0  B6R0.1  COC(=O)CCN S6219 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  C(CN)C(=O)O S5526 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.1  CCCC(=O)[O-] S1999 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.1  CCCC(=O)[O-] S1999 [1,0,0,0,0,0|1,0,2]=4
4  B5R0.1  CNCC(=O)O S4702 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.1  CNCC(=O)O S4702 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.2  C(CCN)CN S5344 [1,0,0,0,0,0|2,0,0]=3
7  B5R0.2  C(CCN)CN S5825 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.2  C(CCN)CN S5825 [1,0,0,0,0,0|2,0,0]=3
9  B5R0.3  C(C(CO)O)O S2766 [1,0,0,0,0,0|2,0,0]=3
10  B7R0.2  CCC(C)CC(=O)O S6089 [0,1,0,0,0,0|2,0,1]=4
11  B7R0.3  COC(=O)CCCN S6066 [0,1,0,0,0,0|1,0,2]=4
12  B7R0.5  CCCC(C(=O)O)N S6334 [0,1,0,0,0,0|2,0,1]=4
13  B7R0.7  CN(CCCl)CCCl S4252 [0,1,0,0,0,0|3,0,0]=4
14  B7R0.10  C(C(C(CO)O)O)O S4224 [0,1,0,0,0,0|2,0,0]=3
15  B7R0.10  C(C(C(CS)O)O)S S6829 [0,1,0,0,0,0|2,0,0]=3
16  B7R0.10  C(C(C(CS)O)O)S S6829 [0,1,0,0,0,0|2,0,0]=3
17  B7R1.3  C1CCC(=O)CC1 S6236 [0,0,0,1,0,0|0,0,2]=3
18  B7R1.4  CC1C(=O)CCO1 S6274 [0,0,0,1,0,0|1,0,2]=4
19  B7R1.4  CN1CCCC1=O S6282 [0,0,0,1,0,0|1,0,2]=4
20  B4R0.1  CC(CO)O S6258 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.2  CC(C)CC(=O)O S6287 [1,1,0,0,0,0|1,0,1]=4
22  B6R0.2  CC(CC(=O)O)O S1031 [1,1,0,0,0,0|1,0,1]=4
23  B6R0.3  CCC(C(=O)O)N S6203 [1,1,0,0,0,0|1,0,1]=4
24  B6R0.3  CCC(C(=O)O)N S6330 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.3  CCC(C(=O)O)O S6119 [1,1,0,0,0,0|1,0,1]=4
26  B6R0.4  C(CC(=O)O)CN S4700 [1,1,0,0,0,0|1,0,1]=4
27  B6R0.4  C(CC(=O)O)CN S4700 [1,1,0,0,0,0|1,0,1]=4
28  B6R0.4  CSCCC(=O)O S6341 [1,1,0,0,0,0|1,0,1]=4
29  B6R0.6  C(CCN)CCN S6357 [1,1,0,0,0,0|1,0,0]=3
30  B6R0.6  C(COCCBr)O S1686 [1,1,0,0,0,0|2,0,0]=4
31  B6R0.6  C(COCCN)N S1800 [1,1,0,0,0,0|2,0,0]=4
32  B6R0.6  CCC=CCCO S6059 [1,1,0,0,0,0|0,0,2]=4
33  B8R0.23  CC(C)CC(C(=O)O)O S6046 [0,2,0,0,0,0|1,0,1]=4
34  B6R1.2  CN1CCCC1 S6216 [1,0,0,1,0,0|2,0,0]=4
35  B6R1.1  C1CNCCN1 S4574 [1,0,0,1,0,0|2,0,0]=4
36  B6R1.1  C1CNCCN1 S4574 [1,0,0,1,0,0|2,0,0]=4
37  B8R1.1  CCC1CCC(=O)O1 S6265 [0,1,0,1,0,0|0,0,1]=3
38  B8R1.4  CC1CCCC(N1)C S4992 [0,1,0,1,0,0|1,0,0]=3
39  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3
40  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3
41  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3