0 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.6 CCOC(=O)[C@@H](F)C(=O)O C91038 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.6 CCOC(=O)\C(C)=C(\C)N 96849 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.3 C=C(CC)C(=O)OCC 97591 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.3 C=C(CCl)C(=O)OCC T70430 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.3 CCCC(C)C(C)CC T71461 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.5 CC(C)OC(=O)OCI D73860 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.5 CCCC(=O)CC(C)C T72726 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.8 CCCC[C@H](C)C(C)C T70746 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.35 CCCC(=O)[C@H](C)C(=O)ON W18321 [0,1,0,0,0,0|2,0,1]=4 20 B10R0.35 CCOC(=O)[C@@H](Cl)C(=O)CC D87881 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.36 C=C(Cl)C(C)(C)C(=O)OCC A10157 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.36 CCOC(=O)C(C)(C)C(N)=S W18276 [0,1,0,0,0,0|1,1,1]=4 23 B10R0.36 CCOC(=O)C(F)(F)C(=O)O C93221 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.36 CCOC(=O)C(F)(F)[C@H](C)O N13042 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.36 CCOC(=O)[C@@](C)(Br)C(C)=O 21223 [0,1,0,0,0,0|0,0,2]=3 26 B10R1.61 C[C@H](O)C1=C(Br)CCCC1 E70225 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.61 O=C1CCCC[C@H]1C(F)F F53615 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.291 CC(=O)[C@@]1(F)CCOC1=O 93157 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.291 C[C@@]1(C(=O)O)CCNC1=O AT19086 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.400 CCOC(=O)C1CC1(F)Cl CS3138 [0,0,0,1,0,0|2,0,0]=3 31 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [0,0,0,0,0,1|2,0,0]=3 32 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93835 [0,0,0,0,0,1|1,0,1]=3 33 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93836 [0,0,0,0,0,1|1,0,1]=3 34 B10R0.32 CCOC(=O)C(=O)CC(C)C 25233 [0,0,0,0,0,1|2,0,1]=4 35 B7R0.2 CC(C)CC(=O)CN F50535 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.2 COC(=O)CN(C)C F21349 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.2 COC(=O)C[C@H](C)N N13255 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CC(C)C(=O)NCO 81303 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CCOC(=N)C(C)C W12825 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 CN(C)C(=O)OCCl C77477 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.10 C=C(CC)C(=O)OC 82635 [2,0,0,0,0,0|0,0,2]=4 42 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [2,0,0,0,0,0|0,0,2]=4 45 B7R0.10 COC(=O)[C@@H](F)CN 94842 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.10 COC(=O)[C@@H](N)CO D87908 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.10 COC(=O)[C@@H](O)CN A11345 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.10 COC(=O)[C@H](C)OC 29231 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.10 COC(=O)\C(C)=C\O 91385 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.7 CCOC(=O)CCN F19878 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCSC(=O)OCI C77591 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69607 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.28 COC(=O)C(C)(C)[C@H](C)N AT25926 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14617 [1,1,0,0,0,0|1,0,0]=3 57 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14618 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.28 COC(=O)C(C)(C)[C@H](C)N N14619 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [1,1,0,0,0,0|0,0,0]=2 61 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [1,1,0,0,0,0|0,0,0]=2 62 B9R0.37 CCOC(=O)\C(CBr)=N/O 88092 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.4 CCOCC(=O)OC(C)C 94622 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [1,1,0,0,0,0|0,0,0]=2 66 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [1,1,0,0,0,0|0,0,0]=2 67 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [1,1,0,0,0,0|2,0,0]=4 68 B11R0.54 CCOC(=O)C[C@H](O)C(C)(C)C E72436 [0,1,0,0,0,1|2,0,0]=4 69 B11R0.240 CCOC(=O)C(C)(C)CC(=O)O 90504 [0,1,0,0,0,1|1,0,1]=4 70 B11R0.60 CCOC(=O)C(C)(C)C(F)(F)F I10767 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.57 C=CC[C@@H](C(C)=O)C(=O)OCC C12450 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.175 CCOC(=O)\C(C(C)=O)=C(\C)O AC7517 [0,2,0,0,0,0|0,0,2]=4 73 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [1,0,0,1,0,0|0,0,2]=4 74 B9R1.41 CC(C)[C@@H]1CCNC1=O D72753 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.81 COC(=O)C1CCC1N P20420 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.101 COC(=O)[C@@H](N)C1CC1 D77035 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.73 CCOC(=O)C1CSC1 F18444 [1,0,0,1,0,0|0,1,0]=3 86 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.202 C[C@]1(CO)CCNC1=O AT19085 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.34 CC1CC(=O)CC(C)S1 89934 [1,0,0,1,0,0|1,1,0]=4 92 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.6 C[C@H](N)C1CCCOC1 79879 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.6 C[C@H](N)C1CCCOC1 79880 [1,0,0,1,0,0|1,0,1]=4 97 B9R1.6 C[C@H](N)C1CCCOC1 79881 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.6 C[C@H](N)C1CCCOC1 79882 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [1,0,0,1,0,0|1,0,1]=4 100 B11R1.334 CCOC(=O)C[C@H](N)C1CC1 F53810 [0,0,0,1,0,1|2,0,0]=4 101 B11R1.15 C=C1CC[C@H](C(=O)OCC)C1 89906 [0,0,0,1,0,1|1,0,1]=4 102 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [0,0,0,1,0,1|1,0,0]=3 103 B11R1.15 CCOC(=O)[C@@H]1CCC(=S)N1 AC6921 [0,0,0,1,0,1|0,1,1]=4 104 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 C16215 [0,0,0,1,0,1|1,0,0]=3 105 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 Y10153 [0,0,0,1,0,1|1,0,0]=3 106 B11R1.351 CCOC(=O)[C@@H](N)CC1CC1 F53735 [0,0,0,1,0,1|2,0,0]=4 107 B11R1.351 CCOC(=O)\C(C)=C\C1CC1 F18298 [0,0,0,1,0,1|1,0,1]=4 108 B11R1.1361 CC1=C(C)C(=O)OC(C)(C)O1 T73024 [0,1,0,1,0,0|0,0,2]=4 109 B11R1.199 CCOC(=O)C1CSCC1N 69819 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.199 CCOC(=O)[C@@H]1NCC=C1C F12646 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 98153 [0,1,0,1,0,0|1,0,0]=3 112 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC7745 [0,1,0,1,0,0|1,0,0]=3 113 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C 72681 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.834 C=CC1CC1(N)C(=O)OCC C11964 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.834 C=CC1CC1(N)C(=O)OCC W17568 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.835 CCOC(=O)C1(C(F)F)CC1 93592 [0,1,0,1,0,0|2,0,0]=4 117 B11R2.55 O=C1CCCC[C@H]1C2CC2 33404 [0,0,0,2,0,0|2,0,0]=4 118 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [1,0,0,0,0,1|1,0,1]=4