0  B7R0.3  COC(=O)CCCN S6066 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.1  COC(=O)CCN S6219 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.4  C(CC(=O)O)CN S4700 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.4  C(CC(=O)O)CN S4700 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.4  CSCCC(=O)O S6341 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.6  C(COCCBr)O S1686 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.6  C(COCCN)N S1800 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  CCC=CCCO S6059 [1,0,0,0,0,0|2,0,0]=3
8  B6R0.6  CCCC=CC=O S6303 [1,0,0,0,0,0|2,0,1]=4
9  B8R1.1  CCC1CCC(=O)O1 S6265 [0,0,0,1,0,0|0,0,0]=1
10  B5R0.1  C(CN)C(=O)O S5526 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.1  CCCC(=O)[O-] S1999 [2,0,0,0,0,0|1,0,0]=3
12  B5R0.1  CCCC(=O)[O-] S1999 [2,0,0,0,0,0|1,0,0]=3
13  B5R0.1  CCOC(=O)N S4544 [2,0,0,0,0,0|1,0,0]=3
14  B5R0.1  CCOC(=O)N S4544 [2,0,0,0,0,0|1,0,0]=3
15  B5R0.1  CNCC(=O)O S4702 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  CNCC(=O)O S4702 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.5  CCOC(=O)C(=O)C S6243 [1,1,0,0,0,0|0,0,1]=3
18  B7R0.6  CC(C)CCC(=O)O S6278 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.1  COCCOCCN S0639 [1,1,0,0,0,0|1,0,1]=4
20  B7R1.2  C1CC(=O)OC1=O S0586 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.3  C1CCC(=O)CC1 S6236 [1,0,0,1,0,0|0,0,0]=2
22  B7R1.4  C=C1CCOC1=O S5148 [1,0,0,1,0,0|0,0,2]=4
23  B7R1.4  CC1C(=O)CCO1 S6274 [1,0,0,1,0,0|1,0,0]=3
24  B7R1.4  CN1CCCC1=O S6282 [1,0,0,1,0,0|1,0,0]=3
25  B9R1.138  CC1(COC(=O)C1O)C S6027 [0,1,0,1,0,0|1,0,0]=3