0  B6R0.6  C#CCOCCN S1946 [0,0,0,0,0,0|2,0,2]=4
1  B6R0.6  C#CCOCCO S1780 [0,0,0,0,0,0|1,1,2]=4
2  B6R0.6  C(CCN)CCN S6357 [0,0,0,0,0,0|2,0,0]=2
3  B6R0.6  C(COCCBr)O S1686 [0,0,0,0,0,0|2,1,0]=3
4  B6R0.6  C(COCCN)N S1800 [0,0,0,0,0,0|3,0,0]=3
5  B6R0.6  CCC=CCCO S6059 [0,0,0,0,0,0|0,1,2]=3
6  B6R0.6  CCCC=CC=O S6303 [0,0,0,0,0,0|0,1,3]=4
7  B5R0.2  C(CCN)CN S5344 [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  B5R0.2  C(CCN)CN S5825 [1,0,0,0,0,0|2,0,0]=3
10  B7R0.1  C(CSSCCN)N S3695 [0,1,0,0,0,0|3,0,0]=4
11  B7R0.1  C(CSSCCO)N S0683 [0,1,0,0,0,0|2,1,0]=4
12  B7R0.1  COCCOCCN S0639 [0,1,0,0,0,0|2,0,0]=3
13  B7R0.3  COC(=O)CCCN S6066 [0,1,0,0,0,0|2,0,1]=4
14  B7R0.4  CCCCCC(C)N S4520 [0,1,0,0,0,0|1,0,0]=2
15  B7R0.4  CCCCCC(C)N S4520 [0,1,0,0,0,0|1,0,0]=2
16  B7R0.7  CN(CCCl)CCCl S4252 [0,1,0,0,0,0|3,0,0]=4
17  B7R1.3  C1CCC(=O)CC1 S6236 [0,0,0,1,0,0|0,1,1]=3
18  B7R1.4  CC1C(=O)CCO1 S6274 [0,0,0,1,0,0|1,1,1]=4
19  B7R1.4  CN1CCCC1=O S6282 [0,0,0,1,0,0|1,1,1]=4
20  B8R0.7  C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|0,1,1]=4
21  B8R0.7  C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|0,1,1]=4
22  B8R0.7  C(CCC(=O)O)CCN S1671 [0,2,0,0,0,0|0,1,1]=4
23  B8R0.8  CCCCC(C)C(=O)O S6079 [0,2,0,0,0,0|0,1,1]=4
24  B8R0.28  CC(C)CCCC(C)N S6477 [0,2,0,0,0,0|1,0,0]=3
25  B6R1.1  C1CNCCN1 S4574 [1,0,0,1,0,0|2,0,0]=4
26  B6R1.1  C1CNCCN1 S4574 [1,0,0,1,0,0|2,0,0]=4
27  B6R1.2  CN1CCCC1 S6216 [1,0,0,1,0,0|1,0,0]=3
28  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3
29  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3
30  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,1,0,1,0,0|1,0,0]=3
31  B8R1.1  CCC1CCC(=O)O1 S6265 [0,1,0,1,0,0|0,1,1]=4
32  B8R1.4  CC1CCCC(N1)C S4992 [0,1,0,1,0,0|1,0,0]=3