0 B9R0.53 CC(C)=CC(=O)C=C(C)C D69148 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.5 CC(C)OC(=O)OCCl C68871 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.5 CC(C)OC(=O)OCI K62369 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.5 COCC(=O)OC(C)C P65707 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.31 CC(=O)CC(=O)SC(C)(C)C B64429 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.165 CC(C)OP(=O)(Cl)OC(C)C D6946 [0,1,0,0,0,0|3,0,0]=4 13 B10R0.165 CC(C)OS(=O)(=O)OC(C)C D63517 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 C60664 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.329 CC1(C)CC(=O)CC(=O)N1 D67601 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.329 CC1(C)CC(=O)NC(=O)C1 D16646 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.329 CC1=CC(=O)CC(C)(C)C1 T60774 [0,0,0,1,0,0|0,0,2]=3 18 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,0,0,0,1,0|1,0,2]=4 19 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,0,0,0,1,0|2,0,0]=3 21 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,0,0,0,1,0|2,0,0]=3 22 B7R0.2 CC(C)NC(=O)CCl P40378 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.2 CC(C)OC(=O)CO I38145 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.2 CCC(=O)CC(C)=O H69646 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.2 COC(=O)C[C@@H](C)N M41333 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.2 COC(=O)C[C@@H](C)O M68364 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.2 COC(=O)C[C@H](C)O M37970 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CC(C)CCCCBr B43898 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.4 CCCCC[C@H](C)O H43947 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.7 CCNC(=O)NCC D40424 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.7 CCOC(=O)CCBr E39188 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.7 CCOC(=O)CCI E41273 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.7 CCOC(=O)CCO E36682 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.7 CCOC(=O)CNC S69399 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.7 CCOC(=O)CSC E40386 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.7 COCC(=O)COC D40391 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.7 O=C(CCCl)CCCl D67616 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [1,1,0,0,0,0|1,0,0]=3 40 B9R0.23 CC(C)OC(=O)[C@@H](N)CO S60921 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.34 CCCC(=O)CC(=O)OC M39290 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.44 CC(C)(C)OC(=O)CCBr B43863 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.44 CC(C)(C)OC(=O)CCN B43925 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.44 CC(C)(C)OC(=O)CCN B67888 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [1,1,0,0,0,0|1,1,0]=4 51 B9R0.44 CNCC(=O)OC(C)(C)C B43929 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.57 C[C@@H](N)C(=O)OC(C)(C)C B68965 [0,1,0,0,1,0|2,0,0]=4 53 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C B64149 [0,1,0,0,1,0|2,0,0]=4 54 B9R0.57 C[C@H](Br)C(=O)OC(C)(C)C B23452 [0,1,0,0,1,0|2,0,0]=4 55 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C B67916 [0,1,0,0,1,0|2,0,0]=4 56 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C B64150 [0,1,0,0,1,0|2,0,0]=4 57 B11R0.34 CC(C)NNC(=O)OC(C)(C)C B47202 [0,1,0,0,0,1|2,0,0]=4 58 B11R0.34 C[C@@H](N)CNC(=O)OC(C)(C)C B47199 [0,1,0,0,0,1|2,0,0]=4 59 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C B47198 [0,1,0,0,0,1|2,0,0]=4 60 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C B47200 [0,1,0,0,0,1|2,0,0]=4 61 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C B49591 [0,1,0,0,0,1|2,0,0]=4 62 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C B47182 [0,1,0,0,0,1|2,0,0]=4 63 B11R0.308 CC(C)[C@@H](N)C(=O)OC(C)(C)C B68761 [0,2,0,0,0,0|1,0,0]=3 64 B11R0.308 CC(C)[C@@H](O)C(=O)OC(C)(C)C B64147 [0,2,0,0,0,0|1,0,0]=3 65 B11R0.308 CC(C)[C@H](O)C(=O)OC(C)(C)C B64148 [0,2,0,0,0,0|1,0,0]=3 66 B11R0.308 C[C@@H](O)[C@H](N)C(=O)OC(C)(C)C B49588 [0,2,0,0,0,0|2,0,0]=4 67 B11R0.119 C[C@@H](CBr)NC(=O)OC(C)(C)C B47154 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.119 C[C@@H](CN)NC(=O)OC(C)(C)C B47201 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.119 C[C@@H](CN)NC(=O)OC(C)(C)C B49592 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.119 C[C@@H](CN)NC(=O)OC(C)(C)C B60943 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.119 C[C@@H](CO)NC(=O)OC(C)(C)C A7967 [0,2,0,0,0,0|2,0,0]=4 72 B11R0.119 C[C@@H](CO)NC(=O)OC(C)(C)C H38332 [0,2,0,0,0,0|2,0,0]=4 73 B11R0.119 C[C@H](CN)NC(=O)OC(C)(C)C B5252 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.119 C[C@H](CO)NC(=O)OC(C)(C)C A7973 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.48 O=C1CCCCC(=O)C1 C37584 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [1,0,0,1,0,0|0,0,0]=2 82 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.75 CCOC(=O)CC1CC1 E29877 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,0,0,1,1,0|2,0,0]=4 86 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,0,0,1,1,0|2,0,0]=4 87 B11R1.74 CC(C)C1CC(=O)CC(=O)C1 P61959 [0,0,0,1,0,1|1,0,1]=4 88 B11R1.1361 C[C@H]1CC(C)(C)CC(=O)C1=O T50436 [0,1,0,1,0,0|0,0,1]=3 89 B11R1.547 C[C@@H]1CN1C(=O)OC(C)(C)C B8346 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.547 C[C@H]1CN1C(=O)OC(C)(C)C B8347 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.547 C[C@H]1CN1C(=O)OC(C)(C)C M37004 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.1127 CC(C)(C)OC(=O)NC1CC1 B47118 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.1362 CC1(C)CC(=O)CC(C)(C)C1 T53268 [0,1,0,1,0,0|0,0,0]=2 94 B11R1.1362 CC1(C)CC(=O)CC(C)(C)O1 T10724 [0,1,0,1,0,0|0,0,0]=2 95 B11R1.1362 CC1(C)CC(O)CC(C)(C)N1 T61921 [0,1,0,1,0,0|0,0,2]=4 96 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 T22290 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.225 COC(=O)C1CC(C)CC1=O M36825 [0,1,0,1,0,0|1,0,1]=4 98 B11R2.1892 O=C(NC1CC1)NC2CC2 D43789 [0,0,0,2,0,0|2,0,0]=4 99 B11R2.433 O=C1CC2CCN(CC2)C1 A12979 [0,0,0,2,0,0|1,0,0]=3 100 B7R0.5 CC(C)C(=O)CC#N M43378 [1,0,0,0,1,0|1,0,1]=4 101 B7R0.5 CC(C)C(=O)OCCl C24559 [1,0,0,0,1,0|2,0,0]=4 102 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,0,0,0,1,0|2,0,0]=4 103 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,0,0,0,1,0|2,0,0]=4 104 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,0,0,0,1,0|2,0,0]=4 105 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,0,0,0,1,0|2,0,0]=4 106 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,0,0,0,1,0|2,0,0]=4 107 B7R0.16 CC(C)C(N)C(C)C D46525 [0,0,0,0,2,0|1,0,1]=4 108 B7R0.16 CN(C)C(=O)N(C)C T60681 [0,0,0,0,2,0|2,0,0]=4 109 B11R0.85 CC(C)CCC(=O)CCN(C)C D53347 [0,0,0,0,0,2|1,0,0]=3