0  B10R0.19  CCOC(=O)[C@@H](N)CCSC OR26814 [1,0,0,0,0,0|2,0,0]=3
1  B10R0.19  CCO\C=C(/C)C(=O)OCC OR60192 [1,0,0,0,0,0|1,0,2]=4
2  B12R1.16  CCOC(=O)C1CCC(=O)CC1 OR5848 [0,0,0,1,0,0|1,0,1]=3
3  B12R1.16  CCOC(=O)C1CCN(C)CC1 OR13632 [0,0,0,1,0,0|1,0,0]=2
4  B12R1.16  CCOC(=O)C1CCN(C)CC1 OR460036 [0,0,0,1,0,0|1,0,0]=2
5  B12R1.16  CCOC(=O)N1CCC(=O)CC1 OR6942 [0,0,0,1,0,0|2,0,1]=4
6  B12R1.16  CCOC(=O)N1CCC(N)CC1 OR6931 [0,0,0,1,0,0|2,0,0]=3
7  B12R1.16  CCOC(=O)N1CCC(O)CC1 OR8802 [0,0,0,1,0,0|2,0,0]=3
8  B12R1.16  CCOC(=O)[C@H]1CC[C@H](N)CC1 OR55285 [0,0,0,1,0,0|1,0,0]=2
9  B12R1.308  CCOC(=O)C1CCCSC1=O OR25344 [0,0,0,1,0,0|2,0,1]=4
10  B12R1.308  CCOC(=O)C1CSCCC1=O OR300631 [0,0,0,1,0,0|2,0,1]=4
11  B12R1.3395  CCOC(=O)C1(C#N)CCCC1 OR110743 [0,0,0,1,0,0|1,0,1]=3
12  B9R0.5  CCOC(=O)CCCCBr OR322208 [2,0,0,0,0,0|1,0,0]=3
13  B9R0.5  CC\C=C\CC(=O)OCC OR6031 [2,0,0,0,0,0|0,0,2]=4
14  B9R0.8  CCCCC(C)C(C)CC OR54624 [2,0,0,0,0,0|1,0,1]=4
15  B9R0.8  COC(=O)C(Br)CCCBr OR8857 [2,0,0,0,0,0|2,0,0]=4
16  B9R0.35  C=CCC(C)C(=O)OCC OR6034 [2,0,0,0,0,0|0,0,2]=4
17  B9R0.35  CCOC(=O)C(Cl)OCC OR10840 [2,0,0,0,0,0|2,0,0]=4
18  B9R0.37  CCOC(=O)C(C#N)CC OR12466 [2,0,0,0,0,0|1,0,1]=4
19  B9R0.13  CCCCC(CC)C(=O)O OR16495 [2,0,0,0,0,0|0,0,0]=2
20  B9R0.13  CCCCC(CC)C(=O)[O-] OR46573 [2,0,0,0,0,0|0,0,1]=3
21  B11R0.61  CCOC(=O)C(OCC)OCC OR0457 [1,1,0,0,0,0|1,0,0]=3
22  B11R0.88  CCC(CC(=O)OC)C(=O)OC OR7128 [1,1,0,0,0,0|1,0,1]=4
23  B13R0.159  CCOC(=O)C(CCSC)NC(C)=O OR0963 [0,2,0,0,0,0|1,0,1]=4
24  B11R1.15  CCOC(=O)[C@@H]1CC(C)CN1 OR61345 [1,0,0,1,0,0|1,0,0]=3
25  B11R1.16  CCOC(=O)C1CCCCN1 OR5106 [1,0,0,1,0,0|1,0,0]=3
26  B11R1.16  CCOC(=O)C1CCCNC1 OR4197 [1,0,0,1,0,0|1,0,0]=3
27  B11R1.16  CCOC(=O)C1CCNCC1 OR0070 [1,0,0,1,0,0|1,0,0]=3
28  B11R1.16  CCOC(=O)C1CNCCO1 OR40501 [1,0,0,1,0,0|2,0,0]=4
29  B11R1.16  CCOC(=O)C1CSCCN1 OR1445 [1,0,0,1,0,0|2,0,0]=4
30  B11R1.16  CCOC(=O)C1CSCCN1 OR59472 [1,0,0,1,0,0|2,0,0]=4
31  B11R1.16  CCOC(=O)N1CCNCC1 OR6852 [1,0,0,1,0,0|2,0,0]=4
32  B11R1.16  CCOC(=O)[C@@H]1CCCNC1 OR8969 [1,0,0,1,0,0|1,0,0]=3
33  B11R1.16  CCOC(=O)[C@H]1CCCNC1 OR8970 [1,0,0,1,0,0|1,0,0]=3
34  B11R1.199  CCOC(=O)C1CCCC1=O OR24955 [1,0,0,1,0,0|1,0,1]=4
35  B11R1.22  COC(=O)C1CCC(O)CC1 OR27594 [1,0,0,1,0,0|1,0,0]=3
36  B11R1.22  COC(=O)N1CCC(O)CC1 OR303041 [1,0,0,1,0,0|2,0,0]=4
37  B11R1.22  COC(=O)[C@H]1CC[C@H](N)CC1 OR61067 [1,0,0,1,0,0|1,0,0]=3
38  B13R1.19  CCOC(=O)CC1CCC(=O)CC1 OR40563 [0,0,0,1,0,1|1,0,1]=4
39  B13R1.1575  CCOC(=O)C=C1CCCCCN1 OR29154 [0,0,0,1,0,1|1,0,1]=4
40  B13R1.446  CCOC(=O)C1CN(C)CCN1C OR3900 [0,1,0,1,0,0|2,0,0]=4