0 B7R0.6 O=C(O)COC(F)F 89985 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 O=C(O)\C=C\CF AT12709 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.4 O=C(O)\C=C\CO AT11505 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,1,0,0,0,0|0,0,3]=4 4 B8R0.23 CC(=O)\C=C(/C)N(C)C D80987 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.29 CS(C)(=O)=NCC(=O)O C77465 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [0,0,0,1,0,0|1,0,2]=4 9 B8R1.3 O=C1CCC(=O)NC1 65254 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,1,0,0|1,0,1]=3 11 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,1,0,0|1,0,1]=3 12 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,0,0,1,0,0|1,0,2]=4 15 B6R0.2 C[C@H](O)CN(C)C AT22519 [0,0,0,0,1,0|2,0,1]=4 16 B6R0.2 O=C(O)CC(F)F P18472 [0,0,0,0,1,0|2,0,1]=4 17 B8R0.28 NC(=O)CNCC(=O)O A10558 [0,0,0,0,0,1|2,0,1]=4 18 B5R0.1 CN(C)NC=O 20013 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,1,0,0,0,1|0,0,2]=4 20 B9R0.11 CN(C)CC(F)(F)C(=O)O F53141 [0,2,0,0,0,0|1,0,1]=4 21 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31361 [0,2,0,0,0,0|0,0,2]=4 22 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31362 [0,2,0,0,0,0|0,0,2]=4 23 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 32003 [0,2,0,0,0,0|0,0,2]=4 24 B9R0.39 CC(C)C[C@@H](CN)C(=O)O F15243 [0,2,0,0,0,0|0,0,2]=4 25 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81510 [0,2,0,0,0,0|0,0,2]=4 26 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O AT26519 [0,2,0,0,0,0|0,1,1]=4 27 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,2,0,0,0,0|0,0,2]=4 28 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|0,0,2]=4 29 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|0,0,2]=4 30 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 S11070 [0,0,0,1,0,1|1,0,1]=4 33 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,0,0,1,0,1|0,0,2]=4 34 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,0,0,1,0,1|0,0,2]=4 35 B9R1.55 CN1C[C@@H](C(=O)O)C1=O P20405 [0,1,0,1,0,0|1,0,0]=3 36 B9R1.69 C[C@@H]1OC(=O)COC1=O D75679 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 D77011 [0,1,0,1,0,0|0,0,2]=4 38 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [0,1,0,1,0,0|0,0,2]=4 39 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [0,1,0,1,0,0|0,0,2]=4 40 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 38906 [0,1,0,1,0,0|0,0,2]=4