0 B9R0.19 C#CC(C)(C)C(=O)OCC 20997 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.19 CCOC(=O)C(C)(C)NC 78903 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [1,0,0,0,0,0|0,0,0]=1 3 B8R0.13 C#CC(C)(C)C(=O)OC AB9700 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.13 CCC(=O)C(C)(C)C=O 31867 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.13 COC(=O)C(C)(C)C=O C72545 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.36 CCOC(=O)C(C)(C)C(C)=O AB1430 [0,1,0,0,0,0|1,0,1]=3 8 B10R0.129 CCOC(=O)C(F)(F)CNC AC2283 [0,1,0,0,0,0|2,0,0]=3 9 B10R0.129 CCOC(C)(C)C(=O)OCCl W17136 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.300 CC1(C)NCCCNC1=O D79437 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.300 O=C1NCCCCC1(Br)Br 77966 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.300 O=C1NCCCCC1(Cl)Cl W15271 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.401 CCOC(=O)C1(C)CCC1 F16289 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.401 CCOC(=O)C1(F)CCC1 W16480 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.405 CCOC(=O)C1(C=O)CC1 I11035 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.405 CCOC(=O)C1(CBr)CC1 F30356 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.405 CCOC(=O)C1(CO)CC1 71894 [0,0,0,1,0,0|2,0,0]=3 18 B7R0.5 CCOC(=O)[C@H](C)O D75729 [2,0,0,0,0,0|0,0,0]=2 19 B7R0.5 CCSC(=O)[C@H](C)N C14826 [2,0,0,0,0,0|1,1,0]=4 20 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.7 CCNC(=O)CNC A12930 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.10 CC[C@H](O)C(=O)OC 98375 [2,0,0,0,0,0|0,0,0]=2 24 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.10 COC(=O)[C@@H](O)CN D97235 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.13 CC(=O)C(C)(C)CO Y13534 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.13 CC(C)(CN)C(=O)O D76726 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [2,0,0,0,0,0|0,0,0]=2 37 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.14 CC(C)(C)C(=O)CN F11054 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.14 CC(C)(C)C(=O)CO F50563 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.14 CC(C)(O)C(=O)NN A10178 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [1,1,0,0,0,0|0,0,2]=4 43 B9R0.6 CCOC(=O)[C@@H](C)C(=O)[O-] AC8075 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.6 CCOC(=O)[C@@H](C)C(N)=S W18275 [1,1,0,0,0,0|1,0,1]=4 45 B9R0.23 CC(C)OC(=O)[C@@H](N)CO C13272 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.35 CCCN(N)C(=O)OCC W11062 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.35 CCNC(=O)C(=O)OCC W18547 [1,1,0,0,0,0|0,0,2]=4 48 B9R0.37 CCNC(=O)N(CC)CC A10889 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.37 CCOC(=O)C(CO)CO C13497 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.37 CCOC(=O)\C(CCl)=N/O W19300 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.3 CC(C)(C)C(=O)NCCN D86304 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.3 CC(C)(C)C(=O)NCCO W16100 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.3 CC(C)(C)C(=O)SCCO A12087 [1,1,0,0,0,0|1,1,0]=4 54 B9R0.3 CCCCC(=O)C(C)(C)C D92946 [1,1,0,0,0,0|2,0,0]=4 55 B11R0.240 C=C(Cl)CC(C)(C)C(=O)OCC 71631 [0,2,0,0,0,0|1,0,1]=4 56 B11R0.252 CCOC(=O)C(C#N)(CC)CC 20549 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.5 C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.5 N[C@H]1CCCCNC1=O A56020 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.11 CC[C@H](C)C1=NCCS1 W15587 [1,0,0,1,0,0|1,1,0]=4 62 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.15 CO[C@H]1CCCNC1=O O11031 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.73 CCOC(=N)C1CCC1 C13282 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.40 CC1(C)CCCNC1=O P19113 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.40 CC1(C)CCCOC1=O 60202 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.40 CC1(C)COCCC1=O P12769 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.190 CNC1(C(=O)OC)CC1 C91676 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.190 COC(=O)C1(CO)CC1 F51922 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.840 CCOC(=O)CC1(F)CCC1 72955 [0,0,0,1,0,1|1,0,0]=3 72 B11R1.840 CCOC(=O)CC1(N)CCC1 F51920 [0,0,0,1,0,1|1,0,0]=3 73 B11R1.840 CCOC(=O)CC1(N)COC1 37732 [0,0,0,1,0,1|2,0,0]=4 74 B11R1.840 CCOC(=O)CC1(N)COC1 66130 [0,0,0,1,0,1|2,0,0]=4 75 B11R1.840 CCOC(=O)CC1(O)COC1 P14329 [0,0,0,1,0,1|1,0,0]=3 76 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 61937 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.819 CCOC(=O)C1(Br)CCCC1 P16851 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.819 CCOC(=O)C1(O)CCCC1 W18607 [0,1,0,1,0,0|0,0,0]=2 79 B11R1.819 CCOC(=O)[C@]1(O)CCSC1 W10817 [0,1,0,1,0,0|0,0,0]=2 80 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 P13493 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 P13497 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.834 C=C[C@H]1C[C@@]1(N)C(=O)OCC 56265 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.831 CCOC(=O)C1(C#N)CCC1 F13248 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.831 CCOC(=O)C1(CC)CCC1 P17180 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.831 CCOC(=O)C1(CN)CCC1 27019 [0,1,0,1,0,0|1,0,0]=3 86 B11R2.370 O=C1NCCCC12CCC2 D79332 [0,0,0,2,0,0|2,0,0]=4 87 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,0,0,0,0,1|0,0,0]=2 88 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,0,0,0,0,1|1,0,0]=3 89 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,0,0,0,0,1|1,0,0]=3 90 B9R0.44 CCOC(=O)CC(C)(C)O O11777 [1,0,0,0,0,1|0,0,0]=2