0 B8R0.6 CCCCCC(O)CC TN1267 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 NCCCCC(N)CS T33070 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 CCCCCCCO TN6893 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.1 CCCSSCCC TN6758 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.3 COC(=O)CCCN T22364 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 NCCCCC(O)=O T5089 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 OC(=O)COCCBr T14786 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.1 COC(=O)CCCC(O)=O T4764 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.24 COC(=O)CCC(=O)CN T19421 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.46 COC(=O)CCOCCO T15511 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.47 CCCCOC(=O)C(Cl)Cl T30633 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,0,0,1,0,0|3,0,0]=4 14 B6R0.6 CC/C=C\CCO T22295 [2,0,0,0,0,0|1,0,1]=4 15 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|0,0,2]=4 16 B6R0.6 CCC/C=C/CO TN5162 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.6 CCCCCCO TN6891 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.6 NCCCCCN T4895 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.4 NCCCCCCCN T7998 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.7 CCCCCCC(C)=O TN6693 [1,1,0,0,0,0|0,0,2]=4 26 B8R0.8 CCCOC(=O)C(C)=C T20387 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|0,0,0]=2 29 B8R0.25 CCP(O)(=O)CCCN T22647 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.5 CCCC(C)OC(N)=O T32052 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.5 CCOC(=O)CC(C)=O T15254 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.28 CC(C)CCCC(C)N T22389 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.3 CCCC(=O)OCCC(C)C TN6702 [0,2,0,0,0,0|1,0,0]=3 35 B10R0.59 COC(=O)CCCC(=O)OC T20909 [0,2,0,0,0,0|1,0,1]=4 36 B10R0.1 CCCCCCC(Cl)CCC T29433 [0,2,0,0,0,0|1,0,1]=4 37 B10R0.1 CCCCCC[C@H](C)CCC T31329 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.1 CCCCCC[C@H](O)CCC T21104 [0,2,0,0,0,0|0,0,2]=4 39 B10R0.83 NCCCC[C@H](N)C(=O)CCl T33052 [0,2,0,0,0,0|1,0,0]=3 40 B10R0.83 NCCCC[C@H](N)C(=O)NO T33055 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.91 CCCCCC(=O)CCCC T29451 [0,2,0,0,0,0|0,0,0]=2 42 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.91 CCCCC[C@H](O)CCCC T31301 [0,2,0,0,0,0|0,0,2]=4 44 B10R0.55 COC(=O)CCCCC(O)=O T33475 [0,2,0,0,0,0|1,0,1]=4 45 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,2,0,0,0,0|1,0,0]=3 46 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.74 ICC(=O)NCCCCC#C T15543 [0,2,0,0,0,0|1,0,1]=4 48 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.4 CC1CCCC(C)N1 T1007 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 T29893 [0,1,0,1,0,0|0,0,2]=4 57 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|1,0,0]=3