0 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.2 O=C(O)CC(F)F P18472 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.3 C=C[C@H](N)C(=O)O F31036 [1,0,0,0,0,0|0,0,2]=3 3 B6R0.3 CC(C)[C@@H](N)CO Y13602 [1,0,0,0,0,0|0,0,1]=2 4 B6R0.3 C[C@@H](CN)C(=O)O 31999 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.3 N[C@H](CS)S(=O)O D72263 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,1,0,0,0,0|0,0,0]=1 7 B8R0.18 CO[C@H](C(=O)O)C(C)C 96142 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.27 CC(C)(F)[C@H](N)C(=O)O D79269 [0,1,0,0,0,0|0,0,0]=1 9 B8R1.31 CC1CCC1C(=O)O D96793 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.31 O=C(O)C1CCC1F P19066 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.50 CC1CCC(C)C1N F12413 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,0,0,1,0,0|2,0,0]=3 14 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,0,0,0,0,1|1,0,1]=3 15 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19556 [0,0,0,0,0,1|2,0,0]=3 16 B5R0.1 C=CC[C@H](C)N D84793 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.1 CN(C)NC=O 20013 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.3 C=C[C@@H](N)CC 68012 [2,0,0,0,0,0|1,0,0]=3 19 B5R0.3 C=C[C@@H](N)CO Y14326 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.5 CC(N)C(C)O Y13729 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.5 C[C@H](N)[C@H](C)O F16993 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.5 CC(C)[C@@H](N)CC#N Y14204 [1,1,0,0,0,0|1,0,1]=4 23 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [1,1,0,0,0,0|1,0,0]=3 24 B7R0.13 NCC(F)(F)C(=O)O AC6133 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [1,1,0,0,0,0|1,0,0]=3 26 B9R0.11 CN(C)CC(F)(F)C(=O)O F53141 [0,1,0,0,0,1|2,0,0]=4 27 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31361 [0,1,0,0,0,1|0,0,0]=2 28 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31362 [0,1,0,0,0,1|0,0,0]=2 29 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 32003 [0,1,0,0,0,1|0,0,0]=2 30 B9R0.39 CC(C)C[C@@H](CN)C(=O)O F15243 [0,1,0,0,0,1|0,0,0]=2 31 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81510 [0,1,0,0,0,1|0,0,0]=2 32 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26519 [0,1,0,0,0,1|0,1,0]=3 33 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,1,0,0,0,1|0,0,0]=2 34 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,1,0,0|0,0,0]=2 35 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,1,0,0|0,0,0]=2 36 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|0,0,0]=2 38 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|0,0,0]=2 39 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.4 C[C@H]1CCNC1=O D72754 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.17 CC1(C)OC[C@@H]1N P17954 [1,0,0,1,0,0|0,0,1]=3 47 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.22 NC[C@H](N)C1CC1 Y14018 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [1,0,0,1,0,0|0,0,1]=3 51 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,1,0,1|1,0,0]=3 52 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,0,0,1,0,1|2,0,0]=4 53 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,0,0,1,0,1|2,0,0]=4 54 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,0,0,1,0,1|2,0,0]=4 55 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [0,0,0,1,0,1|1,0,0]=3 56 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,0,0,1,0,1|2,0,0]=4 57 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,0,0,1,0,1|2,0,0]=4 58 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [0,0,0,1,0,1|1,0,0]=3 59 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [0,0,0,1,0,1|1,0,0]=3 60 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P14629 [0,0,0,1,0,1|2,0,0]=4 61 B9R1.152 NC1(C(=O)O)CC(O)C1 P17228 [0,0,0,1,0,1|1,0,0]=3 62 B9R1.152 NC1CC(F)(C(=O)O)C1 D79210 [0,0,0,1,0,1|2,0,0]=4 63 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P13808 [0,0,0,1,0,1|1,0,0]=3 64 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 P18177 [0,0,0,1,0,1|2,0,0]=4 65 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 38906 [0,0,0,1,0,1|2,0,0]=4 66 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N 31660 [0,1,0,1,0,0|0,0,0]=2 67 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,1,0,1,0,0|0,0,0]=2 68 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,1,0,1,0,0|1,0,0]=3 70 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,1,0,1,0,0|1,0,0]=3 73 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P15218 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3555 [0,1,0,1,0,0|0,0,0]=2 79 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P14104 [0,1,0,1,0,0|0,0,0]=2 80 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19391 [0,1,0,1,0,0|0,0,0]=2 81 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,1,0,1,0,0|0,0,0]=2 83 B9R1.166 O=C(O)[C@H]1CCC1(F)F P10782 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.102 CC(C)(O)[C@@H](N)C1CC1 53165 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.165 O=C(O)C(F)(F)C1CC1 F30353 [0,1,0,1,0,0|1,0,0]=3 86 B7R0.6 O=C(O)COC(F)F 89985 [1,0,0,0,0,1|2,0,0]=4 87 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,0,0,0,0,2|1,0,0]=3