0  B8R0.4  C=CCCCCCCBr 10114 [0,0,0,0,0,0|1,0,2]=3
1  B7R0.1  C(CCCBr)CCCl 5780 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.1  C(CCCCl)CCO 5053 [1,0,0,0,0,0|1,0,0]=2
3  B7R0.1  C(CCCO)CCN 8387 [1,0,0,0,0,0|1,0,0]=2
4  B7R0.1  C(CN)CNCCN 8496 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.1  CCCCCCCBr 5952 [1,0,0,0,0,0|1,0,0]=2
6  B9R0.45  C(COCCOCCO)O 5748 [0,1,0,0,0,0|2,0,0]=3
7  B9R0.45  CCCCCCCCNC 9589 [0,1,0,0,0,0|1,0,0]=2
8  B9R1.8  C1CCC(CC1)N=C=S 5699 [0,0,0,1,0,0|1,1,1]=4
9  B9R1.8  C1CN(CCN1)CCN 6812 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.8  C1COCCN1CCCl 9211 [0,0,0,1,0,0|3,0,0]=4
11  B9R1.8  C1COCCN1CCO 5713 [0,0,0,1,0,0|2,0,0]=3
12  B9R1.12  C1CCN(C1)CCC#N 5386 [0,0,0,1,0,0|2,0,1]=4
13  B9R1.12  C1CCN(C1)CCCN 5071 [0,0,0,1,0,0|2,0,0]=3
14  B6R0.6  C(CCO)CCBr 9446 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.6  C(CO)NCCO 10566 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.6  C(COCCCl)O 5879 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.6  CCCNCCC 9551 [2,0,0,0,0,0|1,0,0]=3
18  B6R0.6  COCCCCBr 8517 [2,0,0,0,0,0|2,0,0]=4
19  B10R0.74  CCCCCCCC(=O)NO 8621 [0,2,0,0,0,0|0,0,1]=3
20  B10R0.71  C(CCCCCl)CCCCCl 10253 [0,2,0,0,0,0|1,0,0]=3
21  B8R1.2  C1CCNC(C1)CO 6795 [1,0,0,1,0,0|1,0,0]=3
22  B8R1.2  C1CCOC(C1)ON 10111 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.2  C1CNCCC1CO 10405 [1,0,0,1,0,0|1,0,0]=3
24  B8R1.2  C1COCCC1CN 6624 [1,0,0,1,0,0|2,0,0]=4
25  B8R1.5  C1CC[C@H]([C@@H](C1)N)N 8637 [1,0,0,1,0,0|2,0,0]=4
26  B10R1.85  C1CCCN(CC1)CCCl 10460 [0,1,0,1,0,0|1,0,0]=3
27  B10R1.17  C1COCCN1CCCCl 8453 [0,1,0,1,0,0|2,0,0]=4