0  B8R0.7  C#CCCCCC(=O)O CS-0020150 [0,0,0,0,0,0|0,0,4]=4
1  B8R0.7  O=C(O)CCCCCBr CS-W007559 [0,0,0,0,0,0|1,0,2]=3
2  B7R0.4  C(CCC)=CC(=O)O CS-W011247 [1,0,0,0,0,0|0,0,0]=1
3  B7R0.4  CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|1,0,2]=4
4  B9R1.6  O=C(O)C1COCCN1 CS-0043809 [0,0,0,1,0,0|2,0,1]=4
5  B9R1.13  CC(=O)NC1CCCC1 CS-D0484 [0,0,0,1,0,0|2,0,1]=4
6  B9R1.13  O=C(O)CC1CCCN1 CS-W017883 [0,0,0,1,0,0|1,0,2]=4
7  B9R1.41  CC1=C(C(=O)O)C=CN1 CS-0038738 [0,0,0,1,0,0|1,0,2]=4
8  B9R1.41  CN1N=CC=C1C(=O)O CS-D1713 [0,0,0,1,0,0|2,0,1]=4
9  B6R0.6  C=CCCCCBr CS-W008939 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.4  CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.4  CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.4  COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,0]=3
13  B8R0.8  CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|0,0,1]=3
14  B8R0.28  CN(C)CCCC(=O)O CS-W007989 [1,1,0,0,0,0|1,0,1]=4
15  B8R0.28  CN(C)C\C=C\C(=O)O CS-D1794 [1,1,0,0,0,0|1,0,0]=3
16  B8R1.5  CC1CCCCC1=O CS-W011265 [1,0,0,1,0,0|0,0,2]=4
17  B8R1.22  O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|0,0,0]=2
18  B8R1.7  CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|1,0,1]=4
19  B8R1.7  O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|0,0,1]=3
20  B10R1.13  C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|0,0,2]=4
21  B10R1.18  O=C(O)CN1CCOCC1 CS-M2897 [0,1,0,1,0,0|1,0,1]=4
22  B10R1.61  CN1CCCCC1C(=O)O CS-W021361 [0,1,0,1,0,0|0,0,2]=4
23  B10R1.61  CN1CCCC[C@H]1C(=O)O CS-W021154 [0,1,0,1,0,0|0,0,2]=4
24  B10R1.15  COC(=O)C1=CCCCC1 CS-W009174 [0,1,0,1,0,0|0,0,0]=2
25  B10R1.23  N[C@@H](C(=O)O)C1CCCC1 CS-D0303 [0,1,0,1,0,0|0,0,2]=4
26  B10R1.113  CC1CCCC(C(=O)O)N1 CS-0039203 [0,1,0,1,0,0|0,0,2]=4