0 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-20382 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-88740 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.8 CCCCC(N)C(=O)O SC-10365 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.8 CSCCC(N)C(N)=O SC-15811 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.8 NCCCC(N)C(=O)O SC-10385 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.8 NCCCC(N)C(=O)O SC-48991 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.28 O=C(O)COCC(=O)O SC-93218 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [1,0,0,0,0,0|0,0,2]=3 25 B10R0.82 COC(=O)CC[C@H](N)C(=O)O SC-09522 [0,1,0,0,0,0|0,0,0]=1 26 B10R0.92 CP(=O)(O)CCC(N)C(=O)O SC-46809 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.13 O=C(O)C1CCC(O)CC1 SC-47408 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.13 O=C(O)C1CCC(O)CC1 SC-84382 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,0,0,1,0,0|2,0,0]=3 30 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,0,0,0,1,0|2,0,0]=3 31 B8R0.23 C=C(CC(=O)O)C(=O)O SC-75279 [0,0,0,0,1,0|1,0,1]=3 32 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,0,0,0,1,0|2,0,0]=3 33 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,0,0,0,1,0|2,0,1]=4 34 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,0,0,0,1,0|2,0,1]=4 35 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,0,0,0,1,0|1,0,0]=2 37 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,0,0,0,1,0|1,0,0]=2 39 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,0,0,0,1,0|1,0,0]=2 40 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,0,0,0,1,0|1,0,0]=2 41 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,0,0,0,1,0|1,0,0]=2 42 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,0,0,0,1,0|0,0,0]=1 43 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,0,0,0,1,0|1,0,0]=2 44 B10R0.98 NC(CCCC(=O)O)C(=O)O SC-20484 [0,0,0,0,0,1|0,0,0]=1 45 B10R0.98 NC(CSCC(=O)O)C(=O)O SC-19245 [0,0,0,0,0,1|0,0,0]=1 46 B7R0.4 C#CCCCC(=O)O SC-73017 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.4 C=CCNCC(=O)O SC-74362 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 C=CCOCC(=O)O SC-49027 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 CNCCCC(=O)O SC-49793 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 CNCCCC(=O)O SC-A2900 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 COCCCC(=O)O SC-51378 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 C\C=C\CCC(=O)O SC-21245 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.4 NCCCCC(=O)O SC-10120 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.4 NCCCCC(=O)O SC-92391 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.4 O=C(O)CCCCBr SC-02338 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.5 C=CCC(N)C(=O)O SC-10030 [2,0,0,0,0,0|0,0,1]=3 58 B7R0.5 C=CCC(N)C(=O)O SC-10031 [2,0,0,0,0,0|0,0,1]=3 59 B7R0.5 C=CCC(N)C(=O)O SC-10032 [2,0,0,0,0,0|0,0,1]=3 60 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [2,0,0,0,0,0|0,0,1]=3 61 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [2,0,0,0,0,0|0,0,1]=3 62 B7R0.5 CCCC(Br)C(=O)O SC-27020 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [2,0,0,0,0,0|0,0,1]=3 64 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.5 NC(CCO)C(=O)O SC-10290 [2,0,0,0,0,0|0,0,0]=2 68 B7R0.5 NCCC(N)C(=O)O SC-10146 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.5 NCCC(N)C(=O)O SC-20723 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.5 NCCC(N)C(=O)O SC-23452 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.5 NCCC(N)C(=O)O SC-25055 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [2,0,0,0,0,0|0,0,0]=2 74 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [2,0,0,0,0,0|0,0,0]=2 75 B7R0.6 CC(C)CCC(=O)O SC-57917 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.6 O=C(O)CCC(=O)O SC-47173 [2,0,0,0,0,0|1,0,1]=4 78 B9R0.8 COC(=O)C(N)CCSC SC-17534 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.47 C=CCSCC(N)C(=O)O SC-10024 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.47 CCSCCC(N)C(=O)O SC-10254 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.51 C=CCCC(C)(C)C(=O)O SC-34922 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.1 C=CC(=O)OCCC(=O)O SC-65069 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [1,1,0,0,0,0|0,0,0]=2 93 B9R0.1 COC(=O)CCC[N+](=O)[O-] SC-70223 