0  B7R1.1  O=CN1CCCC1 HY-W102648 [0,0,0,0,0,0|2,0,2]=4
1  B7R1.1  O=NN1CCCC1 HY-W141077 [0,0,0,0,0,0|3,0,1]=4
2  B7R1.1  [C@H]1(CN)CCCO1 HY-W010601 [0,0,0,0,0,0|1,0,0]=1
3  B6R1.2  S=C1NCCO1 HY-W038985 [1,0,0,0,0,0|1,1,1]=4
4  B6R1.2  [C@H]1(F)CCNC1 HY-W004695 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.7  O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,1,0,0,0,0|1,0,1]=3
6  B8R1.7  O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,1,0,0,0,0|1,0,1]=3
7  B8R1.11  CCN1CCCC1=O HY-B1620D [0,1,0,0,0,0|3,0,0]=4
8  B8R1.11  CCN1CCCC1=O HY-B1620K [0,1,0,0,0,0|3,0,0]=4
9  B6R0.6  C#CCOCCBr HY-W190805 [0,0,1,0,0,0|1,0,2]=4
10  B6R0.6  C#CCOCCI HY-W251756 [0,0,1,0,0,0|1,0,2]=4
11  B6R0.6  NCCOCCS HY-140651 [0,0,1,0,0,0|1,1,0]=3
12  B6R0.6  NCCOCCS HY-168937D [0,0,1,0,0,0|1,1,0]=3
13  B6R0.6  OCCOCCO HY-B1952R [0,0,1,0,0,0|1,0,0]=2
14  B6R0.6  [N-]=[N+]=NCCCO HY-151851 [0,0,1,0,0,0|3,0,0]=4
15  B8R2.34  C1=CC2CCC1C2 HY-W013021 [0,0,0,1,0,0|2,0,1]=4
16  B6R1.6  OC[C@H]1CCN1 HY-W061628 [0,0,0,0,1,0|1,0,0]=2
17  B5R0.2  C=CCCCO HY-W010639 [1,0,1,0,0,0|0,0,2]=4
18  B5R0.3  CCC(O)CC HY-W087988 [1,0,1,0,0,0|1,0,0]=3
19  B5R0.3  CC[C@H](C)CO HY-W093104 [1,0,1,0,0,0|0,0,0]=2
20  B5R0.3  OCC(Cl)CO HY-W585827 [1,0,1,0,0,0|2,0,0]=4
21  B5R0.3  OCC(O)CS HY-W010572 [1,0,1,0,0,0|1,0,0]=3
22  B5R0.3  OC[13CH](O)CO HY-B1659S2 [1,0,1,0,0,0|1,0,0]=3
23  B5R0.3  O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,0,1,0,0,0|1,0,0]=3
24  B5R0.3  O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,0,1,0,0,0|1,0,0]=3
25  B5R1.1  C1CSCN1 HY-I0144 [2,0,0,0,0,0|1,1,0]=4
26  B7R0.2  CC(C)C[C@H](N)CO HY-W015876 [0,1,1,0,0,0|1,0,0]=3
27  B7R0.2  O=C([O-])C[C@H](O)CO HY-113304A [0,1,1,0,0,0|1,0,1]=4
28  B7R0.10  O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,1,1,0,0,0|1,0,1]=4
29  B7R0.1  C=CCCCCCO HY-W127475 [0,1,1,0,0,0|1,0,0]=3
30  B7R0.1  COCCOCCBr HY-133277 [0,1,1,0,0,0|1,0,0]=3
31  B7R0.1  COCCOCCO HY-140697 [0,1,1,0,0,0|0,0,0]=2
32  B7R0.1  COCCOCCS HY-140707 [0,1,1,0,0,0|0,1,0]=3
33  B7R0.1  COCCOCCS HY-140709 [0,1,1,0,0,0|0,1,0]=3
34  B7R0.4  O=C(O)COCCO HY-W591338A [0,1,1,0,0,0|1,0,1]=4
35  B7R0.4  O=C(O)COCCO HY-W591338B [0,1,1,0,0,0|1,0,1]=4
36  B7R0.4  O=C(O)COCCS HY-140728 [0,1,1,0,0,0|1,0,1]=4
37  B7R1.4  CC1OCCC1=O HY-W010608 [1,1,0,0,0,0|0,0,1]=3
38  B7R1.14  O=S1(=O)CCCO1 HY-W010479 [1,1,0,0,0,0|1,0,1]=4
39  B9R1.6  O=C(O)C1CCCCN1 HY-Y0669 [0,1,0,0,0,1|1,0,1]=4
40  B9R1.8  CCCC1CCCCN1 HY-W099757 [0,1,0,0,0,1|2,0,0]=4
41  B9R1.163  C[C@@]1(C(=O)O)CCCN1 HY-76962 [0,2,0,0,0,0|1,0,1]=4
42  B5R1.2  C[C@H]1CCN1 HY-35279 [1,0,0,0,1,0|1,0,0]=3