0  B7R0.4  C=CCCCC(=O)O F1913-3310 [0,0,0,0,0,0|0,0,4]=4
1  B7R0.4  CCCCCB(O)O F0001-1263 [0,0,0,0,0,0|1,0,3]=4
2  B7R0.4  CCCCCC(=O)Cl F0001-0498 [0,0,0,0,0,0|1,0,2]=3
3  B6R0.4  C#CCCC(=O)O F1913-1832 [1,0,0,0,0,0|0,0,3]=4
4  B6R0.4  CCCCB(O)O F0001-1206 [1,0,0,0,0,0|1,0,2]=4
5  B6R0.4  CSCCC(C)=O F0001-0996 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.4  N#CCCC(=O)O F8884-9159 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.4  NC(=O)NCCO F1019-0075 [1,0,0,0,0,0|3,0,0]=4
8  B6R0.6  CC\C=C\CCO F0001-2233 [1,0,0,0,0,0|0,0,3]=4
9  B8R0.5  CCOC(=O)CC(=O)Cl F0001-1038 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.6  CCCCOC(=O)CS F0001-0048 [0,1,0,0,0,0|1,1,1]=4
11  B8R0.7  NCCCCCC(=O)O F2191-0201 [0,1,0,0,0,0|0,0,2]=3
12  B8R1.1  CC1=CC=C(CN)O1 F0001-0484 [0,0,0,1,0,0|2,0,1]=4
13  B8R1.1  CCC1=CC=C(C)S1 F0001-1487 [0,0,0,1,0,0|1,1,1]=4
14  B8R1.4  CC1=NC=CC(O)=N1 F8880-8549 [0,0,0,1,0,0|2,0,1]=4
15  B8R1.7  O=C(O)C1=CC=NN1 F3250-0675 [0,0,0,1,0,0|2,0,1]=4
16  B8R1.7  O=C(O)C1=COC=N1 F0001-0803 [0,0,0,1,0,0|2,0,1]=4
17  B8R1.7  O=C(O)C1=NOC=C1 F8887-4797 [0,0,0,1,0,0|2,0,1]=4
18  B8R1.7  O=C(O)C1CCNC1 F0001-1559 [0,0,0,1,0,0|1,0,2]=4
19  B8R1.34  O=C(O)CC1CCC1 F8889-2823 [0,0,0,1,0,0|0,0,2]=3
20  B5R0.2  CCCCC=O F2190-0583 [2,0,0,0,0,0|0,0,1]=3
21  B5R0.2  CCCCCO F0001-1831 [2,0,0,0,0,0|0,0,2]=4
22  B7R0.2  CCC(=O)CC(C)=O F8880-5203 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.5  NC(CCO)C(=O)O F2127-0018 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.6  CC(C)SCC(=O)O F3249-0157 [1,1,0,0,0,0|1,0,1]=4
25  B9R0.13  CCCCC(CC)C(=O)O F0001-0703 [0,2,0,0,0,0|0,0,2]=4
26  B9R0.51  CCCCC(C)(C)C(=O)O F2147-6048 [0,2,0,0,0,0|0,0,2]=4
27  B7R1.2  CC1=CC=C(C)O1 F0001-1679 [1,0,0,1,0,0|1,0,1]=4
28  B7R1.18  CC(=O)C1CCC1 F0001-0928 [1,0,0,1,0,0|1,0,1]=4
29  B7R1.18  NC(=O)C1CCC1 F1913-0022 [1,0,0,1,0,0|1,0,1]=4
30  B7R1.1  N#CC1=CCCC1 F9995-1512 [1,0,0,1,0,0|1,0,1]=4
31  B7R1.4  CC1CCCC1=O F9995-1299 [1,0,0,1,0,0|0,0,2]=4
32  B9R1.7  CCCC1=NNC(=O)C1 F3146-4773 [0,1,0,1,0,0|1,0,1]=4
33  B9R1.7  CNCC1=CC=C(C)O1 F2169-1269 [0,1,0,1,0,0|1,0,1]=4
34  B9R1.13  O=C(O)CC1CCNC1 F2197-0065 [0,1,0,1,0,0|0,0,2]=4
35  B9R1.41  CN1C=CN=C1C(=O)O F2124-0530 [0,1,0,1,0,0|1,0,1]=4
36  B9R1.6  O=C(O)C1CCNCC1 F0001-1572 [0,1,0,1,0,0|0,0,2]=4
37  B9R1.6  O=C(O)[C@H]1CCCNC1 F0001-2356 [0,1,0,1,0,0|0,0,2]=4
38  B9R1.110  NC(C(=O)O)C1CCC1 F8887-4032 [0,1,0,1,0,0|0,0,2]=4
39  B9R1.112  NC(CC1CC1)C(=O)O F8883-1565 [0,1,0,1,0,0|0,0,2]=4