0  B9R1.35  O=C(O)C1=NC(O)=NN1 PHBB_SC-09987 [0,0,0,0,0,0|2,0,2]=4
1  B9R1.35  O=C(O)[C@@H]1C[C@@H](O)CN1 PHBB_SC-09597 [0,0,0,0,0,0|0,0,0]=0
2  B9R1.35  O=C1CCC(C(=O)O)N1 PHBB_NC-00791 [0,0,0,0,0,0|2,0,2]=4
3  B8R1.7  NC(=O)C1CCCN1 PHBB_NC-01767 [1,0,0,0,0,0|1,0,0]=2
4  B8R1.7  O=C(O)C1CCCO1 PHBB_SC-04940 [1,0,0,0,0,0|1,0,0]=2
5  B8R1.7  O=C(O)C1CSCN1 PHBB_NC-02234 [1,0,0,0,0,0|1,0,0]=2
6  B8R1.7  O=C(O)C1NCCS1 PHBB_SC-11671 [1,0,0,0,0,0|1,0,0]=2
7  B10R1.359  O=C(O)C1CCS(=O)(=O)C1 PHBB_SC-04388 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.8  CCCCC(Br)C(=O)O PHBB_SC-04834 [0,0,1,0,0,0|3,0,0]=4
9  B8R0.8  CCCCC(N)C(=O)O PHBB_SC-05891 [0,0,1,0,0,0|3,0,0]=4
10  B8R0.9  NCC(=O)NCC(=O)O PHBB_NC-03794 [0,0,1,0,0,0|1,0,2]=4
11  B8R0.23  CC(C)C[C@H](N)C(N)=O PHBB_NC-02069 [0,0,1,0,0,0|2,0,0]=3
12  B8R0.23  O=C(O)CC(S)C(=O)O PHBB_SC-05179 [0,0,1,0,0,0|2,0,1]=4
13  B8R0.23  [C@@H](N)(CC(=O)O)C(=O)O PHBB_NC-01974 [0,0,1,0,0,0|1,0,1]=3
14  B8R0.28  CC(C)CNCC(C)O PHBB_SC-06892 [0,0,1,0,0,0|2,0,1]=4
15  B8R0.28  CC(O)CNCC(C)O PHBB_SC-05198 [0,0,1,0,0,0|1,0,1]=3
16  B8R0.28  CN(C)CCCC(=O)O PHBB_SC-06113 [0,0,1,0,0,0|3,0,0]=4
17  B8R0.28  O=C(O)CNCC(=O)O PHBB_SC-09585 [0,0,1,0,0,0|1,0,1]=3
18  B8R1.23  O=C1CC(C(=O)O)C1 PHBB_SC-05459 [0,0,0,0,1,0|0,0,2]=3
19  B10R1.113  NC1CCCC(C(=O)O)C1 PHBB_SC-07087 [0,0,0,0,0,1|2,0,0]=3
20  B7R0.4  CCCCCC(C)=O PHBB_SC-04832 [1,0,1,0,0,0|2,0,0]=4
21  B7R0.4  CCC\C=C/C(=O)O PHBB_NC-01804 [1,0,1,0,0,0|1,0,1]=4
22  B7R0.4  NCCCCC(=O)O PHBB_NC-02991 [1,0,1,0,0,0|0,0,0]=2
23  B7R0.6  CC(=O)CCC(=O)O PHBB_SC-00197 [1,0,1,0,0,0|0,0,2]=4
24  B7R0.6  CC(C)OCC(=O)O PHBB_SC-03839 [1,0,1,0,0,0|2,0,0]=4
25  B7R1.1  OC[C@@H]1CCCN1 PHBB_SC-12126 [2,0,0,0,0,0|0,0,1]=3
26  B9R0.53  NN(CC(=O)O)CC(=O)O PHBB_SC-01692 [0,1,1,0,0,0|1,0,1]=4
27  B9R1.11  CNC(=O)[C@@H]1CCCN1 PHBB_NC-03071 [1,1,0,0,0,0|1,0,0]=3
28  B9R1.11  COC(=O)[C@@H]1CCCN1 PHBB_NC-02940 [1,1,0,0,0,0|0,0,0]=2
29  B9R1.11  NNC(=O)C1CCCO1 PHBB_SC-08234 [1,1,0,0,0,0|2,0,0]=4
30  B9R1.11  N\C(=N/O)C1CCCC1 PHBB_SC-12023 [1,1,0,0,0,0|2,0,0]=4
31  B11R1.730  CC1(C)CC(C(=O)O)CCO1 PHBB_NC-01698 [0,1,0,0,0,1|2,0,0]=4
32  B9R1.6  NC(=O)C1CCCCN1 PHBB_SC-08762 [0,0,1,1,0,0|2,0,0]=4
33  B9R1.6  O=C(O)C1CCCCN1 PHBB_SC-11307 [0,0,1,1,0,0|1,0,0]=3
34  B9R1.6  O=C(O)C1CCCNC1 PHBB_SC-08474 [0,0,1,1,0,0|2,0,0]=4
35  B7R0.16  CC(C)C(Br)C(=O)O PHBB_SC-00103 [0,0,1,0,1,0|2,0,0]=4
36  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O PHBB_SC-06218 [0,0,1,0,1,0|0,0,0]=2
37  B7R1.18  O=C(O)C1CCC1 PHBB_SC-04033 [1,0,0,0,1,0|0,0,0]=2
38  B7R1.18  O=C(O)C1CNC1 PHBB_SC-12123 [1,0,0,0,1,0|1,0,0]=3
39  B9R1.13  O=C(O)CN1CCCC1 PHBB_SC-03695 [1,0,0,0,0,1|2,0,0]=4