0 B7R0.4 CC(=O)OCCCO Y14698 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 O=C(O)\C=C\CF AT12709 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.4 O=C(O)\C=C\CO AT11505 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,1,0,0,0,0|1,0,2]=4 4 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,0,0,1,0,0|1,0,2]=4 11 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.31 CC1CCC1C(=O)O D96793 [0,0,0,1,0,0|1,0,2]=4 14 B7R0.3 CNC(=O)CCCO F10217 [1,1,0,0,0,0|1,0,1]=4 15 B7R0.3 COC(=O)\C=C\CN AT20735 [1,1,0,0,0,0|1,0,0]=3 16 B9R0.58 CCCS(=O)(=O)CC(C)=O 79567 [0,2,0,0,0,0|1,0,1]=4 17 B9R0.5 CCCCNC(=O)CCC D86376 [0,2,0,0,0,0|1,0,1]=4 18 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,1,0,0|1,0,0]=3 19 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,1,0,0|1,0,0]=3 20 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,1,0,0|2,0,0]=4 21 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [1,0,0,1,0,0|1,0,0]=3 22 B7R1.10 O=C1C[C@H](CI)N1 W18669 [1,0,0,1,0,0|2,0,0]=4 23 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [1,0,0,1,0,0|2,0,0]=4 24 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [1,0,0,1,0,0|2,0,0]=4 25 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|1,0,1]=4 26 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|1,0,1]=4 27 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,1,0,0|1,0,1]=4 28 B7R1.4 CN1CC=CC1=O N13365 [1,0,0,1,0,0|1,0,0]=3 29 B7R1.4 C[C@H]1CCNC1=O D72754 [1,0,0,1,0,0|1,0,1]=4 30 B9R1.7 CC1=NC=C(CCO)S1 D96356 [0,1,0,1,0,0|1,1,0]=4 31 B9R1.22 NC[C@H]1CC(=O)NC1=O 27856 [0,1,0,1,0,0|2,0,0]=4 32 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,1,0,1,0,0|1,0,1]=4 33 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,1,0,1,0,0|1,0,1]=4 34 B9R1.40 [BH3-]C1=CCCCC1(C)C AC8579 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,1,0,1,0,0|0,0,2]=4 36 B9R2.139 O=C1CC2(CC2)CN1 87107 [0,0,0,2,0,0|1,0,1]=4 37 B9R2.139 O=C1CCC2(CC2)C1 P20949 [0,0,0,2,0,0|0,0,2]=4 38 B9R2.8 O=C1CC2CC(C1)C2 P20287 [0,0,0,2,0,0|0,0,2]=4 39 B9R2.7 O=C1NC2CCCC12 D70003 [0,0,0,2,0,0|1,0,1]=4