0 B14R2.5637 CC1CNCCC2=CC=C(Cl)C=C21 LX2839 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.5637 C[C@H]1CNCCC2=CC=C(Cl)C=C21 RT1766 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.5637 C[C@H]1CNCCC2=CC=C(Cl)C=C21 YH89096 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.5637 O=C1CCCCC2=CC=C(Br)C=C12 YH65592 [0,0,0,0,0,0|2,1,1]=4 4 B13R2.5252 CN1CCCNC2=CC=CC=C21 RT7769 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.5252 O=C1CCCCC2=CC=CC=C12 JZ4201 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.9 CCCCCCC1=CC=C(O)C=C1 LT3079 [0,0,1,0,0,0|2,0,0]=3 7 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 RT3504 [0,0,1,0,0,0|2,0,0]=3 8 B13R1.141 CC(C)C1=CC(Cl)=CC=C1CC#N XJ1990 [0,0,1,0,0,0|0,0,2]=3 9 B13R1.446 CNCC(O)C1=CC(O)=CC=C1Br RT3619 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.446 CNC[C@H](O)C1=CC(O)=CC=C1Br RT1881 [0,0,1,0,0,0|3,0,0]=4 11 B13R2.162 CN1CCCC2=C1C=C(N)C=C2 LT1148 [0,0,0,0,1,0|2,0,0]=3 12 B13R2.162 CN1CCCC2=CC=C(N)C=C21 LT5991 [0,0,0,0,1,0|2,0,0]=3 13 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 YH90668 [0,0,0,0,1,0|1,1,0]=3 14 B13R2.162 OC1=CC2=C(C=C1)CNCC2O RT7840 [0,0,0,0,1,0|2,0,0]=3 15 B12R1.1 CCCCCC1=CC=C(Br)C=C1 LT0070 [1,0,1,0,0,0|0,1,0]=3 16 B12R1.1 CCCCCC1=CC=C(O)C=C1 JZ4991 [1,0,1,0,0,0|1,0,0]=3 17 B12R1.1 CCCCOC1=CC=C(N)C=C1 JZ2480 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.1 CCCCOC1=CC=C(O)C=C1 SY0106 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.1 OCCNCC1=CC=C(F)C=C1 LX3035 [1,0,1,0,0,0|1,1,0]=4 20 B12R1.8 CCCCCCC1=CC=CC=C1 JZ4393 [1,0,1,0,0,0|1,0,0]=3 21 B12R1.8 CCCCCCC1=CC=CN=C1 LQ3047 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.8 CCCCOCC1=CC=CC=C1 HL0050 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 RT0358 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 XJ0007 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 YH13662 [1,0,1,0,0,0|2,0,0]=4 26 B12R2.41 C1=CC=C2CCNCCC2=C1 XJ2659 [2,0,0,0,0,0|0,0,0]=2 27 B14R1.774 CCCCCCC1=CC=C(O)C=C1O LL0573 [0,1,1,0,0,0|2,0,0]=4 28 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 YH65765 [1,1,0,0,0,0|1,0,1]=4 29 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 YH50879 [0,0,1,1,0,0|2,0,0]=4 30 B14R2.68 FC1=CC=C(C2CNCCN2)C=C1 YH66617 [0,0,1,1,0,0|1,1,0]=4 31 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 YH98901 [0,0,1,1,0,0|2,0,0]=4 32 B14R2.306 OC1=CC=C(Cl)C=C1C2CCCC2 RT6052 [0,0,1,1,0,0|2,0,0]=4 33 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 YH46471 [1,0,0,0,1,0|0,1,0]=3 34 B12R2.24 BrC1=CC=C2CCNCC2=C1 YH40784 [1,0,0,0,1,0|0,1,0]=3 35 B12R2.24 CC1=CC2=C(C=C1)NCCC2 XJ0199 [1,0,0,0,1,0|2,0,0]=4 36 B12R2.24 FC1=CC2=C(C=C1)OCCC2 RT8167 [1,0,0,0,1,0|1,1,0]=4 37 B12R2.24 NC1=CC2=C(C=C1)CCCN2 LT1147 [1,0,0,0,1,0|2,0,0]=4 38 B12R2.24 NC1=CC2=C(C=C1)CNCC2 YH15702 [1,0,0,0,1,0|1,0,0]=3 39 B12R2.24 NC1=CC=C2CCCNC2=C1 YH36668 [1,0,0,0,1,0|2,0,0]=4 40 B12R2.24 OC1=CC2=C(C=C1)CCCC2 LT3595 [1,0,0,0,1,0|1,0,0]=3 41 B12R2.24 OC1=CC2=C(C=C1)CCCO2 CJ2931 [1,0,0,0,1,0|2,0,0]=4 42 B12R2.24 OC1=CC2=C(C=C1)OCCC2 CJ2929 [1,0,0,0,1,0|2,0,0]=4 43 B12R2.24 OC1=CC=C2CCCNC2=C1 YH08365 [1,0,0,0,1,0|2,0,0]=4 44 B12R2.24 OC1=CC=C2NCCCC2=C1 LT6061 [1,0,0,0,1,0|2,0,0]=4 45 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [1,0,0,0,1,0|1,0,0]=3 46 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [1,0,0,0,1,0|0,0,0]=2 47 B12R2.1081 NC1CCNC2=CC=CC=C21 YH65897 [1,0,0,0,1,0|2,0,0]=4 48 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [1,0,0,0,1,0|2,0,0]=4 49 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [1,0,0,0,1,0|1,0,0]=3 50 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [1,0,0,0,1,0|1,0,0]=3 51 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [1,0,0,0,1,0|1,0,0]=3 52 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 YH57498 [1,0,0,0,1,0|2,0,0]=4 53 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [1,0,0,0,1,0|1,0,1]=4 54 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [1,0,0,0,1,0|1,0,1]=4 55 B12R2.1081 OC1CCCC2=C1C=CC=N2 YH65731 [1,0,0,0,1,0|2,0,0]=4 56 B12R2.1081 OC1CCCC2=CC=CN=C21 YH35264 [1,0,0,0,1,0|2,0,0]=4 57 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [1,0,0,0,1,0|2,0,0]=4 58 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [1,0,0,0,1,0|1,0,0]=3 59 B12R2.132 NC1CCC2=CC=C(Br)C=C21 YH94710 [0,0,0,0,2,0|1,1,0]=4 60 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 RT1823 [0,0,0,0,2,0|2,0,0]=4 61 B12R2.132 N[C@@H]1CCC2=CC=C(F)C=C21 YH19003 [0,0,0,0,2,0|1,1,0]=4