0 B9R0.45 C#CCCCCCCCO MC424005 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.45 CCCCCCCCNC CS15827 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 ClCCCCCCCCCl CS20556 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 OCCCCCCCCBr CS14609 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.45 OCCCCCCCCO CS20567 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 OCCOCCOCCO CS20932 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.4 C#CCCCCCCO CS10833 [1,0,0,0,0,0|0,0,3]=4 7 B8R0.4 CCCCCOCCO MC437002 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.4 CCCCNCCCC CS11229 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.4 OCCCCCCCBr CS13415 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.4 OCCCNCCCO CS21826 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.1 CCCCCCC(C)CCBr MC112334 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.1 CCCCCCC(C)CCO MC112333 [0,1,0,0,0,0|0,0,2]=3 14 B10R0.4 CCCCCCCCB(O)O MC31112 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.4 CCCCCCCCC(C)C CS21688 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.4 CCCCCC\C=C\B(O)O MC425764 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.71 BrCCCCCCCCCBr CS20559 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.71 ClCCCCCCCCCCl CS20560 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.74 COC(=O)CCCCCCN CS14288 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.17 CCCCC1CCNCC1 CS14224 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.17 CCNCC1CCCCC1 MC431466 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.17 ICCCC1CCCCC1 MC111977 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.17 OCCCN1CCOCC1 CS19670 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.20 OCC1CCCCC1CO MC31260 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.21 OCCCCN1C=CC=N1 MC103358 [0,0,0,1,0,0|2,0,1]=4 26 B7R0.1 BrCCCCCCBr CS20550 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.1 C#CCCCCCO CS10705 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.1 C=CCCCCCBr CS19607 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.1 OCCCCCCBr CS14335 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.2 O=C(O)CCCCCCO CS10820 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.5 CCCCCC(C)CCBr MC112329 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.5 CCCCCC(C)CCO MC112328 [1,1,0,0,0,0|0,0,1]=3 33 B9R0.5 CCOC(=O)CCCCBr CS13726 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.5 CCOC(=O)CCCCN CS14354 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.18 CCCCC(N)CCCC MC428161 [1,1,0,0,0,0|0,0,2]=4 36 B9R0.46 COC(=O)CCCCCN CS11662 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.4 CCCCCCCC(=O)OCC CS14101 [0,2,0,0,0,0|1,0,1]=4 38 B11R0.4 CCOC(=O)CCCCCCN CS14103 [0,2,0,0,0,0|1,0,1]=4 39 B11R0.155 CCOC(=O)C(N)CCCCN MC437850 [0,2,0,0,0,0|2,0,0]=4 40 B11R0.161 CCCCCCC(CC)CCO MC112335 [0,2,0,0,0,0|0,0,2]=4 41 B11R0.3 CCCCCCCCOCCO MC437001 [0,2,0,0,0,0|0,0,2]=4 42 B11R0.3 CCCCCOCCOCCO MC436946 [0,2,0,0,0,0|0,0,2]=4 43 B9R1.8 CCNC1CCCCC1 CS11778 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.8 NCCC1CCCCC1 CS18358 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.8 NCCC1CCOCC1 MC20509 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 OCCC1CCCCN1 CS13732 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.8 OCCC1CCCCN1 CS17564 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.8 OCCC1CCCCN1 MC445188 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.8 OCCN1CCNCC1 CS13442 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.8 OCCN1CCOCC1 CS11708 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.8 OCCN1CCSCC1 CS18622 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.12 CCCCC1C=CC=C1 MC114482 [1,0,0,1,0,0|0,0,2]=4 53 B9R1.14 CCN1CCCC1CN CS10140 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.15 CN1CCCCC1CO CS16091 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.15 CN1CCCCC1CO CS16092 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.15 CN1CCCCC1CO CS18858 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.89 OCC1CCCCNC1 MC105285 [1,0,0,1,0,0|1,0,1]=4 58 B11R1.4 OCCCCOC1CCCO1 MC106866 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.16 CCOC(=O)C1CCCCN1 CS20536 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.16 CCOC(=O)C1CNCCO1 MC100212 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.30 CCOC(=O)CC1CCCO1 MC20752 [0,1,0,1,0,0|1,0,0]=3 62 B11R1.199 CCOC(=O)C1NCCC1O MC103072 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.1 CN1CCC(CCCO)CC1 MC443703 [0,1,0,1,0,0|1,0,1]=4 64 B11R2.36 OC1CCC2CNCC2C1 MC105553 [0,0,0,2,0,0|1,0,1]=4 65 B11R2.36 OC1CCC2CNCC2C1 MC105554 [0,0,0,2,0,0|1,0,1]=4 66 B11R2.1261 C1CNCC2(C1)CCCO2 MC104484 [0,0,0,2,0,0|1,0,1]=4 67 B11R2.1261 C1COC2(C1)CCNCC2 CS12148 [0,0,0,2,0,0|1,0,1]=4