0  B6R0.1  CCCC(N)CO A18883 [1,0,0,0,0,0|3,0,0]=4
1  B6R0.1  CCOC(=O)CN A14488 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.1  CCO\C(C)=N/O H17707 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.6  CCCCCCBr S19038 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.22  C=CC(OCC)OCC A12759 [0,1,0,0,0,0|0,0,1]=2
5  B8R0.22  CCOC(CBr)OCC B3470 [0,1,0,0,0,0|0,0,0]=1
6  B8R1.4  CC1CNCC(C)C1 L11275 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.4  CC1CNCC(C)N1 D0949 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.4  C[C@H]1CNC[C@@H](C)N1 D11681 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.4  C[C@H]1CNC[C@@H](C)O1 D6725 [0,0,0,1,0,0|2,0,0]=3
10  B8R1.8  BrCCC1OCCO1 B8236 [0,0,0,1,0,0|3,0,0]=4
11  B8R1.8  CCCC1CCCN1 P17208 [0,0,0,1,0,0|2,0,0]=3
12  B8R1.8  OCC[C@@H]1CCCN1 P17212 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.22  CC1CCNCCN1 M15502 [0,0,0,1,0,0|3,0,0]=4
14  B5R0.1  CCC[C@H](C)O P4807 [2,0,0,0,0,0|1,0,0]=3
15  B5R0.1  COC[C@@H](C)O M5850 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  COC[C@H](C)O M5856 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.3  CC(CN)CO A15437 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.3  CCOCC(O)CN A15120 [1,1,0,0,0,0|2,0,0]=4
19  B9R0.18  CCOCC(N)COCC E17053 [0,2,0,0,0,0|1,0,0]=3
20  B9R0.17  CCOC(OCC)OCC T18839 [0,2,0,0,0,0|0,0,0]=2
21  B7R1.1  BrCC1CCCC1 B18461 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.1  CCC1CCCN1 E15991 [1,0,0,1,0,0|1,0,0]=3
23  B7R1.1  NC[C@H]1CCCO1 T11002 [1,0,0,1,0,0|1,0,0]=3
24  B7R1.1  OC[C@@H]1CCCN1 P2200 [1,0,0,1,0,0|2,0,0]=4
25  B7R1.1  OC[C@H]1CCCN1 P6137 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.1  OC[C@H]1CCCN1 P6137 [1,0,0,1,0,0|2,0,0]=4
27  B7R1.3  BrC1CCCCN1 B7610 [1,0,0,1,0,0|2,0,0]=4
28  B7R1.3  CC1CCCCN1 M6451 [1,0,0,1,0,0|1,0,0]=3
29  B7R1.3  CC1CCCNC1 P3032 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.3  CC1CCNCC1 M11273 [1,0,0,1,0,0|2,0,0]=4
31  B7R1.3  CN1CCCCC1 M3042 [1,0,0,1,0,0|2,0,0]=4
32  B7R1.3  C[C@@H]1CNCCN1 R6055 [1,0,0,1,0,0|2,0,0]=4
33  B7R1.3  C[C@H]1CCCCN1 M3041 [1,0,0,1,0,0|1,0,0]=3
34  B7R1.4  CC1OCCC1=O M5424 [1,0,0,1,0,0|1,0,1]=4
35  B7R1.4  CC1OCCC1S T12619 [1,0,0,1,0,0|1,0,0]=3
36  B9R1.8  NCCC1CNCCO1 A13319 [0,1,0,1,0,0|2,0,0]=4
37  B9R1.12  CCCCC1CCCN1 B15289 [0,1,0,1,0,0|2,0,0]=4
38  B9R1.12  OCCCC1CCCN1 P17209 [0,1,0,1,0,0|2,0,0]=4
39  B9R1.14  CCN1CCCC1CN A3386 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.14  CCN1CCC[C@@H]1CN A18149 [0,1,0,1,0,0|2,0,0]=4
41  B9R1.14  CCN1CCC[C@H]1CN A18150 [0,1,0,1,0,0|2,0,0]=4
42  B9R1.14  CCN1CCC[C@H]1CN P6764 [0,1,0,1,0,0|2,0,0]=4