0 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,0,0,0|0,0,0]=1 1 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,1,0,0,0,0|2,0,1]=4 2 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 HY-W038877 [0,1,0,0,0,0|2,0,0]=3 3 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,0,1,0,0,0|3,0,0]=4 4 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,0,1,0,0,0|1,0,0]=2 5 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,0,1,0,0,0|3,0,0]=4 6 B8R0.6 CCCCCC(O)CC HY-W099689 [0,0,1,0,0,0|1,0,2]=4 7 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,0,1,0,0,0|1,0,2]=4 8 B8R0.7 CC(=O)NCCCCN HY-113100 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,0,1,0,0,0|1,0,0]=2 11 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,0,1,0,0,0|2,0,0]=3 12 B8R0.7 NCCOCCC(=O)O HY-140002 [0,0,1,0,0,0|2,0,0]=3 13 B8R0.7 O=C(O)CCOCCO HY-116655 [0,0,1,0,0,0|2,0,0]=3 14 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,0,1,0,0,0|3,0,0]=4 15 B7R0.1 CCCCCCCO HY-W099504 [1,0,1,0,0,0|0,0,1]=3 16 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,0,1,0,0,0|0,0,2]=4 17 B7R0.1 NCCCCCCO HY-W007957 [1,0,1,0,0,0|1,0,1]=4 18 B7R0.1 OCCCCCCBr HY-W016455 [1,0,1,0,0,0|1,0,1]=4 19 B7R0.1 OCCCCCCCl HY-41681 [1,0,1,0,0,0|1,0,1]=4 20 B7R0.1 OCCCCCCO HY-W010505 [1,0,1,0,0,0|1,0,1]=4 21 B7R0.3 CCCCC(=O)NN HY-W012890 [1,0,1,0,0,0|2,0,0]=4 22 B7R0.3 COC(=O)CCCBr HY-W004701 [1,0,1,0,0,0|2,0,0]=4 23 B7R0.3 COC(=O)CCCN HY-79594 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,0,1,0,0,0|2,0,0]=4 25 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,0,1,0,0,0|2,0,0]=4 26 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,0,1,0,0,0|0,0,0]=2 27 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,1,0,0,0|0,0,2]=4 28 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,1,0,0,0|1,0,1]=4 29 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,1,0,0,0|0,0,2]=4 30 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,1,0,0,0|0,0,2]=4 31 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,1,0,0,0|1,0,0]=3 32 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,1,0,0,0|1,0,0]=3 36 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.4 O=C(O)COCCS HY-140730 [1,0,1,0,0,0|2,0,0]=4 38 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [2,0,0,0,0,0|1,0,1]=4 39 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [2,0,0,0,0,0|1,0,1]=4 40 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [2,0,0,0,0,0|0,0,2]=4 41 B7R1.2 CC1CCC(=O)O1 HY-W015938 [2,0,0,0,0,0|0,0,0]=2 42 B7R1.2 O=C1CCC(=O)O1 HY-79369 [2,0,0,0,0,0|1,0,1]=4 43 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,1,1,0,0,0|2,0,0]=4 44 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,1,1,0,0,0|0,0,1]=3 45 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,1,1,0,0,0|2,0,0]=4 46 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,1,1,0,0,0|0,0,0]=2 47 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,1,1,0,0,0|0,0,0]=2 48 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [0,1,1,0,0,0|0,0,1]=3 49 B9R0.2 COCCOCCC(=O)O HY-130231 [0,1,1,0,0,0|1,0,0]=3 50 B9R0.2 COCCOCCC(=O)O HY-133324 [0,1,1,0,0,0|1,0,0]=3 51 B9R0.2 NCCSSCCC(=O)O HY-140096 [0,1,1,0,0,0|2,0,0]=4 52 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,1,1,0,0,0|0,0,0]=2 53 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [0,1,1,0,0,0|2,0,0]=4 54 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,1,1,0,0,0|0,0,0]=2 56 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,1,1,0,0,0|1,0,1]=4 57 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,1,1,0,0,0|1,0,1]=4 58 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,1,1,0,0,0|1,0,1]=4 59 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,1,1,0,0,0|1,0,1]=4 60 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.24 CCCCC1CCCC(=O)O1 HY-W017284 [0,1,0,0,0,1|0,0,0]=2 63 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,0,1,1,0,0|2,0,0]=4 64 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,0,1,1,0,0|2,0,0]=4 65 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,1,1,0,0|0,0,0]=2 66 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,1,1,0,0|1,0,0]=3 67 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,1,1,0,0|1,0,0]=3 68 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,0,1,1,0,0|1,0,0]=3 69 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,0,1,1,0,0|1,0,0]=3 70 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,1,1,0,0|1,0,0]=3 71 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,1,1,0,0|1,0,0]=3 72 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,1,1,0,0|1,0,0]=3 73 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,0,1,0,1,0|1,0,0]=3 74 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,0,1,0,1,0|2,0,0]=4 75 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,0,1,0,1,0|2,0,0]=4 76 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,0,1,0,1,0|2,0,0]=4