0 B9R1.35 CC(=O)C1CCC(=O)O1 OR22581 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC1NC(C(=O)O)CS1 OR24669 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 NC(=O)C1CNC(=O)C1 OR300643 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR450007 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 PC5718 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 PC5719 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 PC4474 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 O=C1CC(C(=O)O)CN1 OR315602 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 O=C1CCC(C(=O)O)N1 OR350322 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 O=C1CN[C@H](C(=O)O)C1 OR309140 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 O=C1NCC(C(=O)O)N1 OR24950 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.1 C=C[C@H]1COC(=O)C1 OR315211 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 O=C1NC(CO)CO1 OR471489 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.1 O=C1NC[C@H](CO)O1 OR315209 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 O=C(O)C1=CCCC1 OR322492 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.7 O=C(O)C1CCNC1 OR301045 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 O=C(O)C1CCNC1 OR309145 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 O=C(O)[C@@H]1CCNC1 OR309146 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.7 O=C(O)[C@H]1CCCO1 OR315017 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.7 O=C(O)[C@H]1CCNC1 OR309147 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 OR471452 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 OR310605 [0,1,0,0,0,0|0,0,0]=1 22 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 OR52665 [0,1,0,0,0,0|1,0,2]=4 23 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 PC520770 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 PC3159 [0,1,0,0,0,0|0,0,0]=1 25 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F PC0674 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 PC53160 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.8 CCOC[C@H](N)C(=O)O OR307096 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.9 CNC(=O)\C=C/C(=O)O OR322103 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.23 C=C(NC(C)=O)C(=O)O BIA1004 [0,0,1,0,0,0|0,0,2]=3 30 B8R0.23 CC(=O)NC(C)C(=O)O BIA1218 [0,0,1,0,0,0|0,0,0]=1 31 B8R0.23 CS(=O)C[C@H](N)C(=O)O OR480202 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.28 CC(C)CCCC(=O)O OR2382 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.28 NC(=O)CCC[N+](=O)[O-] OR322599 [0,0,1,0,0,0|1,0,1]=3 34 B8R0.28 NC(=O)COCC(=O)O OR28494 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.28 O=C(O)CCCC(=O)O OR10039 [0,0,1,0,0,0|1,0,0]=2 36 B8R1.23 C=C1CC(C(=O)Cl)C1 OR6383 [0,0,0,0,1,0|3,0,0]=4 37 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 OR317068 [0,0,0,0,1,0|2,0,1]=4 38 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 OR317069 [0,0,0,0,1,0|2,0,1]=4 39 B8R1.23 NC1CC(C(=O)O)C1 OR322763 [0,0,0,0,1,0|2,0,1]=4 40 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR317054 [0,0,0,0,1,0|2,0,1]=4 41 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 OR317055 [0,0,0,0,1,0|2,0,1]=4 42 B8R1.23 O=C(O)C1CC(F)C1 PC405004 [0,0,0,0,1,0|2,0,1]=4 43 B8R1.23 O=C(O)C1CC(O)C1 OR308101 [0,0,0,0,1,0|1,0,2]=4 44 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 OR317124 [0,0,0,0,1,0|1,0,2]=4 45 B10R1.13 CC1=CCC(C(=O)O)CC1 OR310527 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.13 CC1CCC(C(=O)O)CC1 OR307149 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.13 CC1CCC(C(N)=O)CN1 OR302405 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 OR307147 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.13 O=C1CCC(C(=O)Cl)CC1 OR6382 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 OR55190 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 OR480267 [0,0,0,0,0,1|1,0,2]=4 52 B7R0.4 CSCCCC(=O)O OR307008 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.4 NCCCCC(=O)O OR24917 [1,0,1,0,0,0|0,0,1]=3 54 B7R0.5 COC[C@H](N)C(=O)O OR307094 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.5 NCCC(F)C(=O)O PC1076DC [1,0,1,0,0,0|2,0,0]=4 56 B7R0.5 NCC[C@@H](F)C(=O)O PC0651 [1,0,1,0,0,0|2,0,0]=4 57 B7R0.5 NCC[C@H](F)C(=O)O PC0372 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.5 N[C@H](CCO)C(=O)O OR304075 [1,0,1,0,0,0|0,0,1]=3 59 B7R0.6 CC(=O)NNC(C)=O OR6774 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.6 CC(=O)\C=C\C(=O)O OR22045 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.6 N=C(N)NCC(=O)O OR27969 [1,0,1,0,0,0|2,0,0]=4 62 B7R0.6 O=C(O)CCC(=O)O OR14341 [1,0,1,0,0,0|2,0,0]=4 63 B7R1.2 CC1COC(=O)N1 OR471432 [2,0,0,0,0,0|1,0,1]=4 64 B7R1.2 O=C1C[C@@H](O)CN1 OR322659 [2,0,0,0,0,0|2,0,0]=4 65 B9R0.6 CCCC(F)C(N)C(=O)O PC4049 [0,1,1,0,0,0|1,0,1]=4 66 B9R0.7 CC(CCC(=O)O)C(=O)O OR315231 [0,1,1,0,0,0|1,0,0]=3 67 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O OR8840 [0,1,1,0,0,0|0,0,0]=2 68 B9R0.39 CNC(CC(=O)O)C(=O)O OR322308 [0,1,1,0,0,0|2,0,0]=4 69 B9R0.1 O=C(O)CCNC(=O)CBr OR323192 [0,1,1,0,0,0|2,0,0]=4 70 B9R0.53 O=C(O)CC(=O)CC(=O)O OR11107 [0,1,1,0,0,0|1,0,1]=4 71 B9R1.11 CNC(=O)[C@@H]1CCCN1 OR451186 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.11 COC(=O)C1CCCC1 OR310647 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O OR315136 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O OR315137 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O OR307527 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O OR307663 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.163 NC1(C(=O)O)CCOC1 OR301385 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.163 O=C(O)C1(F)CCCC1 PC201151 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.22 COC(=O)C1CC=C(C)CC1 OR310542 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.22 COC(=O)C1CCC(C)NC1 OR302409 [0,1,0,0,0,1|1,0,1]=4 81 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 OR471053 [0,1,0,0,0,1|1,0,0]=3 82 B11R1.15 CCOC(=O)C1CNC(=O)C1 OR309174 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 OR322668 [0,2,0,0,0,0|0,0,0]=2 84 B11R1.15 CCOC(=O)[C@@H]1COC(=O)N1 OR304061 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 OR322498 [0,2,0,0,0,0|0,0,0]=2 86 B11R1.15 CCOC(=O)[C@H]1COC(=O)N1 OR304060 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.226 COC(=O)C1CC(=O)N(C)C1 OR300749 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.6 O=C(O)C1CCC=CO1 OR6614 [0,0,1,1,0,0|2,0,0]=4 89 B9R1.110 NC(C(=O)O)C1CCC1 OR317072 [0,0,1,1,0,0|1,0,1]=4 90 B9R1.110 NC(C(=O)O)C1COC1 OR317033 [0,0,1,1,0,0|2,0,0]=4 91 B9R1.110 N[C@@H](C(=O)O)C1CCC1 OR451130 [0,0,1,1,0,0|1,0,1]=4 92 B9R1.110 N[C@@H](C(=O)O)C1COC1 OR317253 [0,0,1,1,0,0|2,0,0]=4 93 B9R1.110 N[C@H](C(=O)O)C1CCC1 OR451131 [0,0,1,1,0,0|1,0,1]=4 94 B9R1.110 N[C@H](C(=O)O)C1COC1 OR317254 [0,0,1,1,0,0|2,0,0]=4 95 B9R1.112 NC(CC1CC1)C(=O)O OR451166 [0,0,1,1,0,0|1,0,1]=4 96 B9R1.112 N[C@@H](CC1CC1)C(=O)O OR451083 [0,0,1,1,0,0|1,0,1]=4 97 B9R1.112 N[C@H](CC1CC1)C(=O)O OR451082 [0,0,1,1,0,0|1,0,1]=4 98 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 OR317294 [0,0,1,1,0,0|1,0,1]=4 99 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2 OR307690 [0,0,0,1,0,1|1,0,1]=4 100 B11R2.60 O=C1CCC2C(=O)CCC12 OR28198 [0,1,0,1,0,0|2,0,0]=4 101 B7R0.16 C=C(C)[C@@H](N)C(=O)O OR480226 [0,0,1,0,1,0|2,0,0]=4 102 B7R0.16 O=C(O)C(F)C(=O)O PC53171 [0,0,1,0,1,0|2,0,0]=4 103 B7R1.18 NC(=O)C1CCN1 OR451001 [1,0,0,0,1,0|1,0,0]=3 104 B7R1.18 O=C(O)C1CCN1 OR309022 [1,0,0,0,1,0|0,0,0]=2 105 B7R1.18 O=C(O)C1CCO1 OR308010 [1,0,0,0,1,0|1,0,0]=3 106 B7R1.18 O=C(O)[C@H]1CCN1 OR317238 [1,0,0,0,1,0|0,0,0]=2 107 B7R1.12 O=C(O)C1CC1F PC201153 [0,0,0,0,2,0|1,0,1]=4 108 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400537 [0,0,0,0,2,0|1,0,1]=4 109 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F PC400540 [0,0,0,0,2,0|1,0,1]=4 110 B7R1.12 O=C(O)[C@@H]1C[C@H]1F PC400541 [0,0,0,0,2,0|1,0,1]=4 111 B7R1.12 O=C(O)[C@H]1C[C@@H]1F PC400539 [0,0,0,0,2,0|1,0,1]=4 112 B7R1.12 O=C(O)[C@H]1C[C@H]1F PC400536 [0,0,0,0,2,0|1,0,1]=4 113 B7R1.12 O=C(O)[C@H]1C[C@H]1I OR302646 [0,0,0,0,2,0|1,0,1]=4 114 B9R0.55 CC(=O)NCCCC(=O)O OR22610 [0,0,1,0,0,1|1,0,0]=3 115 B9R1.13 O=C(O)CC1CCCO1 OR480227 [1,0,0,0,0,1|1,0,1]=4 116 B9R1.13 O=C(O)CC1CCOC1 OR321471 [1,0,0,0,0,1|2,0,0]=4