0  B9R0.48  C=C(C)\C=C\C(=O)OCC 4074677 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.9  CCC(=O)NCC(=O)O 4027002 [1,0,0,0,0,0|2,0,0]=3
2  B8R0.9  CCN(C)CCC(=O)O 4027808 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.9  CCN(C)CCC(=O)O 4089689 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.9  CCS(=O)CCC(=O)O 4027513 [1,0,0,0,0,0|2,0,0]=3
5  B10R0.26  CCOC(=O)CC(N)C(C)C 4012462 [0,1,0,0,0,0|1,0,1]=3
6  B10R1.64  CN(C)CC1CCCC1=O 4023728 [0,0,0,1,0,0|3,0,0]=4
7  B10R1.64  O=C(O)CN1CCCC1=O 4002073 [0,0,0,1,0,0|3,0,0]=4
8  B10R1.64  O=C(O)CN1CCOC1=O 4002138 [0,0,0,1,0,0|2,0,0]=3
9  B10R1.66  O=C(O)CCC1CCCO1 4027244 [0,0,0,1,0,0|2,0,1]=4
10  B10R1.66  O=C(O)CCN1CCCO1 4013267 [0,0,0,1,0,0|3,0,0]=4
11  B10R1.140  CCOC(=O)C1CC(=O)C1 4108294 [0,0,0,1,0,0|0,0,0]=1
12  B8R0.5  CCCS(=O)CC(=O)O 4027354 [0,0,0,0,1,0|3,0,0]=4
13  B8R0.5  COCC(=O)CC(C)=O 4036230 [0,0,0,0,1,0|2,0,0]=3
14  B7R0.3  CNCCC(=O)NC 4030744 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.7  CCNC(=O)CCCl 4027744 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.7  CCOC(=O)CCO 4040900 [2,0,0,0,0,0|0,0,1]=3
17  B7R0.4  CCSCCC(=O)O 4028457 [2,0,0,0,0,0|1,1,0]=4
18  B7R0.6  CC(=O)CCN(C)C 4090669 [2,0,0,0,0,0|2,0,0]=4
19  B7R0.6  CC(=O)CCN(C)C 5108147 [2,0,0,0,0,0|2,0,0]=4
20  B9R0.5  CCOC(=O)CCN=C=O 3001880 [1,1,0,0,0,0|0,0,1]=3
21  B9R0.7  CC(C)C(=O)NCC(=O)O 4029604 [1,1,0,0,0,0|2,0,0]=4
22  B9R0.42  CCC(=O)NC(C)C(=O)O 4026814 [1,1,0,0,0,0|2,0,0]=4
23  B11R0.1  CCOC(=O)CC(N)CC(C)C 4012459 [0,1,0,0,0,1|1,0,1]=4
24  B9R1.48  CC1CCCCC(=O)N1 4085312 [1,0,0,1,0,0|1,0,1]=4
25  B9R1.49  CC1CCNC(=O)CC1 4041565 [1,0,0,1,0,0|1,0,1]=4
26  B9R1.6  CC(=O)C1CCCNC1 4005879 [1,0,0,1,0,0|2,0,0]=4
27  B9R1.6  CC(=O)C1CCCNC1 4087824 [1,0,0,1,0,0|2,0,0]=4
28  B9R1.6  O=C(O)C1CCOCC1 4004296 [1,0,0,1,0,0|1,0,1]=4
29  B9R1.13  O=C(O)CC1CCOC1 4004832 [1,0,0,1,0,0|1,0,1]=4
30  B9R1.41  C[C@@H]1OCC[C@H]1C(=O)O 4085092 [1,0,0,1,0,0|1,0,1]=4
31  B9R1.35  O=C1CC(C(=O)O)CN1 4002892 [1,0,0,1,0,0|2,0,0]=4
32  B9R1.35  O=C1N[C@H](C(=O)O)CO1 4045606 [1,0,0,1,0,0|2,0,0]=4
33  B9R1.82  COC(=O)[C@H]1C[C@@H](N)C1 4046250 [1,0,0,1,0,0|1,0,1]=4
34  B9R1.82  COC(=O)[C@H]1C[C@H](N)C1 4047525 [1,0,0,1,0,0|1,0,1]=4
35  B9R1.185  CCC(=O)C1CC1(C)C 4032891 [1,0,0,1,0,0|1,0,1]=4
36  B9R1.137  CC(=O)CC(=O)C1CC1 5108777 [0,0,0,1,1,0|1,0,0]=3
37  B11R1.90  O=C(O)CCC1CCOC1=O 4034163 [0,0,0,1,0,1|1,0,0]=3
38  B11R1.90  O=C(O)CCN1CCCC1=O 4002563 [0,0,0,1,0,1|2,0,0]=4
39  B11R1.157  O=C(O)CN1CCNC(=O)C1 4014694 [0,0,0,1,0,1|2,0,0]=4
40  B11R1.48  CCN1CC(C(=O)O)CC1=O 4340933 [0,1,0,1,0,0|2,0,0]=4
41  B11R1.86  O=C(O)CC1NCCNC1=O 4004068 [0,1,0,1,0,0|2,0,0]=4
42  B7R0.2  CCC(C)CC(C)=O 4031282 [1,0,0,0,1,0|1,0,1]=4
43  B7R0.2  CCN(C)CC(C)=O 4028374 [1,0,0,0,1,0|2,0,0]=4
44  B7R0.2  CCN(C)CC(C)=O 4088950 [1,0,0,0,1,0|2,0,0]=4
45  B7R0.2  CNC(=O)CC(=O)O 4027258 [1,0,0,0,1,0|2,0,0]=4
46  B7R0.2  COC(=O)CC(=N)N 4042869 [1,0,0,0,1,0|2,0,0]=4