0  B12R1.2345  CCC1(C(=O)C=CNC1=O)CC MCULE-7842760182 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.2345  CCC1(C(=O)CCNC1=O)CC MCULE-4323898488 [0,0,0,0,0,0|0,0,2]=2
2  B13R1.11471  CCC1(C(=N)NC(=N)NC1=O)CC MCULE-2001690876 [0,1,0,0,0,0|2,0,0]=3
3  B13R1.11471  CCC1(C(=N)NC(=O)NC1=O)CC MCULE-6246825970 [0,1,0,0,0,0|2,0,0]=3
4  B13R1.11471  CCC1(C(=N)NC(=S)NC1=O)CC MCULE-8481020350 [0,1,0,0,0,0|2,0,0]=3
5  B13R1.11471  CCC1(C(=O)N=C(NC1=O)[O-])CC MCULE-5459943840 [0,1,0,0,0,0|1,0,0]=2
6  B13R1.11471  CCC1(C(=O)NC(=N)NC1=O)CC MCULE-1709172161 [0,1,0,0,0,0|1,0,0]=2
7  B13R1.11471  CCC1(C(=O)NC(=O)NC1=O)CC MCULE-2107172999 [0,1,0,0,0,0|1,0,0]=2
8  B13R1.11471  CCC1(C(=O)NC(=S)NC1=O)CC MCULE-4001144475 [0,1,0,0,0,0|1,0,0]=2
9  B13R1.11471  CCC1(C(=O)NC(=S)NC1=S)CC MCULE-8221567061 [0,1,0,0,0,0|1,1,0]=3
10  B13R1.11471  CCC1(C(=S)NC(=S)NC1=S)CC MCULE-3390882938 [0,1,0,0,0,0|1,2,0]=4
11  B10R0.159  CCC(CC)(C(=O)O)C(=O)O MCULE-5203614790 [1,0,1,0,0,0|2,0,0]=4
12  B12R0.37  CCC(CC)(C(=O)[O-])C(=O)C(=O)[O-] MCULE-5193792629 [0,1,1,0,0,0|2,0,0]=4
13  B12R0.37  CCC(CC)(C(=O)[O-])C(=O)C(=O)[O-] MCULE-5260478341 [0,1,1,0,0,0|2,0,0]=4
14  B12R1.3817  CCC1(COC(=O)NC1=O)CC MCULE-4884980134 [1,1,0,0,0,0|1,0,1]=4
15  B14R1.363  CCC1(C(=O)NC(=O)N=C1SC)CC MCULE-2908006172 [0,2,0,0,0,0|1,1,0]=4
16  B14R1.29994  C=CCC1(C(=O)NC(=O)NC1=O)CC MCULE-5441423437 [0,2,0,0,0,0|1,0,1]=4
17  B14R1.29994  CCCC1(C(=N)NC(=O)NC1=O)CC MCULE-9023821217 [0,2,0,0,0,0|2,0,0]=4
18  B14R1.7042  CCC1(C(=O)N=C(NC1=O)NN)CC MCULE-9738915300 [0,2,0,0,0,0|1,0,0]=3
19  B14R1.25886  CCC1(C(=N)N(C(=O)NC1=O)C)CC MCULE-5901344742 [0,2,0,0,0,0|2,0,0]=4
20  B14R1.25886  CCC1(C(=O)NC(=O)N(C1=O)C)CC MCULE-9702939099 [0,2,0,0,0,0|1,0,0]=3
21  B14R1.25886  CCC1(C(=O)NC(=S)N(C1=O)C)CC MCULE-8230790382 [0,2,0,0,0,0|1,0,0]=3
22  B12R1.74  CCC(CC)C(=O)C1=CC=CS1 MCULE-3613457671 [0,0,1,1,0,0|1,1,0]=4
23  B12R1.2303  C=CN1CCC(C1=O)(CC)CC MCULE-2167829766 [0,0,1,1,0,0|1,0,1]=4
24  B10R1.478  CCC1(CCNC1=O)CC MCULE-8163445045 [1,0,0,0,1,0|0,0,2]=4