0 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 CCOC(=O)C(C)=O SC-15232 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.11 CC(=O)OC(C)(C)C(=O)Br SC-17645 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.23 C=C(NC(C)=O)C(=O)OC SC-81944 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.23 CCC(=O)C(C)CN(C)C SC-44504 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SC-09436 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.39 CC(=O)N[C@H](CS)C(=O)O SC-68544 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,1,0,0|1,0,0]=2 33 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 O=C1NCC(C(=O)O)O1 SC-99665 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,1,0,0|1,0,0]=2 38 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.69 CC1CC(=O)CCN1C SC-21165 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.69 CC1CN(C)CCC1=O SC-21048 [0,0,0,1,0,0|3,0,0]=4 42 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,0,0,0,1,0|2,0,0]=3 43 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,0,0,0,1,0|3,0,0]=4 44 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,0,0,0,1,0|3,0,0]=4 45 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,0,0,0,1,0|3,0,0]=4 46 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,0,0,0,0,1|3,0,0]=4 47 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,0,0,0,0,1|3,0,0]=4 48 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,0,0,0,0,1|3,0,0]=4 49 B6R0.2 CC(=O)CC(C)=O SC-77723 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.2 CC(=O)NC(C)C SC-A3057 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.2 CC(=O)OC(C)C SC-25616 [2,0,0,0,0,0|0,0,0]=2 52 B6R0.2 CC(C)OC(C)C SC-65190 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 C=CCOC(=O)Cl SC-18715 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 C=CC(C)C(=O)O SC-65769 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 COC(=O)C(C)=O SC-15233 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.3 COC(C)C(=O)O SC-49776 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.3 CON(C)C(C)=O SC-20924 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [2,0,0,0,0,0|1,0,0]=3 64 B8R0.16 COC(CC(C)=O)OC SC-15190 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.9 COC(=O)CCC(C)=O SC-74448 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.9 COC(=O)NCC(=O)O SC-01599 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.18 CCC(C(=O)Cl)C(=O)Cl SC-16088 [0,1,0,0,1,0|2,0,0]=4 73 B8R0.37 CC(C)(C(=O)O)C(=O)O SC-15755 [0,1,0,0,1,0|2,0,0]=4 74 B10R0.141 COC(=O)C(C)(C)CC(=O)O SC-62161 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.46 COC(=O)CC(O)C(=O)OC SC-06439 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC SC-24288 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.46 COC(=O)C[C@H](O)C(=O)OC SC-05781 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.54 COC(=O)C(CCl)NC(C)=O SC-17050 [0,2,0,0,0,0|1,0,0]=3 79 B10R0.54 COC(=O)[C@H](CS)NC(C)=O SC-68287 [0,2,0,0,0,0|1,0,0]=3 80 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C SC-09986 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.1 C=CC1COC(=O)O1 SC-15987 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [1,0,0,1,0,0|0,0,2]=4 83 B8R1.4 CC1CC(=O)CCN1 SC-14913 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.4 CC1CC(=O)CCN1 SC-26346 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.4 CC1CC(=O)CCO1 SC-43658 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.4 CC1CCCC(=O)N1 SC-90092 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.18 CC1=CC(=O)OC1O SC-47793 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.18 CC1CC(=O)OC1=O SC-97577 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.18 CC1NC(=O)OC1=O SC-19848 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.18 CC1NC(=O)OC1=O SC-48689 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.18 CC1OC(=O)OC1C SC-21491 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [1,0,0,1,0,0|0,0,1]=3 93 B8R1.5 CC1CCCCC1=O SC-20428 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.3 O=C1COC(=O)CN1 SC-96522 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.3 O=C1COC(=O)CO1 SC-86894 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.50 CC1C(=O)CCC1=O SC-62325 [0,0,0,1,1,0|0,0,0]=2 105 B8R1.50 O=C1CCC(=O)N1Br SC-00707 [0,0,0,1,1,0|2,0,0]=4 106 B8R1.50 O=C1CCC(=O)N1Cl SC-16479 [0,0,0,1,1,0|2,0,0]=4 107 B8R1.50 O=C1CCC(=O)N1I SC-14191 [0,0,0,1,1,0|2,0,0]=4 108 B8R1.50 O=C1CCC(=O)N1O SC-11266 [0,0,0,1,1,0|2,0,0]=4 109 B10R1.13 CC(=O)N1CCC(=O)CC1 SC-18691 [0,0,0,1,0,1|2,0,0]=4 110 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,0,0,1,0,1|2,0,0]=4 111 B10R1.54 O=C(O)CC1CCC(=O)C1 SC-32553 [0,0,0,1,0,1|2,0,0]=4 112 B10R1.560 CC1(C)CC(=O)C(C)(C)O1 SC-21325 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.14 COC(=O)C1CC(=O)CO1 SC-21290 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.14 COC(=O)C1CCC(=O)C1 SC-32839 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.14 COC(=O)C1CNC(=O)C1 SC-49046 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SC-24234 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.14 COC(=O)[C@H]1COC(=O)N1 SC-33733 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.113 O=C1CC(C(=O)O)CCN1 SC-95916 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.113 O=C1CCCC(C(=O)O)C1 SC-47920 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.113 O=C1CCCC(C(=O)O)N1 SC-49024 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 SC-22183 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.113 O=C1CSCC(C(=O)O)N1 SC-84528 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.118 CC1OC(=O)C(C)OC1=O SC-69431 [0,1,0,1,0,0|1,0,0]=3 124 B10R1.118 CC1OC(=O)C(C)OC1=O SC-93597 [0,1,0,1,0,0|1,0,0]=3 125 B8R0.28 O=C(O)COCC(=O)O SC-93218 [1,0,0,0,0,1|2,0,0]=4