0  B13R1.718  COC(=O)CCCC1=CC=CC=C1 CS-D0496 [0,0,0,0,0,0|0,0,0]=0
1  B13R1.718  COC(=O)CNCC1=CC=CC=C1 CS-W022790 [0,0,0,0,0,0|1,0,0]=1
2  B12R1.252  O=C(O)CCNC1=CC=CC=C1 CS-W021779 [1,0,0,0,0,0|1,0,0]=2
3  B14R1.743  COC(=O)CC(=O)CC1=CC=CC=C1 CS-W005173 [0,1,0,0,0,0|0,0,1]=2
4  B14R2.19  O=C1N[C@@H](CC2=CC=CC=C2)CO1 CS-D1593 [0,0,0,1,0,0|1,0,0]=2
5  B14R2.68  O=C1CCN(C2=CC=CC=C2)CC1 CS-W005481 [0,0,0,1,0,0|2,0,0]=3
6  B12R1.27  COC(=O)CCC1=CC=CC=C1 CS-W007828 [0,0,0,0,1,0|0,0,0]=1
7  B13R1.9  CCCCCCC1=CC=C(N)C=C1 CS-W019284 [1,1,0,0,0,0|1,0,1]=4
8  B13R1.351  C[C@@H](OCC1=CC=CC=C1)C(=O)O CS-M3394 [1,1,0,0,0,0|1,0,0]=3
9  B13R1.351  C[C@H](OCC1=CC=CC=C1)C(=O)O CS-M0016 [1,1,0,0,0,0|1,0,0]=3
10  B13R1.351  N[C@@H](CCC1=CC=CC=C1)C(=O)O CS-M2900 [1,1,0,0,0,0|0,0,0]=2
11  B13R1.351  N[C@@H](CSC1=CC=CC=C1)C(=O)O CS-0033656 [1,1,0,0,0,0|1,0,0]=3
12  B13R1.351  O=C(O)C(=O)CCC1=CC=CC=C1 CS-W019322 [1,1,0,0,0,0|0,0,1]=3
13  B13R1.14  COC(=O)CCC1=CC=C(Br)C=C1 CS-D0634 [0,1,0,0,1,0|0,0,0]=2
14  B13R1.135  COC(=O)C(O)CC1=CC=CC=C1 CS-W018849 [0,1,0,0,1,0|0,0,0]=2
15  B13R1.135  COC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W019793 [0,1,0,0,1,0|0,0,0]=2
16  B13R1.135  [C@H](O)(CC1=CC=CC=C1)C(=O)OC CS-W007891 [0,1,0,0,1,0|0,0,0]=2
17  B13R2.3  C1=CC=C(C2CCCCC2)C=C1 CS-W016155 [1,0,0,1,0,0|1,0,1]=4
18  B13R2.3  C1=CC=C(C2CCNCC2)C=C1 CS-D0605 [1,0,0,1,0,0|2,0,0]=4
19  B13R2.10  O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [1,0,0,1,0,0|1,0,0]=3
20  B13R2.10  [C@@H]1(C2=CC=CC=C2)COC(O)=N1 CS-W017924 [1,0,0,1,0,0|2,0,0]=4
21  B13R2.72  CC(=O)N1CCC2=CC=CC=C21 CS-W010870 [1,0,0,1,0,0|1,0,0]=3
22  B15R2.29  CC1=CCN(CC2=CC=CC=C2)CC1 CS-M0732 [0,0,0,1,0,1|2,0,0]=4
23  B15R2.3  O=C1CCC(C2=CC=C(Cl)C=C2)CC1 CS-W019468 [0,1,0,1,0,0|1,0,0]=3
24  B15R2.31  O=C1CCCN(CC2=CC=CC=C2)C1 CS-W009502 [0,1,0,1,0,0|2,0,0]=4
25  B11R1.91  CC(=O)NNC1=CC=CC=C1 CS-W018141 [1,0,0,0,1,0|2,0,0]=4
26  B11R1.91  O=C(O)C#CC1=CC=CC=C1 CS-W007319 [1,0,0,0,1,0|0,0,2]=4
27  B11R1.91  O=C(O)COC1=CC=CC=C1 CS-0013736 [1,0,0,0,1,0|1,0,0]=3
28  B11R1.172  O=C(O)CCCC1=CC=CS1 CS-W020036 [1,0,0,0,1,0|1,0,0]=3
29  B11R1.40  COC(=O)CC1=CC=NC=C1 CS-0015139 [0,0,0,0,2,0|1,0,0]=3