0 B8R0.14 C\C=N\[S@@](=O)C(C)(C)C C90663 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CCOC(=O)C(=N)N W18562 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.5 CCOC(=O)[C@H](C)O D75729 [1,0,0,0,0,0|0,1,0]=2 3 B7R0.5 CCSC(=O)[C@H](C)N C14826 [1,0,0,0,0,0|1,1,0]=3 4 B7R0.14 CC(C)(C)C(=O)CN F11054 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.14 CC(C)(C)C(=O)CO F50563 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.14 CC(C)(O)C(=O)NN A10178 [1,0,0,0,0,0|2,1,0]=4 7 B7R0.14 CN[S@@](=O)C(C)(C)C D81167 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.3 CC(C)(C)C(=O)NCCN D86304 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.3 CC(C)(C)C(=O)NCCO W16100 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.3 CC(C)(C)C(=O)SCCO A12087 [0,1,0,0,0,0|1,1,0]=3 11 B9R0.3 CCCCC(=O)C(C)(C)C D92946 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.19 C#CC(C)(C)C(=O)OCC 20997 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.19 CCOC(=O)C(C)(C)NC 78903 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.40 CC1(C)CCCNC1=O P19113 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.40 CC1(C)CCCOC1=O 60202 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.40 CC1(C)COCCC1=O P12769 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.40 O=C1NCCCC1(F)F 50284 [0,0,0,1,0,0|3,0,0]=4 18 B9R0.44 CCOC(=O)CC(C)(C)O O11777 [0,0,0,0,0,1|0,1,0]=2 19 B9R0.44 CNNC(=O)OC(C)(C)C FD1328 [0,0,0,0,0,1|3,0,0]=4 20 B6R0.1 CCNC(=O)CO 79517 [2,0,0,0,0,0|1,1,0]=4 21 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.3 CC(C)C(=O)CCl D94573 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.3 CN(C)C(=O)CN FD21613 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.3 CNC(=O)[C@H](C)N C78177 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.3 CNC(=O)[C@H](C)N C78349 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.3 CNC(=O)[C@H](C)N FD21069 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.3 COC(=O)N(C)C D93880 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.4 CCOC[C@H](C)N 75202 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.7 CC(=O)C(C)(C)N 71804 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.7 CC(C)(C)C(=O)[O-] C71251 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.7 CC(C)(S)C(=O)O F17054 [2,0,0,0,0,0|0,0,0]=2 33 B8R0.2 COC(=O)C(=O)C(C)C 30685 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [1,1,0,0,0,0|0,1,0]=3 35 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.8 CN(C)C(=O)CCCCl S12226 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [1,1,0,0,0,0|0,1,1]=4 38 B8R0.23 CC(C)OC(=O)N(C)C A11034 [1,1,0,0,0,0|1,0,0]=3 39 B8R0.13 C#CC(C)(C)C(=O)OC AB9700 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.13 CCC(=O)C(C)(C)C=O 31867 [1,1,0,0,0,0|0,1,0]=3 41 B8R0.13 COC(=O)C(C)(C)C=O C72545 [1,1,0,0,0,0|0,1,0]=3 42 B8R0.13 COC(=O)[C@@](C)(N)CO D77168 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.27 C[C@H](Br)C(=O)C(C)(C)C AC1895 [1,1,0,0,0,0|1,0,0]=3 44 B10R0.28 CC(C)(C)OC(=O)CCCCl D83903 [0,1,0,0,0,1|2,0,0]=4 45 B10R0.28 CC(C)(C)OC(=O)CCCN C13415 [0,1,0,0,0,1|2,0,0]=4 46 B10R0.28 CC(C)(C)OC(=O)NCCI A50737 [0,1,0,0,0,1|2,0,0]=4 47 B10R0.28 CCCNC(=O)OC(C)(C)C AB22355 [0,1,0,0,0,1|2,0,0]=4 48 B10R0.28 CCNCC(=O)OC(C)(C)C C10118 [0,1,0,0,0,1|2,0,0]=4 49 B10R0.31 CC(C)NC(=O)OC(C)(C)C W12431 [0,1,0,0,0,1|2,0,0]=4 50 B10R0.31 C[C@H](Cl)OC(=O)OC(C)(C)C A12961 [0,1,0,0,0,1|1,0,0]=3 51 B10R0.37 CC[C@H](O)C(=O)OC(C)(C)C C73921 [0,1,0,0,0,1|2,0,0]=4 52 B10R0.36 CCOC(=O)C(C)(C)C(C)=O AB1430 [0,2,0,0,0,0|0,1,0]=3 53 B10R0.129 CCOC(=O)C(F)(F)CNC AC2283 [0,2,0,0,0,0|2,0,0]=4 54 B10R0.129 CCOC(C)(C)C(=O)OCCl W17136 [0,2,0,0,0,0|1,1,0]=4 55 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [1,0,0,1,0,0|1,1,0]=4 56 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|0,0,0]=2 58 B8R1.5 C[C@H]1COCCC1=O 27832 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.5 C[C@H]1CSCCC1=O 70869 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,0,0,1,0,0|1,1,0]=4 65 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,0,0,1,0,0|0,1,0]=3 66 B8R1.7 CC(C)C1=NCCO1 T71548 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.19 CC1(C)CCNC1=O 79628 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.19 CC1(C)CCNC1=S W12656 [1,0,0,1,0,0|1,1,0]=4 69 B8R1.19 CC1(C)CONC1=O D73557 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.19 CC1(C)OCCC1=O P18857 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.37 CCCC(=O)C1CC1 P18081 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [1,0,0,1,0,0|0,1,0]=3 73 B8R1.54 C[C@H](Br)C(=O)C1CC1 P15980 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.39 O=C(CCl)C1(Cl)CC1 D88098 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.181 CCOC(=O)CC1(N)CC1 P12553 [0,0,0,1,0,1|1,0,0]=3 76 B10R1.373 CC(C)(C)OC(=O)N1CC1 A10580 [0,0,0,1,0,1|2,0,0]=4 77 B10R1.36 CC1(C)C[C@H](CO)NC1=O 50815 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.300 CC1(C)NCCCNC1=O D79437 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 P10045 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.114 CC1(C)C(=O)CCCC1=O P11759 [0,1,0,1,0,0|1,1,0]=4 81 B10R1.401 CCOC(=O)C1(C)CCC1 F16289 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.401 CCOC(=O)C1(F)CCC1 W16480 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.405 CCOC(=O)C1(C=O)CC1 I11035 [0,1,0,1,0,0|0,1,0]=3 84 B10R1.405 CCOC(=O)C1(CBr)CC1 F30356 [0,1,0,1,0,0|1,0,0]=3 85 B10R1.405 CCOC(=O)C1(CO)CC1 71894 [0,1,0,1,0,0|0,1,0]=3 86 B10R2.15 O=C1NCCNC12CC2 F53392 [0,0,0,2,0,0|2,0,0]=4 87 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [1,0,0,0,0,1|1,0,0]=3 88 B8R0.5 COCC(=O)OC(C)C C11794 [1,0,0,0,0,1|2,0,0]=4 89 B10R0.109 CCOC(=O)C#C[Si](C)(C)C D84547 [0,0,0,0,0,2|1,1,0]=4