0 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.6 CCOC(=O)[C@@H](C)C(=O)[O-] AC8075 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.6 CCOC(=O)[C@@H](C)C(N)=S W18275 [0,0,0,0,0,0|1,1,1]=3 4 B8R0.2 COC(=O)C(=O)C(C)C 30685 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [1,0,0,0,0,0|1,0,0]=2 12 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [0,1,0,0,0,0|0,0,2]=3 13 B10R0.35 CCOC(=O)[C@@H](N)[C@H](C)CC AC2330 [0,1,0,0,0,0|2,0,0]=3 14 B10R0.36 CCOC(=O)C(C)(C)C(C)=O AB1430 [0,1,0,0,0,0|0,0,2]=3 15 B10R0.81 CC(C)[C@H](N)C(=O)OCCO 43949 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.100 CCOC(=O)[C@@H](C)C(F)(F)F I10922 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.101 CCOC(=O)\C(C#N)=C(\C)O C12460 [0,1,0,0,0,0|0,0,3]=4 18 B10R1.61 CC(C)[C@@H]1CNCCC1=O 20254 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.212 CCOC(=O)C(=O)C1CC1 D85551 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 38125 [0,0,0,1,0,0|2,0,0]=3 21 B7R0.2 COC(=O)C[C@H](C)N FD10418 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.2 COC(=O)C[C@H](C)N S11691 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.2 COC(C)CC(C)O 78061 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.5 CCOC(=O)[C@H](C)O D75729 [2,0,0,0,0,0|0,0,0]=2 25 B7R0.5 CCSC(=O)[C@H](C)N C14826 [2,0,0,0,0,0|1,1,0]=4 26 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.10 CC[C@H](O)C(=O)OC 98375 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.10 COC(=O)[C@@H](O)CN D97235 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.7 CCNC(=O)CNC A12930 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C C16120 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69603 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.28 COC(=O)C(C)(C)C(=O)O O11027 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.29 CN[C@H](C(=O)OC)C(C)C A51171 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O W19727 [1,1,0,0,0,0|0,0,0]=2 48 B9R0.29 COC(=O)[C@@H](C#N)C(C)C Y11402 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.19 C#CC(C)(C)C(=O)OCC 20997 [1,1,0,0,0,0|0,0,2]=4 50 B9R0.19 CCOC(=O)C(C)(C)NC 78903 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.23 CC(C)OC(=O)[C@@H](N)CO C13272 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.35 CCCN(N)C(=O)OCC W11062 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.35 CCNC(=O)C(=O)OCC W18547 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.37 CCNC(=O)N(CC)CC A10889 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.37 CCOC(=O)C(CO)CO C13497 [1,1,0,0,0,0|0,0,0]=2 56 B9R0.37 CCOC(=O)\C(CCl)=N/O W19300 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.34 CCOC(=O)CC(=N)NO Y14772 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,1,0,0,0,0|0,0,0]=2 61 B9R0.44 CCOC(=O)CC(C)(C)O O11777 [1,1,0,0,0,0|0,0,0]=2 62 B9R0.53 CC(C)OC(=O)OC(C)C C76030 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.53 CC(Cl)OC(=O)OC(C)Cl A10514 [1,1,0,0,0,0|2,0,0]=4 64 B11R0.54 CCOC(=O)C[C@H](O)C(C)(C)C D86239 [0,1,0,0,0,1|2,0,0]=4 65 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O F31243 [0,1,0,0,0,1|0,0,2]=4 66 B11R0.186 CCOC(=O)[C@H](C)OS(C)(=O)=O D94303 [0,1,0,0,0,1|1,0,1]=4 67 B11R0.308 CC(=O)[C@H](C)C(=O)OC(C)(C)C D84436 [0,2,0,0,0,0|0,0,2]=4 68 B11R0.308 CC(C)[C@H](O)C(=O)OC(C)(C)C C11367 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.308 CC(C)[C@H](O)C(=O)OC(C)(C)C C11961 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.175 CCOC(=O)C(C(C)=O)C(C)=O D77633 [0,2,0,0,0,0|0,0,2]=4 71 B9R1.81 COC(=O)C1CNC1C P14367 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.101 COC(=O)[C@@H](N)C1CC1 C72534 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.101 COC(=O)[C@@H](N)C1CC1 W11640 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.5 C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.5 N[C@H]1CCCCNC1=O A56020 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.11 CC[C@H](C)C1=NCCS1 W15587 [1,0,0,1,0,0|1,1,0]=4 80 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.15 CO[C@H]1CCCNC1=O O11031 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.73 CCOC(=N)C1CCC1 C13282 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.34 CC1CC(=O)CC(C)N1 32785 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [1,0,0,1,0,0|2,0,0]=4 87 B11R1.816 CCOC(=O)C1CC1C(=O)O F13206 [0,0,0,1,0,1|1,0,1]=4 88 B11R1.816 CCOC(=O)[C@H]1C[C@H]1C(=O)O 84970 [0,0,0,1,0,1|1,0,1]=4 89 B11R1.839 CCOC(=O)C[C@H]1CC1(F)F P15480 [0,0,0,1,0,1|2,0,0]=4 90 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,0,0,1,0,1|0,0,0]=2 91 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 FD7112 [0,0,0,1,0,1|2,0,0]=4 92 B11R1.15 CCOC(=O)[C@H]1CCN(C)C1 30995 [0,0,0,1,0,1|2,0,0]=4 93 B11R1.821 CCOC(=O)C1CC(F)(F)C1 N10643 [0,0,0,1,0,1|2,0,0]=4 94 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 P13493 [0,0,0,1,0,1|0,0,2]=4 95 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 P13497 [0,0,0,1,0,1|0,0,0]=2 96 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,1,0,1,0,0|0,0,0]=2 97 B11R1.199 CCOC(=O)C1NCCC1N 60856 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,1,0,1,0,0|0,0,0]=2 104 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O 38525 [0,1,0,1,0,0|0,0,2]=4 105 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,1,0,1,0,0|1,0,0]=3 106 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C F13023 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.349 CCOC(=O)C(C)=C1COC1 D78855 [0,1,0,1,0,0|0,0,2]=4 109 B11R1.349 CCOC(=O)[C@@H](Br)C1CCC1 P17194 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.349 CCOC(=O)[C@@H](Br)C1COC1 P21040 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53581 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53672 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.834 C=C[C@H]1C[C@@]1(N)C(=O)OCC 56265 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 61937 [0,1,0,1,0,0|0,0,2]=4 115 B11R1.823 CCOC(=O)[C@@H](C#N)C1CC1 D72926 [0,1,0,1,0,0|1,0,1]=4 116 B9R0.48 C=C(C)CCC(=O)OCC A11234 [1,0,0,0,0,1|1,0,1]=4 117 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [1,0,0,0,0,1|1,0,0]=3 118 B9R0.48 CCOC(=O)NCC(=O)O D76651 [1,0,0,0,0,1|1,0,1]=4 119 B9R0.48 CCOC(=O)OCC(C)C A12452 [1,0,0,0,0,1|1,0,0]=3 120 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,0,0,0,0,2|2,0,0]=4