0 B9R1.12 BrCCCN1C=CC=C1 YH20609 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.12 CCCCC1=CSC=C1 CJ2145 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 CCCCC1=NC=CN1 YH04182 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 CCCCN1C=CN=C1 LQ2667 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.12 CNCCC1=CNC=N1 HL0326 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 CSSCC1=CC=CO1 XJ5836 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.12 O=CSCC1=CC=CO1 LT5479 [0,0,0,0,0,0|1,1,1]=3 7 B9R1.12 O=C\C=C\C1=CC=CO1 JZ1034 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.8 CCOC1=NC=CS1 LT1725 [1,0,0,0,0,0|1,1,0]=3 9 B8R1.8 CNCC1=CC=NO1 YH59432 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.8 CNCC1=NC=CS1 YH34770 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.8 CSCC1=CC=CO1 LT5048 [1,0,0,0,0,0|0,1,0]=2 12 B8R1.8 ClCCC1=CNC=N1 YH65151 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 N#CCC1=CC=CS1 LT2195 [1,0,0,0,0,0|1,1,1]=4 14 B8R1.8 N#CCC1=CC=NO1 RT9281 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 N#CCC1=NC=CO1 RT9280 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 NCCC1=CC=NN1 RT1410 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 NCCC1=CNC=N1 HL1018 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 NCCC1=CNC=N1 LQ0056 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 OCCC1=CC=CS1 LT0210 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.8 OCCC1=CNC=N1 XJ1421 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [0,1,0,0,0,0|1,1,1]=4 22 B10R1.11 CCOC(=O)C1=CC=CN1 LX2718 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [0,1,0,0,0,0|0,1,1]=3 24 B10R1.11 CCOC(=O)C1=CNC=N1 XJ4741 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.11 CCOC(=O)C1=CSC=N1 LQ3748 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.11 CCOC(=O)C1=NC=CN1 LQ4757 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.11 OC(CCCl)C1=CC=CS1 YH65507 [0,1,0,0,0,0|2,1,0]=4 28 B10R1.16 CC1=NOC(CCCCl)=C1 RT15315 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.16 CCCCC1=NC=C(Cl)N1 RT14105 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.16 CCCCC1=NC=C(O)N1 RT14079 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.21 CCCCCC1=CC=CO1 HL2632 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.27 CNC(C)CC1=CC=CS1 RT4640 [0,1,0,0,0,0|2,1,0]=4 33 B10R1.66 CC(=O)OCC1=CC=CO1 LT5083 [0,1,0,0,0,0|0,0,1]=2 34 B10R1.66 CC(=O)SCC1=CC=CO1 LT5373 [0,1,0,0,0,0|0,1,1]=3 35 B10R1.66 CC(=O)\C=C/C1=CC=CO1 HL3203 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.66 CC(C)SCC1=CC=CO1 LT5478 [0,1,0,0,0,0|0,1,0]=2 37 B8R0.1 C=CCC(O)CCCC LQ5051 [0,0,1,0,0,0|1,0,2]=4 38 B8R0.1 CCOCC(=O)OCC LQ1457 [0,0,1,0,0,0|1,0,2]=4 39 B8R0.4 CCC\C=C\C=C\C=O LT5073 [0,0,1,0,0,0|1,0,2]=4 40 B10R2.7 C1=CC2=C(CCNC2)S1 LX2686 [0,0,0,1,0,0|2,1,0]=4 41 B10R2.7 C1=NNC2=C1CCCC2 HL2213 [0,0,0,1,0,0|3,0,0]=4 42 B10R2.7 C1=NNC2=C1CCNC2 YH96437 [0,0,0,1,0,0|3,0,0]=4 43 B10R2.7 C1=NOC2=C1CNCC2 YH49714 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [0,0,0,0,0,1|2,0,0]=3 53 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [0,0,0,0,0,1|2,0,0]=3 54 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.17 COCCC1=NC=CC=C1 LT3761 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [0,0,0,0,0,1|2,1,0]=4 61 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [0,0,0,0,0,1|3,0,0]=4 64 B7R0.1 CCC\C=C/CCO JZ4690 [1,0,1,0,0,0|0,0,2]=4 65 B7R0.1 CC\C=C\C=C\C=O LQ2607 [1,0,1,0,0,0|0,0,2]=4 66 B7R0.1 CC\C=C\C=C\CO RT14062 [1,0,1,0,0,0|0,0,2]=4 67 B7R0.3 CCOCC(=O)OC RT17745 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.7 C=C(OCC)OCC YH65772 [1,0,1,0,0,0|0,0,2]=4 69 B7R0.7 C=CCC(O)CCC JZ2295 [1,0,1,0,0,0|0,0,2]=4 70 B7R0.7 CCOC(=O)\C=C/Br YH66073 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.7 C\C=C\C(O)CCC JZ2612 [1,0,1,0,0,0|0,0,2]=4 72 B7R1.1 CCC1=CC=CS1 XJ1420 [2,0,0,0,0,0|0,1,0]=3 73 B7R1.1 CCC1=NC=CN1 LT6532 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.1 COC1=CC=CO1 XJ4809 [2,0,0,0,0,0|0,0,0]=2 75 B7R1.1 COC1=NC=CS1 JZ1049 [2,0,0,0,0,0|1,1,0]=4 76 B7R1.1 ClCC1=CC=CS1 LT1710 [2,0,0,0,0,0|1,1,0]=4 77 B7R1.1 ClCC1=NC=CO1 YH65723 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.1 NCC1=CC=CO1 RT4371 [2,0,0,0,0,0|1,0,0]=3 79 B7R1.1 NCC1=CC=CS1 LT5820 [2,0,0,0,0,0|1,1,0]=4 80 B7R1.1 NCC1=NC=CO1 YH92552 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.1 OCC1=CC=CN1 RT14126 [2,0,0,0,0,0|1,0,0]=3 82 B7R1.1 OCC1=CC=CO1 XJ0217 [2,0,0,0,0,0|0,0,0]=2 83 B7R1.1 OCC1=CN=CS1 LT6037 [2,0,0,0,0,0|1,1,0]=4 84 B7R1.1 OCC1=CNC=C1 RT14164 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 OCC1=CNC=N1 LT5215 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.1 OCC1=CNC=N1 LT6077 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.1 OCC1=CSC=C1 LT2643 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.1 OCC1=NC=CN1 YH57629 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.1 OCC1=NC=CS1 LQ3757 [2,0,0,0,0,0|1,1,0]=4 90 B7R1.1 OCC1=NNC=C1 JZ5592 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.1 SCC1=CC=CO1 LL2412 [2,0,0,0,0,0|0,1,0]=3 92 B9R0.2 C\C=C\C=C\COC(C)=O LQ1809 [0,1,1,0,0,0|1,0,1]=4 93 B9R1.7 CCCC1=CC(N)=NN1 LQ5499 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.7 CCOC1C=CC(=O)O1 YH51815 [1,1,0,0,0,0|0,0,1]=3 95 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [1,1,0,0,0,0|0,0,1]=3 97 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [1,1,0,0,0,0|0,1,1]=4 98 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [1,1,0,0,0,0|0,1,1]=4 99 B9R1.11 CCC(C)C1=NC=CS1 XJ4408 [1,1,0,0,0,0|1,1,0]=4 100 B9R1.11 CNC(C)C1=CC=CS1 HL3673 [1,1,0,0,0,0|1,1,0]=4 101 B9R1.11 COC(=O)C1=CC=CO1 LX2989 [1,1,0,0,0,0|0,0,1]=3 102 B9R1.11 CSC(=O)C1=CC=CO1 JZ4812 [1,1,0,0,0,0|0,1,1]=4 103 B9R1.13 CC(=O)CC1=CC=CN1 RT14091 [1,1,0,0,0,0|1,0,1]=4 104 B9R1.13 CC(C)CC1=NC=CS1 JZ1045 [1,1,0,0,0,0|1,1,0]=4 105 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.16 CCNC(C)C1=CC=CN=C1 RT2509 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,1,0,0,0,1|1,0,1]=4 112 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,1,0,0,0,1|1,0,1]=4 114 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [0,1,0,0,0,1|1,0,1]=4 115 B11R1.16 CCOC(=O)C1=CCC=CC1 RT16430 [0,1,0,0,0,1|1,0,1]=4 116 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.16 CCOC(=O)C1=NC=NC=C1 XJ5992 [0,1,0,0,0,1|1,0,1]=4 118 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [0,1,0,0,0,1|1,0,1]=4 120 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [0,1,0,0,0,1|1,0,1]=4 121 B11R1.28 CCCCCC1=CN=CC=N1 LQ3034 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [0,1,0,0,0,1|1,0,0]=3 126 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [0,1,0,0,0,1|1,0,0]=3 129 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [0,1,0,0,0,1|1,0,1]=4 133 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [0,1,0,0,0,1|1,1,0]=4 137 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [0,1,0,0,0,1|1,1,0]=4 138 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.29 CNCCC(O)C1=CC=CS1 RT2121 [0,2,0,0,0,0|1,1,0]=4 140 B11R1.29 CNCC[C@H](O)C1=CC=CS1 HL3304 [0,2,0,0,0,0|1,1,0]=4 141 B11R1.199 CCOC(=O)C1=C(C)C=CN1 YH54651 [0,2,0,0,0,0|1,0,1]=4 142 B11R1.199 CCOC(=O)C1=C(N)C=CN1 LT5971 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.75 CC(=O)OCC1=CC(C)=NO1 RT14193 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.25 CCC(=O)OCC1=CC=CO1 XJ1137 [0,2,0,0,0,0|0,0,0]=2 145 B11R1.25 CCC(=S)OCC1=CC=CO1 LT5719 [0,2,0,0,0,0|0,0,0]=2 146 B9R1.2 CCC1=CC=CC(O)=C1 YH10409 [0,0,1,1,0,0|1,0,1]=4 147 B11R2.1 CC1CCC2=NC=CN=C21 LT3758 [0,0,0,1,0,1|2,0,0]=4 148 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [0,0,0,1,0,1|2,0,0]=4 149 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [0,0,0,1,0,1|2,0,0]=4 150 B11R2.20 C1=CN=C2CCCCC2=N1 LT3813 [0,0,0,1,0,1|2,0,0]=4 151 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [0,0,0,1,0,1|2,0,0]=4 152 B11R2.20 C1=NC=C2CCNCC2=N1 YH18693 [0,0,0,1,0,1|2,0,0]=4 153 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [0,0,0,1,0,1|2,0,0]=4 154 B11R2.237 C1=CSC(CC2CNC2)=C1 RT10384 [0,1,0,1,0,0|1,1,0]=4