0 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CCOC(=O)CCC#N 82565 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.1 CCOC(=O)CCC=O AB9300 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.1 CCOC(=O)CCCO C91677 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.19 C=CCC[C@H](N)C(=O)OCC W17088 [0,1,0,0,0,0|1,0,0]=2 12 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [0,1,0,0,0,0|0,0,3]=4 13 B10R0.35 CCOC(=O)[C@@H](N)[C@H](C)CC AC2330 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.129 CCOC(=O)C(F)(F)CNC AC2283 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.4 N#CC[C@H]1CCCCC1=O W15284 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,0,0,1,0,0|1,0,1]=3 18 B10R1.135 CCOC(=O)C1CC1C#N A12647 [0,0,0,1,0,0|1,0,1]=3 19 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,0,0,1,0,0|1,0,1]=3 20 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N P16190 [0,0,0,1,0,0|1,0,1]=3 21 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C#N P16387 [0,0,0,1,0,0|1,0,1]=3 22 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,0,0,1,0,0|1,0,1]=3 23 B10R1.140 CCOC(=O)C1CC(Br)C1 P17727 [0,0,0,1,0,0|1,0,1]=3 24 B10R1.140 CCOC(=O)C1CC(N)C1 87719 [0,0,0,1,0,0|1,0,1]=3 25 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 C77307 [0,0,0,1,0,0|1,0,1]=3 26 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 P11948 [0,0,0,1,0,0|1,0,1]=3 27 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 38125 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.256 CCN1C(=O)C[C@H](O)C1=O A11588 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.401 CCOC(=O)C1(C)CCC1 F16289 [0,0,0,1,0,0|0,0,2]=3 30 B10R1.401 CCOC(=O)C1(F)CCC1 W16480 [0,0,0,1,0,0|1,0,2]=4 31 B7R0.3 C#CCCC(=O)OC AT21755 [2,0,0,0,0,0|0,0,2]=4 32 B7R0.3 C=CCCC(=O)OC AT23749 [2,0,0,0,0,0|0,0,0]=2 33 B7R0.3 CNCCC(=O)OC AB11809 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.3 COC(=O)CCCI F19766 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.7 C=C=CC(=O)OCC T71774 [2,0,0,0,0,0|0,0,2]=4 36 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCOC(=O)[C@H](C)O D75729 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 CCSC(=O)[C@H](C)N C14826 [2,0,0,0,0,0|1,1,0]=4 40 B7R0.5 C[C@H](NC=O)C(=O)O FD21046 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.10 CC[C@H](O)C(=O)OC 98375 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.10 COC(=O)[C@@H](O)CN D97235 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.5 CCOC(=O)CCCC#N 84960 [1,1,0,0,0,0|0,0,2]=4 52 B9R0.5 CCOC(=O)CCCC=O N10598 [1,1,0,0,0,0|0,0,1]=3 53 B9R0.5 CCOC(=O)CCCCN 23836 [1,1,0,0,0,0|0,0,2]=4 54 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,1,0,0,0,0|0,0,2]=4 55 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.48 C=C(C)CCC(=O)OCC A11234 [1,1,0,0,0,0|0,0,0]=2 58 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [1,1,0,0,0,0|0,0,2]=4 59 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.48 CCOC(=O)NCC(=O)O D76651 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.6 CCOC(=O)[C@@H](C)C(=O)[O-] AC8075 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.6 CCOC(=O)[C@@H](C)C(N)=S W18275 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.19 C#CC(C)(C)C(=O)OCC 20997 [1,1,0,0,0,0|0,0,2]=4 64 B9R0.19 CCOC(=O)C(C)(C)NC 78903 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.23 CC(C)OC(=O)[C@@H](N)CO C13272 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.37 CCOC(=O)C(CO)CO C13497 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.60 C=CCC(C)(C)C(=O)OC 87418 [1,1,0,0,0,0|0,0,0]=2 68 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,1,0,0,0,1|0,0,2]=4 69 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O F31243 [0,2,0,0,0,0|1,0,1]=4 70 B11R0.240 C=C(Cl)CC(C)(C)C(=O)OCC 71631 [0,2,0,0,0,0|0,0,0]=2 71 B9R1.7 CCOC1=CC(=O)CC1 W16153 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.5 C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.82 COC(=O)C1CC(Br)C1 38009 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.82 COC(=O)C1CC(C)C1 84766 [1,0,0,1,0,0|0,0,2]=4 79 B9R1.82 COC(=O)C1CC(F)C1 P19700 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.88 COC(=O)C1CC1CN P14227 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.186 COC(=O)C1(C)CNC1 87434 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.186 COC(=O)C1(C)COC1 C72056 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.186 COC(=O)[C@]1(C)CCN1 P12463 [1,0,0,1,0,0|1,0,1]=4 87 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,0,0,1,0,1|0,0,2]=4 88 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,0,0,1,0,1|1,0,1]=4 89 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C F13023 [0,0,0,1,0,1|1,0,1]=4 90 B11R1.201 CCOC(=O)CC1CC(O)C1 38855 [0,0,0,1,0,1|1,0,1]=4 91 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,1,0,1,0,0|0,0,2]=4 92 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 FD7112 [0,1,0,1,0,0|0,0,2]=4 93 B11R1.15 CCOC(=O)[C@H]1CCN(C)C1 30995 [0,1,0,1,0,0|0,0,2]=4 94 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,1,0,1,0,0|0,0,2]=4 95 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 32555 [0,1,0,1,0,0|1,0,1]=4 97 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 66701 [0,1,0,1,0,0|1,0,1]=4 98 B11R1.819 CCOC(=O)C1(Br)CCCC1 P16851 [0,1,0,1,0,0|0,0,2]=4 99 B11R1.819 CCOC(=O)C1(O)CCCC1 W18607 [0,1,0,1,0,0|0,0,2]=4 100 B11R1.819 CCOC(=O)[C@]1(O)CCSC1 W10817 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.834 C=C[C@H]1C[C@@]1(N)C(=O)OCC 56265 [0,1,0,1,0,0|0,0,0]=2 102 B11R1.816 CCOC(=O)C1CC1C(=O)O F13206 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.816 CCOC(=O)[C@H]1C[C@H]1C(=O)O 84970 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.821 CCOC(=O)C1CC(F)(F)C1 N10643 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 P13493 [0,1,0,1,0,0|0,0,1]=3 106 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 P13497 [0,1,0,1,0,0|0,0,2]=4 107 B11R1.831 CCOC(=O)C1(CC)CCC1 P17180 [0,1,0,1,0,0|0,0,2]=4 108 B11R1.831 CCOC(=O)C1(CN)CCC1 27019 [0,1,0,1,0,0|0,0,2]=4 109 B11R2.47 O=C1CC2CCC1CC2=O D83633 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.42 O=C1CC2(CCNC2=O)C1 AT19069 [0,0,0,2,0,0|2,0,0]=4