0  B5R0.2  N#CCCC=O F20778 [1,0,0,0,0,0|1,0,2]=4
1  B5R0.2  NC\C=C/CN C13830 [1,0,0,0,0,0|2,0,0]=3
2  B7R1.1  OC[C@@H]1C=CCC1 74782 [0,0,0,1,0,0|0,0,2]=3
3  B7R1.4  CN1CC=CC1=O N13365 [0,0,0,1,0,0|1,0,2]=4
4  B7R1.4  C[C@H]1CCNC1=O D72754 [0,0,0,1,0,0|1,0,2]=4
5  B6R0.4  O=C(O)\C=C\CF AT12709 [1,1,0,0,0,0|1,0,0]=3
6  B6R0.4  O=C(O)\C=C\CO AT11505 [1,1,0,0,0,0|1,0,0]=3
7  B8R0.7  NCCOCCC(=O)O C72750 [0,2,0,0,0,0|1,0,1]=4
8  B8R0.5  CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|0,0,2]=4
9  B8R1.5  [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|1,0,1]=4
10  B8R1.8  NCCC1=CN=CS1 S10751 [0,1,0,1,0,0|1,1,0]=4
11  B8R1.49  C1=CCCC=CCC1 F10040 [0,1,0,1,0,0|1,0,0]=3
12  B8R1.1  CCC1=CN=C(N)S1 C13826 [0,1,0,1,0,0|1,1,0]=4
13  B8R1.3  C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|1,0,1]=4
14  B8R1.3  C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|1,0,1]=4
15  B8R1.3  O=C1CCC(=O)NC1 65254 [0,1,0,1,0,0|1,0,0]=3
16  B8R1.3  O=C1CCS(=O)CC1 D86028 [0,1,0,1,0,0|1,0,1]=4
17  B8R1.50  CC1=CNC(=O)N1C AT20167 [0,1,0,1,0,0|2,0,0]=4
18  B8R1.4  CC1=CCCC(=O)C1 D79894 [0,1,0,1,0,0|0,0,0]=2
19  B8R1.4  C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|1,0,1]=4
20  B8R1.4  C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|0,0,2]=4
21  B8R1.4  N[C@@H]1COCC(=O)C1 91465 [0,1,0,1,0,0|1,0,1]=4
22  B8R1.4  O=C1C=COC(=O)C1 A11284 [0,1,0,1,0,0|1,0,1]=4
23  B8R1.7  C[C@H](N)C1=CC=CO1 Y14798 [0,1,0,1,0,0|0,0,2]=4
24  B8R1.7  C[C@H](N)C1=CC=CS1 Y14840 [0,1,0,1,0,0|0,1,1]=4
25  B8R1.7  C[C@H](N)C1=COC=C1 D81573 [0,1,0,1,0,0|2,0,0]=4
26  B8R1.7  NC(=O)[C@H]1CCNC1 30954 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.31  CC1CCC1C(=O)O D96793 [0,1,0,1,0,0|0,0,2]=4
28  B8R1.34  O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|1,0,1]=4
29  B8R2.38  O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|0,0,2]=4
30  B8R2.4  O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|0,0,2]=4