0  B6R1.1  C1CNCCN1 S4574 [0,0,0,0,0,0|1,0,0]=1
1  B6R1.1  C1CNCCN1 S4574 [0,0,0,0,0,0|1,0,0]=1
2  B7R1.3  C1CCC(=O)CC1 S6236 [0,1,0,0,0,0|2,0,0]=3
3  B5R0.2  C(CCN)CN S5344 [0,0,1,0,0,0|2,0,0]=3
4  B5R0.2  C(CCN)CN S5825 [0,0,1,0,0,0|2,0,0]=3
5  B5R0.2  C(CCN)CN S5825 [0,0,1,0,0,0|2,0,0]=3
6  B6R0.1  COC(=O)CCN S6219 [0,1,1,0,0,0|2,0,0]=4
7  B6R0.6  C#CCOCCN S1946 [0,1,1,0,0,0|0,0,1]=3
8  B6R0.6  C#CCOCCO S1780 [0,1,1,0,0,0|1,0,1]=4
9  B6R0.6  C(CCN)CCN S6357 [0,1,1,0,0,0|1,0,0]=3
10  B6R0.6  C(COCCBr)O S1686 [0,1,1,0,0,0|1,0,0]=3
11  B6R0.6  C(COCCN)N S1800 [0,1,1,0,0,0|0,0,0]=2
12  B6R0.6  CCC=CCCO S6059 [0,1,1,0,0,0|1,0,0]=3
13  B6R1.2  CN1CCCC1 S6216 [0,1,0,0,1,0|0,0,0]=2
14  B8R1.4  CC1CCCC(N1)C S4992 [0,2,0,0,0,0|1,0,0]=3
15  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,2,0,0,0,0|2,0,0]=4
16  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,2,0,0,0,0|2,0,0]=4
17  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,2,0,0,0,0|2,0,0]=4