0 B9R0.2 CC(=O)NCCCCCN T5222 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CCCCC/C=C/C(O)=O T5261 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.2 CCCCCCCC(C)=O T29360 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.2 CCCCCCCC(C)O TN6692 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.2 CCCCCCCC(O)=O T3946 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.2 CCCCCNCC(N)=O T24465 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 CCCCCNCC(N)=O T50055 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 CNCCOCCC(O)=O T16047 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.2 COCCOCCC(O)=O T15841 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.2 NOCCCCCC(O)=O T18489 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 OC(=O)CCCCCC#C T17345 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.4 NCCCCCCCN T7998 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.7 CCCCCCC(C)=O TN6693 [1,0,0,0,0,0|0,0,2]=3 13 B8R0.7 NCCCCCC(O)=O T0881 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.3 CCCC(=O)OCCC(C)C TN6702 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.4 C(CCCCC)CCC(C)C T29356 [0,1,0,0,0,0|1,0,0]=2 16 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,1,0,0,0,0|0,0,3]=4 17 B10R0.4 CCCCCCCCC(C)C T31326 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.4 CCCCCCCCC(O)=O T3947 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,1,0,0,0,0|0,0,2]=3 22 B10R0.4 NCCCCCCCC(O)=O T8102 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.6 CCCCCC(CC(O)=O)O T9719 [0,1,0,0,0,0|1,0,1]=3 24 B10R0.22 OP(O)(=O)CCCCCCBr T14056 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,1,0,0,0,0|0,0,2]=3 26 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.75 CCCCCCC(N)C(O)=O T9493 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.75 CCCCCCC(O)C(O)=O T7481 [0,1,0,0,0,0|1,0,1]=3 29 B10R0.78 CCCCC(C)CCC(O)=O T8089 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.97 CC(C)CCNCCC(C)C T20517 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.1 CCCCCCCO TN6893 [2,0,0,0,0,0|0,0,0]=2 32 B7R0.1 CCCSSCCC TN6758 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.1 CNCCOCCO T32120 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.45 C=CCCCCCCCC T21040 [1,1,0,0,0,0|0,0,1]=3 35 B9R0.45 CCCC/C=C\CCCC T31276 [1,1,0,0,0,0|0,0,1]=3 36 B9R0.45 CCCCCCCCCO TN6912 [1,1,0,0,0,0|0,0,0]=2 37 B9R0.45 NCCCCNCCCN T4893 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.45 NCCCCNCCCN T5080 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.45 NCCOCCOCCO T16312 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.45 OCCCCCCN=[N+]=[N-] T38953 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.45 OCCOCCOCCBr T14770 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.45 OCCOCCOCCO T16665 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.45 OCCOCCOCCS T20973 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.47 CCCCCC(C)C(O)=O T8008 [1,1,0,0,0,0|1,0,1]=4 45 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O T16447 [0,2,0,0,0,0|1,0,1]=4 46 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(O)=O T32143 [0,2,0,0,0,0|1,0,1]=4 47 B11R0.6 C[C@@H](O)CCOC(=O)C[C@@H](C)O T10492 [0,2,0,0,0,0|1,0,1]=4 48 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [0,2,0,0,0,0|0,0,2]=4 49 B11R0.2 CCCCCCC(C)CC(C)C T31323 [0,2,0,0,0,0|1,0,0]=3 50 B11R0.30 CN(C)CCCCCCN(C)C T13720 [0,2,0,0,0,0|2,0,0]=4 51 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,2,0,0,0,0|0,0,2]=4 52 B11R0.40 CCCCCCCCC(C)C#N T21189 [0,2,0,0,0,0|1,0,0]=3 53 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [0,2,0,0,0,0|1,0,1]=4 54 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,2,0,0,0,0|0,0,0]=2 55 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [0,2,0,0,0,0|0,0,1]=3 56 B11R0.42 CCCCCCCC(C)C(C)C T31332 [0,2,0,0,0,0|1,0,0]=3 57 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,2,0,0,0,0|1,0,1]=4 58 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,2,0,0,0,0|1,0,1]=4 59 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|0,0,2]=4 60 B11R0.148 CCCCCCCCCC(C)O T22221 [0,2,0,0,0,0|0,0,0]=2 61 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,2,0,0,0,0|1,0,1]=4 62 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,2,0,0,0,0|1,0,1]=4 63 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,2,0,0,0,0|1,0,1]=4 64 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,2,0,0,0,0|1,0,1]=4 65 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,2,0,0,0,0|1,0,1]=4 66 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|0,0,2]=4 67 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,2,0,0,0,0|1,0,1]=4 68 B11R0.176 OC(=O)CCCCC(S)CCS T21233 [0,2,0,0,0,0|1,0,1]=4 69 B11R0.176 OC(=O)CCCC[C@@H](S)CCS T21234 [0,2,0,0,0,0|1,0,1]=4 70 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,2,0,0,0,0|0,0,2]=4 71 B11R0.164 CCCCC(CC)CCC(O)=O T7456 [0,2,0,0,0,0|1,0,1]=4 72 B9R1.8 CCCC1NCCCC1 TN3695 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.8 OCCN1CCCCC1 T33732 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.50 OC1CCC/C=C/CC1 T18751 [1,0,0,1,0,0|0,0,2]=4 75 B9R1.50 O[C@@H]1CCC/C=C/CC1 T18648 [1,0,0,1,0,0|0,0,2]=4 76 B9R1.6 OC(=O)C1CCCCC1 T5563 [1,0,0,1,0,0|1,0,1]=4 77 B11R1.166 CC(C)C1CCC(C)CC1O T5723 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O T8109 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O T1407 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O TN1544 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.166 CC1CCC(C(C1)O)C(C)C TN1591 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.166 O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 T2979 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [0,1,0,1,0,0|1,0,1]=4 84 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [0,1,0,1,0,0|1,0,1]=4 85 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [0,1,0,1,0,0|0,0,2]=4 86 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C TN4615 [0,1,0,1,0,0|0,0,0]=2 87 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C TN4612 [0,1,0,1,0,0|0,0,0]=2 88 B11R2.116 O[C@@H]1C[C@H]2CC[C@H](O)[C@@H]1N2 TN3989 [0,0,0,2,0,0|2,0,0]=4 89 B11R2.4 N[C@@H]1C[C@H]1C2CCCCC2 T24718 [0,0,0,2,0,0|1,0,0]=3 90 B11R2.432 CN1[C@H]2CC[C@@H]1CC(O)C2 PDK0060 [0,0,0,2,0,0|1,0,0]=3 91 B11R2.432 CN1[C@H]2CC[C@@H]1C[C@H](O)C2 T5595 [0,0,0,2,0,0|1,0,0]=3