0 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.24 COC(=O)CCC(=O)CBr D72688 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.6 COC\C=C\C(=O)OC P17071 [1,0,0,0,0,0|0,0,3]=4 3 B8R0.9 CCC(C)=CCC(=O)O C75612 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.9 O=C(O)CCC(=O)CBr P19462 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.9 O=C(O)CCC(=O)NO D83843 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.45 COC(=O)CCC(OC)OC W12514 [0,1,0,0,0,0|0,0,2]=3 7 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl AB7488 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.46 COC(=O)[C@H](C)NC(=O)CCl AB7489 [0,1,0,0,0,0|3,0,0]=4 9 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,1,0,0,0,0|1,0,0]=2 11 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,0,0,1,0,0|1,0,2]=4 13 B10R1.14 COC(=O)C1CCC(O)C1 P17887 [0,0,0,1,0,0|1,0,2]=4 14 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 W12371 [0,0,0,1,0,0|2,1,0]=4 15 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 86119 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P13549 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P13902 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 74856 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,0,0,1,0,0|1,0,0]=2 20 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.14 COC(=O)[C@H]1CCN(C)C1 F12360 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 P16721 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13551 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P20282 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P16736 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,0,0,1,0,0|0,0,0]=1 27 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,0,0,0,1,0|2,0,1]=4 28 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,0,0,0,1,0|1,0,2]=4 29 B10R0.59 COC(=O)COCC(=O)OC C16251 [0,0,0,0,0,1|0,0,0]=1 30 B7R0.3 C#CCCC(=O)OC AT21755 [2,0,0,0,0,0|0,0,2]=4 31 B7R0.3 C=CCCC(=O)OC AT23749 [2,0,0,0,0,0|0,0,1]=3 32 B7R0.3 CNCCC(=O)OC AB11809 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.3 COC(=O)CCCI F19766 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.4 COCCCC(=O)O 78063 [2,0,0,0,0,0|0,0,1]=3 35 B7R0.6 CC(C)=CCC(=O)O 24307 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.6 C[S+](C)CCC(=O)O T70554 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.6 O=C(O)CCC(=O)O D85169 [2,0,0,0,0,0|0,0,0]=2 38 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [1,1,0,0,0,0|1,0,1]=4 40 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.46 CCNCCCC(=O)OC 72977 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.7 C=C(C)C(=O)NCC(=O)O A12316 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O AC6938 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.7 C[C@H](N)C(=O)NCC(=O)O A12756 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.7 C[C@H](S)C(=O)NCC(=O)O C73708 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.42 COC(=O)CC(=O)C(=O)O 78060 [1,1,0,0,0,0|0,0,1]=3 49 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [1,1,0,0,0,0|0,0,0]=2 50 B9R0.48 C=C(C)CCC(=O)OCC A11234 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.48 CCOC(=O)NCC(=O)O D76651 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [1,1,0,0,0,0|0,0,2]=4 55 B9R0.22 CNS(=O)(=O)CC(=O)OC AC5814 [0,1,0,0,1,0|2,0,0]=4 56 B11R0.110 COC(=O)CC(N)CC(=O)OC C10160 [0,1,0,0,0,1|0,0,0]=2 57 B11R0.110 COC(=O)CC(N)CC(=O)OC F10239 [0,1,0,0,0,1|0,0,0]=2 58 B11R0.110 COC(=O)CC(N)CC(=O)OC F19900 [0,1,0,0,0,1|0,0,0]=2 59 B11R0.120 COC(=O)CC[C@H](Br)C(=O)OC W10902 [0,1,0,0,0,1|0,0,0]=2 60 B11R0.120 COC(=O)CNC(=O)C(=O)OC 78206 [0,1,0,0,0,1|0,0,1]=3 61 B11R0.174 C=CC(=O)OCCC(=O)OCC D93457 [0,1,0,0,0,1|1,0,1]=4 62 B11R0.43 CCOC(=O)C(=O)CC(=O)CC C10562 [0,2,0,0,0,0|1,0,1]=4 63 B11R0.66 COC(=O)\C(Br)=C(/Br)C(=O)OC T70114 [0,2,0,0,0,0|0,0,2]=4 64 B11R0.62 CCOC(=O)CNC(=O)OCC AB7203 [0,2,0,0,0,0|1,0,0]=3 65 B11R0.62 CCOC(=O)CSC(=S)OCC AR3749 [0,2,0,0,0,0|1,1,0]=4 66 B9R1.1 CON1CCC(=O)CC1 92073 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [1,0,0,1,0,0|0,0,1]=3 71 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [1,0,0,1,0,0|0,0,1]=3 72 B9R1.79 COC(=O)CC1CCC1 20777 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.79 COC(=O)CC1CNC1 C71903 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.79 COC(=O)CC1COC1 82645 [1,0,0,1,0,0|0,0,1]=3 75 B9R1.81 COC(=O)C1CNC1C P14367 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 W16754 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.35 O=C1N[C@H](C(=O)O)CO1 AT13924 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.69 CN1CC(=O)NCC1=O P12381 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.82 COC(=O)C1CC(Br)C1 38009 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.82 COC(=O)C1CC(C)C1 84766 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.82 COC(=O)C1CC(F)C1 P19700 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [1,0,0,1,0,0|0,0,2]=4 88 B9R1.95 COC1CC(C(=O)O)C1 P10644 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,0,0,1,1,0|2,0,0]=4 92 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,1,1,0|2,0,0]=4 93 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 C71631 [0,0,0,1,0,1|1,0,0]=3 94 B11R1.39 COC(=O)CC1=NOC(=O)C1 FD10558 [0,0,0,1,0,1|1,0,0]=3 95 B11R1.39 COC(=O)C[C@H]1CCC(=O)N1 AT10062 [0,0,0,1,0,1|1,0,0]=3 96 B11R1.44 COC(=O)[C@@H]1CCC(SC)=N1 W12370 [0,0,0,1,0,1|1,1,0]=4 97 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C FD7375 [0,0,0,1,0,1|1,0,0]=3 98 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 72112 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74958 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74999 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 76678 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.228 COC(=O)CN1CCOC1=O W15254 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.885 COC(=O)[C@@]1(C)CCC(=O)C1 P18600 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.854 COC(=O)[C@H]1CC(=O)C1(C)C P12907 [0,1,0,1,0,0|1,0,0]=3 105 B11R2.1939 COC(=O)C1CC2(CO2)C1 D79252 [0,0,0,2,0,0|1,0,1]=4 106 B7R0.2 COC(=O)CC(=N)N AC2408 [1,0,0,0,1,0|2,0,0]=4 107 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,0,0,0,1,0|1,0,1]=4 108 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,0,0,0,1,0|1,0,1]=4 109 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,0,0,0,1,0|1,0,1]=4