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [1,1,0,0,0,0|0,0,0]=2 95 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [1,1,0,0,0,0|1,0,0]=3 96 B9R0.53 O=C(O)CC(=O)CC(=O)O SC-16413 [1,1,0,0,0,0|0,0,1]=3 97 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,1,0,0,1,0|1,0,0]=3 98 B9R0.57 [C@H](N)(CS(=O)(=O)O)C(=O)O SC-09435 [0,1,0,0,1,0|1,0,0]=3 99 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,1,0,0,1,0|1,0,1]=4 100 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O SC-10302 [0,1,0,0,1,0|0,0,0]=2 101 B9R0.79 O=C(O)C(S)C(S)C(=O)O SC-16640 [0,1,0,0,1,0|1,0,0]=3 102 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-08892 [0,1,0,0,1,0|1,0,0]=3 103 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-44061 [0,1,0,0,1,0|1,0,0]=3 104 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O SC-08893 [0,1,0,0,1,0|1,0,0]=3 105 B11R0.120 COC(=O)CCC(=O)C(=O)OC SC-16687 [0,2,0,0,0,0|1,0,1]=4 106 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC SC-02682 [0,2,0,0,0,0|0,0,0]=2 107 B9R1.6 O=C(O)C1CC=CCC1 SC-19459 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [1,0,0,1,0,0|1,0,1]=4 110 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [1,0,0,1,0,0|1,0,1]=4 112 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SC-92067 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.6 O=C(O)[C@H]1CC=CCC1 SC-65686 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [1,0,0,1,0,0|0,0,0]=2 118 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [1,0,0,1,0,0|0,0,0]=2 120 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.35 O=C1NCC(C(=O)O)O1 SC-99665 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [1,0,0,1,0,0|0,0,0]=2 125 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [1,0,0,1,0,0|1,0,0]=3 126 B9R1.69 NC1CCC(=O)NC1=O SC-52533 [1,0,0,1,0,0|1,0,0]=3 127 B9R1.69 NC1CCC(=O)NC1=O SC-72018 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.69 NC1CCC(=O)NC1=O SC-85613 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.69 N[C@@H]1CCC(=O)NC1=O SC-A2238 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.69 N[C@H]1CCC(=O)NC1=O SC-A2241 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.69 O=C1CCC(Br)C(=O)N1 SC-A3664 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.163 NC1(C(=O)O)CC=CC1 SC-31553 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [1,0,0,1,0,0|2,0,0]=4 137 B11R1.20 O=C(O)CC1CCC(=O)CC1 SC-52908 [0,0,0,1,0,1|2,0,0]=4 138 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SC-04127 [0,0,0,1,0,1|1,0,0]=3 139 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 SC-47777 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.22 COC(=O)C1CCC(=O)CC1 SC-24169 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.22 COC(=O)C1CCC(=O)NC1 SC-97458 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.853 COC(=O)C1CC(C(=O)O)C1 SC-A2802 [0,1,0,1,0,0|1,0,0]=3 143 B11R1.226 COC(=O)C1CC(N)C(=O)N1 SC-48396 [0,1,0,1,0,0|1,0,0]=3 144 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,0,0,0,1,0|1,0,1]=4 145 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,0,0,0,1,0|0,0,1]=3 146 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,0,0,0,2,0|1,0,0]=3 147 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,0,0,0,2,0|1,0,1]=4 148 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,0,0,0,2,0|1,0,1]=4 149 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,0,0,0,2,0|1,0,1]=4 150 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,0,0,0,2,0|1,0,1]=4 151 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,0,0,0,2,0|1,0,1]=4 152 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,0,0,0,2,0|2,0,0]=4 153 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,0,0,0,2,0|0,0,0]=2 154 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,0,0,0,2,0|1,0,0]=3 155 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [1,0,0,0,0,1|1,0,0]=3 156 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [1,0,0,0,0,1|0,0,1]=3 157 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O SC-46452 [0,0,0,0,0,2|2,0,0]=4 158 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O SC-17242 [0,0,0,0,0,2|2,0,0]=4 159 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O SC-17244 [0,0,0,0,0,2|2,0,0]=4 160 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O SC-10122 [0,0,0,0,0,2|1,0,0]=3 161 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O SC-10123 [0,0,0,0,0,2|1,0,0]=3