0 B9R0.45 CCCCCCCCCCl HL2250 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 CCCCCCCCCI LQ2646 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 CCCCCCCCCN XJ0441 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.45 CCCCCCCCCO HL1569 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 CCCCCCOCCO XJ0443 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.45 FCCCCCCCCBr LQ1077 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 ICCCCCCCCI LQ4434 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 NCCCCCCCCN XJ0715 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 NCCCCNCCCN LT7216 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.45 NCCNCCNCCN XJ0442 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.45 NCCOCCOCCN LQ1537 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.45 OCCCCCCCCCl LQ4379 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.45 OCCCCCCCCO LQ1257 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.4 CCCCCCCCBr XJ0418 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.4 CCCCCCCCC XJ0421 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.4 CCCCCCCCI LQ1253 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.4 CCCCCCCCN YH24980 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 CCCCCCCCS XJ0423 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.4 CCCCCCNCC JZ5362 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.4 CCCCCSCCO JZ5724 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.4 NCCCCCCCN XJ1217 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.4 NCCCCCCCO YH43193 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.4 NCCCCNCCO JZ5587 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.4 NCCCNCCCN LQ0039 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 NCCSCSCCN RT4962 [1,0,0,0,0,0|2,0,0]=3 25 B10R0.71 CCCCCCCCCCN XJ1998 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.71 NCCCCCCCCCN XJ1219 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.71 NCCCCNCCCCN RT0708 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.20 NC[C@@H]1CCCC[C@H]1CN LL1285 [0,0,0,1,0,0|2,0,0]=3 29 B10R1.20 NC[C@H]1CCCC[C@H]1CN LL1284 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.85 ClCCN1CCCCCC1 JZ1940 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.85 ClCCN1CCCCCC1 LQ4524 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.85 NCCN1CCCCCC1 YH66494 [0,0,0,1,0,0|2,0,0]=3 33 B7R0.1 CCCCCCCC XJ0405 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.1 CCCCCCCCl LQ1244 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.1 CCCCCCCN XJ0408 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.1 CCCCCCCS HL0937 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.1 CCCCCNCC JZ5218 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.1 CCCCNCCC LQ4205 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.1 CCCCOCCO XJ0413 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.1 CCNCCNCC XJ0412 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.1 CCOCCCCCl XJ5238 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.1 CCOCCCCO LT2386 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.1 ClCCCCCCI XJ5164 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.1 FCCCCCCBr XJ0714 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.1 ICCCCCCI LQ1246 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.1 N#CCCCCCN XJ2152 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.1 NCCCCCCBr RT0122 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.1 NCCCCCCN RT0396 [2,0,0,0,0,0|0,0,0]=2 49 B7R0.1 NCCCNCCBr YH48383 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.1 NCCCNCCN LQ3660 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.1 NCCCNCCO XJ2715 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.1 NCCCNCCS RT17267 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.1 NCCSSCCN LQ0038 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.1 NCCSSCCN LT4716 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.1 OCCCCCCCl LT3732 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.1 OCCCCCCS HL0924 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.1 OCCCNCCCl RT0430 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.1 SCCCCCCS JZ4451 [2,0,0,0,0,0|2,0,0]=4 59 B11R0.3 NCCCNCCNCCCN LQ3480 [0,2,0,0,0,0|0,0,0]=2 60 B11R0.106 NCC(=O)NCCNC(=O)CN RT5547 [0,2,0,0,0,0|0,0,2]=4 61 B9R1.8 BrCCN1CCOCC1 LX3103 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.8 CCCC1CCCCN1 LT0385 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.8 ClCCN1CCCCC1 LQ1947 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.8 ClCCN1CCCCC1 LT6058 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.8 ClCCN1CCOCC1 JZ2290 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.8 ClCCN1CCOCC1 XJ2523 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.8 NCCC1=CCCCC1 HL2542 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.8 NCCC1CCOCC1 YH12238 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.8 NCCN1CCNCC1 XJ0549 [1,0,0,1,0,0|0,0,0]=2 70 B9R1.8 NCCN1CCOCC1 XJ2031 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.8 OCCC1CCCCN1 HL0894 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.8 OCCC1CCCNC1 HL4509 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.8 OCCC1CCNCC1 JZ3997 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.8 OCCC1CNCCN1 YH55395 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.8 OCCN1CCCCC1 HL2424 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.8 OCCN1CCNCC1 RT15528 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.8 OCCN1CCOCC1 LT6885 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.8 OCC[C@@H]1CCCCN1 YH18874 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 OCC[C@H]1CCCCN1 RT3869 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.14 CCN1CCC[C@H]1CN RT3977 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.89 NCC1CCCCCC1 RT4713 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.103 C1CNCCNCCN1 JZ2559 [1,0,0,1,0,0|0,0,0]=2 83 B9R1.103 C1CNCCNCCN1 YH08737 [1,0,0,1,0,0|0,0,0]=2 84 B11R1.28 NCCCNC1CCCCC1 XJ2460 [0,1,0,1,0,0|2,0,0]=4