0  B6R0.1  CNC(=O)CCCl 310786 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  CCCS(=O)[O-] 035598 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  C#CCCCBr 099558 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.2  C=CCCCCl 097807 [1,0,0,0,0,0|1,0,2]=4
4  B5R0.2  CC\C=C\CBr 104983 [1,0,0,0,0,0|1,0,2]=4
5  B7R0.2  CNC(=O)CC(C)C 103448 [0,1,0,0,0,0|1,0,2]=4
6  B7R0.3  CCCCC(N)CC 214311 [0,1,0,0,0,0|1,0,0]=2
7  B7R0.3  CCN(C)CCCO 310482 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.3  CNC(=O)CCOC 091206 [0,1,0,0,0,0|1,0,2]=4
9  B7R0.7  CCCC(C)N=C=O 097755 [0,1,0,0,0,0|2,0,1]=4
10  B7R1.3  C[C@@H]1CCCCN1 044539 [0,0,0,1,0,0|2,0,0]=3
11  B7R1.4  CN1CCCC1=O 105571 [0,0,0,1,0,0|1,0,2]=4
12  B4R0.2  CC[Zn]CC 105051 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.5  CC(F)(F)CCO 101918 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.5  COCC(C)(C)N 044036 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.6  C=CCCCNC 104140 [1,1,0,0,0,0|0,0,2]=4
16  B6R0.6  CCOCCNC 104271 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.9  CCN(CC)CC 005055 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.9  CCN(CC)CC 005055 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.9  CCP(CC)CC 099082 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.19  CCC(C)CC(N)CC 214313 [0,2,0,0,0,0|1,0,0]=3
21  B8R0.1  CCNC(=O)CCOC 091207 [0,2,0,0,0,0|0,0,2]=4
22  B8R0.14  CCC[C@H](N)C(F)(F)F 094866 [0,2,0,0,0,0|2,0,0]=4
23  B8R0.30  OCCC(F)(F)CCO 097878 [0,2,0,0,0,0|2,0,0]=4
24  B8R0.20  CCN(C)C(OC)OC 094101 [0,2,0,0,0,0|2,0,0]=4
25  B6R1.2  BrC1CCOC1 079615 [1,0,0,1,0,0|2,0,0]=4
26  B6R1.2  CC1CCCO1 105578 [1,0,0,1,0,0|0,0,0]=2
27  B6R1.2  C[C@H]1CCNC1 034511 [1,0,0,1,0,0|2,0,0]=4
28  B6R1.1  C1=NCCCC1 403930 [1,0,0,1,0,0|1,0,1]=4
29  B6R1.6  NNC1CCC1 070609 [1,0,0,1,0,0|2,0,0]=4
30  B6R1.6  SCC1CCC1 099277 [1,0,0,1,0,0|1,0,0]=3
31  B8R1.4  CC1CCCC(C)[NH2+]1 031072 [0,1,0,1,0,0|1,0,0]=3
32  B8R1.2  Cl[Mg]C1CCOCC1 100463 [0,1,0,1,0,0|2,0,0]=4
33  B8R1.3  CC1CCN(C)CC1 032558 [0,1,0,1,0,0|1,0,0]=3
34  B8R1.3  C[C@H]1CO[C@@H](C)CN1 227316 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.5  N[C@@H]1CCCC[C@@H]1O 093768 [0,1,0,1,0,0|0,0,0]=2
36  B8R1.19  NC1CCCC1(F)F 094234 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.6  CCCN1CC(O)C1 102939 [0,1,0,1,0,0|2,0,0]=4
38  B8R1.8  CCN[C@H]1CCNC1 046812 [0,1,0,1,0,0|2,0,0]=4
39  B8R1.8  CNCC1CCCC1 104275 [0,1,0,1,0,0|1,0,0]=3
40  B8R1.11  O=C1CCCC1CO 364082 [0,1,0,1,0,0|0,0,2]=4
41  B8R1.72  CC1(C)CCCNC1 044592 [0,1,0,1,0,0|2,0,0]=4