0  B9R0.7  CS(=O)CCC(N)C(=O)O BB_SC-12678 [0,0,0,0,0,0|2,0,0]=2
1  B9R0.7  O=C(O)CCC(=O)C(=O)O BB_NC-02331 [0,0,0,0,0,0|1,0,1]=2
2  B8R0.8  CCCCC(Br)C(=O)O BB_SC-06728 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.8  CCCCC(N)C(=O)O BB_SC-08743 [1,0,0,0,0,0|1,0,1]=3
4  B8R0.8  CSCCC(N)C(=O)O BB_NC-01175 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.28  CN(C)CCCC(=O)O BB_SC-09188 [1,0,0,0,0,0|3,0,0]=4
6  B8R0.28  O=C(O)CNCC(=O)O BB_SC-09398 [1,0,0,0,0,0|1,0,0]=2
7  B10R0.82  COC(=O)CC[C@H](N)C(=O)O BB_NC-02940 [0,1,0,0,0,0|0,0,0]=1
8  B10R1.13  O=C1CCC(C(=O)O)=NN1 BB_SC-03397 [0,0,0,1,0,0|1,0,2]=4
9  B10R1.58  CN1CC(C(=O)O)CC1=O BB_SC-09463 [0,0,0,1,0,0|3,0,0]=4
10  B10R1.349  CC(=O)N1CC(C(=O)O)C1 BB_SC-12269 [0,0,0,1,0,0|3,0,0]=4
11  B10R1.359  O=C(O)C1CCS(=O)(=O)C1 BB_SC-06164 [0,0,0,1,0,0|2,0,1]=4
12  B8R0.23  C=C(CC(=O)O)C(=O)O BB_NC-02310 [0,0,0,0,1,0|1,0,1]=3
13  B8R0.23  CC(=O)NC(C)C(=O)O BB_NC-00510 [0,0,0,0,1,0|3,0,0]=4
14  B8R0.23  C[C@H](NC(N)=O)C(=O)O BB_NC-02469 [0,0,0,0,1,0|3,0,0]=4
15  B8R0.23  O=C(O)CC(S)C(=O)O BB_SC-07196 [0,0,0,0,1,0|1,0,0]=2
16  B8R0.23  [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,0,0,0,1,0|0,0,0]=1
17  B10R0.98  N[C@@H](CSCC(=O)O)C(=O)O BB_NC-03299 [0,0,0,0,0,1|0,0,0]=1
18  B7R0.4  NCCCCC(=O)O BB_NC-02189 [2,0,0,0,0,0|1,0,1]=4
19  B7R0.6  CC(=O)CCC(=O)O BB_SC-00144 [2,0,0,0,0,0|1,0,1]=4
20  B9R0.8  [C@H](N)(CCSC)C(=O)OC BB_NC-01736 [1,1,0,0,0,0|2,0,0]=4
21  B9R0.47  [C@@H](N)(CCCCN)C(=O)O BB_NC-02205 [1,1,0,0,0,0|1,0,1]=4
22  B9R0.47  [C@H](N)(CCNCC)C(=O)O BB_NC-01745 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.53  C\C(=C/C(=O)O)CC(=O)O BB_NC-02781 [1,1,0,0,0,0|0,0,2]=4
24  B9R0.53  NN(CC(=O)O)CC(=O)O BB_SC-02560 [1,1,0,0,0,0|1,0,0]=3
25  B9R0.53  O=C(O)CC(=O)CC(=O)O BB_NC-02274 [1,1,0,0,0,0|0,0,1]=3
26  B9R0.39  CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,1,0,0,1,0|0,0,0]=2
27  B9R0.79  O=C(O)C(Br)C(Br)C(=O)O BB_SC-06913 [0,1,0,0,1,0|1,0,0]=3
28  B9R0.79  O=C(O)C(O)C(O)C(=O)O BB_NC-02292 [0,1,0,0,1,0|1,0,0]=3
29  B11R0.206  O=C(O)C(O)C(O)C(O)C(=O)O BB_NC-00128 [0,2,0,0,0,0|1,0,0]=3
30  B11R0.28  CC(=O)CCC(C(=O)O)C(C)C BB_NC-00191 [0,2,0,0,0,0|2,0,0]=4
31  B11R0.146  CCCC(CCC(C)=O)C(=O)O BB_NC-00228 [0,2,0,0,0,0|2,0,0]=4
32  B9R1.6  O=C(O)C1CCCCN1 BB_SC-11513 [1,0,0,1,0,0|1,0,1]=4
33  B9R1.35  O=C1CCC(C(=O)O)N1 BB_NC-00504 [1,0,0,1,0,0|0,0,0]=2
34  B11R1.75  O=C(O)CCC1=NC(O)=NN1 BB_SC-10431 [0,0,0,1,0,1|1,0,1]=4
35  B7R0.16  CC(C(=O)O)C(=O)O BB_SC-06503 [0,0,0,0,2,0|1,0,0]=3
36  B7R0.16  CC(O)C(N)C(=O)O BB_SC-09459 [0,0,0,0,2,0|1,0,1]=4
37  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,0,0,0,2,0|1,0,1]=4
38  B9R0.55  O=C(O)CCCCC(=O)O BB_SC-07132 [1,0,0,0,0,1|0,0,0]=2
39  B11R0.29  N=C(N)NCCCC(N)C(=O)O BB_NC-02220 [0,0,0,0,0,2|2,0,0]=4
40  B11R0.29  NC(=O)NCCCC(N)C(=O)O BB_SC-06414 [0,0,0,0,0,2|1,0,0]=3