0  B7R0.9  CC(=O)CC(C)(C)O PHBB_NC-02018 [0,0,0,0,0,0|0,1,2]=3
1  B6R0.2  CC(C)CC(=O)Cl PHBB_SC-08426 [1,0,0,0,0,0|1,0,2]=4
2  B6R0.2  CC(C)CC(=O)O PHBB_NC-02034 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.2  CC(O)CC(=O)O PHBB_NC-02996 [1,0,0,0,0,0|1,1,1]=4
4  B6R0.2  CN(C)CC(=O)O PHBB_SC-04767 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.2  CN(C)CN(C)C PHBB_SC-06208 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.5  C[N+](C)(C)CCO PHBB_NC-02013 [1,0,0,0,0,0|2,0,0]=3
7  B8R0.27  [C@H](N)(C(=O)O)C(C)(C)S PHBB_NC-01723 [0,1,0,0,0,0|1,0,1]=3
8  B8R0.27  [C@H](N)(C(=O)O)C(C)(C)S PHBB_NC-03442 [0,1,0,0,0,0|1,0,1]=3
9  B8R0.34  C#CC(C)(O)CC(C)C PHBB_SC-07944 [0,1,0,0,0,0|1,1,1]=4
10  B8R0.34  CN(C)CC(C)(C)C=O PHBB_SC-03604 [0,1,0,0,0,0|2,1,0]=4
11  B8R1.51  O=S1(=O)CCC(O)C1 PHBB_SC-00699 [0,0,0,1,0,0|2,1,0]=4
12  B6R0.7  CC(C)(N)C(=O)O PHBB_SC-08466 [0,0,0,0,1,0|2,0,1]=4
13  B5R0.1  C=C(C)CCO PHBB_NC-02008 [2,0,0,0,0,0|0,0,2]=4
14  B5R0.1  CC(=O)CCO PHBB_SC-08418 [2,0,0,0,0,0|0,1,1]=4
15  B5R0.1  CC(C)=CCO PHBB_NC-02002 [2,0,0,0,0,0|0,0,2]=4
16  B5R0.1  CC(C)CC=O PHBB_NC-03017 [2,0,0,0,0,0|0,0,2]=4
17  B5R0.1  CC(C)CCBr PHBB_SC-08456 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.1  CC(C)CCI PHBB_SC-12249 [2,0,0,0,0,0|1,0,0]=3
19  B5R0.1  CC(C)CCS PHBB_SC-08348 [2,0,0,0,0,0|0,1,0]=3
20  B5R0.1  CC(O)CCO PHBB_SC-11802 [2,0,0,0,0,0|0,1,0]=3
21  B5R0.1  CCCC(C)O PHBB_SC-05052 [2,0,0,0,0,0|0,0,0]=2
22  B5R0.1  CN(C)CCCl PHBB_SC-05225 [2,0,0,0,0,0|2,0,0]=4
23  B5R0.1  CN(C)CCN PHBB_SC-10777 [2,0,0,0,0,0|2,0,0]=4
24  B5R0.4  CC(C)(N)CO PHBB_SC-04746 [2,0,0,0,0,0|1,0,0]=3
25  B7R0.2  COC(=O)CC(C)C PHBB_SC-04883 [1,1,0,0,0,0|0,0,2]=4
26  B7R0.16  CC(C)C(Br)C(=O)O PHBB_SC-00103 [1,1,0,0,0,0|1,0,1]=4
27  B9R1.133  CC1(C)OC[C@@H](CO)O1 PHBB_NC-00596 [0,1,0,1,0,0|1,1,0]=4
28  B5R0.5  CC(C)C(=O)O PHBB_SC-04925 [1,0,0,0,1,0|1,0,1]=4
29  B5R0.5  CC(S)C(=O)O PHBB_SC-06200 [1,0,0,0,1,0|1,0,1]=4
30  B7R0.6  CC(C)OCC(=O)O PHBB_SC-03839 [1,0,0,0,0,1|1,0,1]=4