=C(C=C1)NCC2 XJ4859 [1,0,0,1,0,0|0,1,0]=3 286 B11R2.36 ClC1=CC=C2CCCC2=N1 YH26825 [1,0,0,1,0,0|1,1,0]=4 287 B11R2.36 FC1=CC2=C(C=C1)CCC2 RT10570 [1,0,0,1,0,0|0,0,0]=2 288 B11R2.36 FC1=CC2=C(C=C1)NN=C2 LQ0710 [1,0,0,1,0,0|1,0,1]=4 289 B11R2.36 FC1=CC=C2CNCC2=C1 YH08025 [1,0,0,1,0,0|0,0,0]=2 290 B11R2.36 FC1=CC=C2NC=CC2=C1 LQ0746 [1,0,0,1,0,0|0,0,2]=4 291 B11R2.36 FC1=CC=C2OCCC2=C1 HL3917 [1,0,0,1,0,0|1,0,0]=3 292 B11R2.36 NC1=CC2=C(C=C1)CCC2 YH49019 [1,0,0,1,0,0|1,0,0]=3 293 B11R2.36 NC1=CC2=C(C=C1)COC2 YH10378 [1,0,0,1,0,0|2,0,0]=4 294 B11R2.36 NC1=CC=C2CCNC2=C1 YH51733 [1,0,0,1,0,0|2,0,0]=4 295 B11R2.36 OC1=CC2=C(C=C1)CCN2 YH01995 [1,0,0,1,0,0|2,0,0]=4 296 B11R2.36 OC1=CC2=C(C=C1)CNC2 YH66673 [1,0,0,1,0,0|1,0,0]=3 297 B11R2.106 BrC1=CC=CC2=C1CCO2 RT9936 [1,0,0,1,0,0|1,1,0]=4 298 B11R2.106 FC1=C2NC=CC2=CC=C1 YH58579 [1,0,0,1,0,0|0,0,2]=4 299 B11R2.106 FC1=CC=CC2=C1CCN2 YH65847 [1,0,0,1,0,0|1,0,0]=3 300 B11R2.106 OC1=C2CCOC2=CC=C1 YH34935 [1,0,0,1,0,0|2,0,0]=4 301 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,1,0,0|1,0,1]=4 302 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [1,0,0,1,0,0|2,0,0]=4 303 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [1,0,0,1,0,0|0,0,2]=4 304 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [1,0,0,1,0,0|0,0,0]=2 305 B11R2.1 CN1N=CC2=C1C=CC=C2 XJ3909 [1,0,0,1,0,0|1,0,1]=4 306 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [1,0,0,1,0,0|2,0,0]=4 307 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [1,0,0,1,0,0|2,0,0]=4 309 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,1,0,0|2,0,0]=4 310 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [1,0,0,1,0,0|2,0,0]=4 311 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [1,0,0,1,0,0|1,0,0]=3 312 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [1,0,0,1,0,0|2,0,0]=4 313 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [1,0,0,1,0,0|2,0,0]=4 314 B11R2.20 C1=NC=C2CCNCC2=N1 YH18693 [1,0,0,1,0,0|2,0,0]=4 315 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [1,0,0,1,0,0|1,0,0]=3 316 B11R2.20 C1=NC=C2CNCCC2=N1 YH43243 [1,0,0,1,0,0|2,0,0]=4 317 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [1,0,0,1,0,0|2,0,0]=4 318 B11R2.239 C1=CC=C(C2CNC2)C=C1 RT7923 [1,0,0,1,0,0|0,0,0]=2 319 B13R2.13 BrC1=CC=CC(C2CCCN2)=C1 YH58333 [0,1,0,1,0,0|1,1,0]=4 320 B13R2.13 FC1=CC(C2CCNC2)=CC=C1 LL2040 [0,1,0,1,0,0|0,0,0]=2 321 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 YH95829 [0,1,0,1,0,0|1,0,0]=3 322 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 YH95828 [0,1,0,1,0,0|1,0,0]=3 323 B13R2.13 FC1=CC=CC(C2CCCN2)=C1 LX2427 [0,1,0,1,0,0|1,0,0]=3 324 B13R2.162 NC1=C2CC(O)CCC2=CC=C1 YH10651 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 YH90668 [0,1,0,1,0,0|1,1,0]=4 326 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 YH34548 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.162 OC1=CC2=C(C=C1)CNCC2O RT7840 [0,1,0,1,0,0|1,0,0]=3 328 B13R2.342 OC1=CC=CC2=C1CNCC2O RT7839 [0,1,0,1,0,0|1,0,0]=3 329 B13R2.342 OC1CCCC2=C1C=CC=C2Br YH95827 [0,1,0,1,0,0|1,1,0]=4 330 B13R2.32 OC1=C(Br)C2=C(C=C1)CNCC2 YH65455 [0,1,0,1,0,0|1,0,0]=3 331 B13R2.3021 BrC1=CC(CC2CNC2)=CC=C1 RT10019 [0,1,0,1,0,0|0,1,0]=3 332 B13R2.4818 CN1C=CCC2=C1C(O)=CC=C2 JZ4872 [0,1,0,1,0,0|1,0,1]=4 333 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 RT2455 [0,1,0,1,0,0|1,0,1]=4 334 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 YH66325 [0,1,0,1,0,0|1,1,0]=4 335 B13R2.5179 O=C1CCCC2=CC(F)=CC=C12 LX2938 [0,1,0,1,0,0|1,0,1]=4 336 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 YH66658 [0,1,0,1,0,0|0,0,1]=3 337 B13R2.5179 O=C1NCCC2=CC(Br)=CC=C12 RT2428 [0,1,0,1,0,0|0,1,1]=4 338 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O YH00452 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.140 FC1=CC(F)=CC(C2CNC2)=C1 RT9557 [0,1,0,1,0,0|0,0,0]=2 340 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 CJ2540 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 XJ2654 [0,1,0,1,0,0|1,1,0]=4 342 B13R2.371 FC1=CC=C(F)C2=C1CCNC2 YH66612 [0,1,0,1,0,0|0,0,0]=2 343 B13R2.369 NC1=CC2=C(C=C1F)CNCC2 YH30072 [0,1,0,1,0,0|1,0,0]=3 344 B13R2.369 OC1=CC2=C(C=C1O)CNCC2 LT0754 [0,1,0,1,0,0|1,0,0]=3 345 B13R2.522 N[C@@H]1CC1C2=CC(F)=C(F)C=C2 RT1805 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.522 N[C@@H]1CC1C2=CC(F)=C(F)C=C2 YH47023 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.1066 FC1=CC=C(C2CNC2)C=C1F RT9558 [0,1,0,1,0,0|0,0,0]=2 348 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 LL2361 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.11634 O=C1CCC2=CC(F)=C(F)C=C12 YH37976 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.12 CCCCC1=CSC=C1 CJ2145 [1,0,0,0,1,0|2,0,0]=4 351 B9R1.12 CNCCC1=CNC=N1 HL0326 [1,0,0,0,1,0|2,0,0]=4