0 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,0,0,1,0,0|3,0,0]=4 2 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P18694 [0,0,0,1,0,0|1,0,2]=4 3 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,0,0,1,0,0|2,0,0]=3 4 B7R0.15 CO[C@@H](CN)C(=O)O E72815 [0,0,0,0,1,0|3,0,0]=4 5 B6R0.2 CC(N)CC(C)O AT23544 [2,0,0,0,0,0|1,0,1]=4 6 B6R0.4 CC(=O)CCCN C77428 [2,0,0,0,0,0|2,0,0]=4 7 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [1,1,0,0,0,0|2,0,0]=4 8 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [1,1,0,0,0,0|2,0,0]=4 9 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [1,1,0,0,0,0|1,0,0]=3 10 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [1,1,0,0,0,0|2,0,0]=4 11 B8R0.19 COC(=O)CC(=O)CF AT24447 [1,1,0,0,0,0|0,0,2]=4 12 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [1,1,0,0,0,0|2,0,0]=4 13 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [1,1,0,0,0,0|2,0,0]=4 14 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [1,0,0,1,0,0|0,0,2]=4 15 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [1,0,0,1,0,0|1,0,0]=3 16 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [1,0,0,1,0,0|2,0,0]=4 17 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [1,0,0,1,0,0|2,0,0]=4 18 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [1,0,0,1,0,0|0,0,0]=2 19 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [1,0,0,1,0,0|1,0,1]=4 20 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [1,0,0,1,0,0|2,0,0]=4 21 B8R1.20 CC1CC1CC(=O)O E72880 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.31 O=C(O)C1CCC1O D74978 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.42 CC(=O)OC1(C)CC1 D96854 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.42 CC1(CC(=O)O)CC1 D86405 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.43 COC1CC1C(=O)O C77471 [1,0,0,1,0,0|1,0,0]=3 30 B8R1.12 CNC1CCC1OC AT11411 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.82 CNCC1(OC)CC1 D74328 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,0,0,1,1,0|1,0,0]=3 33 B10R1.18 O=C(O)C[C@H]1CNCCO1 77653 [0,1,0,1,0,0|2,0,0]=4 34 B10R1.18 O=C(O)C[C@H]1COCCO1 AT10088 [0,1,0,1,0,0|1,0,0]=3 35 B10R1.18 O=C(O)C[C@H]1COCCO1 AT10089 [0,1,0,1,0,0|1,0,0]=3 36 B10R1.491 C#CC1CC(OC)(OC)C1 94351 [0,1,0,1,0,0|1,0,1]=4 37 B10R1.491 COC1(OC)CC(C#N)C1 AT20703 [0,1,0,1,0,0|1,0,1]=4 38 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [0,1,0,1,0,0|2,0,0]=4 39 B10R1.113 O=C1CCO[C@H](C(=O)O)C1 AT12462 [0,1,0,1,0,0|2,0,0]=4 40 B10R2.62 O=C1CC2CCC1CN2 P19482 [0,0,0,2,0,0|2,0,0]=4 41 B10R2.71 OC1CC2COC(C1)O2 AT23582 [0,0,0,2,0,0|0,0,2]=4 42 B10R2.534 O=C1CCOC2(CC2)C1 AT24691 [0,0,0,2,0,0|1,0,0]=3 43 B10R2.2 O=C1CC2CCCC2C1 AT20192 [0,0,0,2,0,0|2,0,0]=4 44 B10R2.2 O=C1C[C@@H]2CCCN2C1 D74394 [0,0,0,2,0,0|2,0,0]=4 45 B10R2.2 O=C1C[C@@H]2CCC[C@@H]2C1 AT20194 [0,0,0,2,0,0|2,0,0]=4 46 B10R2.2 O=C1C[C@H]2CCO[C@H]2O1 D74252 [0,0,0,2,0,0|2,0,0]=4