0  B3R0.2  CS(C)=O BID1200 [0,0,0,0,0,0|0,0,0]=0
1  B3R0.2  N=C(N)N BIMB1010 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.2  N=C(N)N BIMB2002 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.2  N=C(N)N BIMB3002 [0,0,0,0,0,0|4,0,0]=4
4  B3R0.2  NC(N)=O BIU4110 [0,0,0,0,0,0|3,0,0]=3
5  B3R0.2  NC(N)=S BIT4110 [0,0,0,0,0,0|3,1,0]=4
6  B4R0.1  C[C@@H](N)CO BIA0108 [0,1,0,0,0,0|2,0,0]=3
7  B4R0.1  C[C@H](N)CO BIA0120 [0,1,0,0,0,0|2,0,0]=3
8  B4R0.1  NC(=O)NO BIH0153 [0,1,0,0,0,0|3,0,0]=4
9  B4R0.1  NCC(=O)O BIG0503 [0,1,0,0,0,0|2,0,0]=3
10  B4R0.1  NCC(=O)O BIG0709 [0,1,0,0,0,0|2,0,0]=3
11  B4R0.3  C[As](C)(=O)O BIC1001 [0,1,0,0,0,0|1,0,0]=2
12  B3R0.1  NCCS BIC2510 [1,1,0,0,0,0|1,1,0]=4
13  B5R0.1  CC(=O)OCBr BIM590 [0,2,0,0,0,0|1,0,0]=3
14  B5R0.1  CNCC(=O)O BIS0907 [0,2,0,0,0,0|2,0,0]=4
15  B5R0.3  O=C[C@@H](O)CO BIB6060 [0,2,0,0,0,0|2,0,0]=4
16  B5R0.3  OCC(O)CO BIA3092 [0,2,0,0,0,0|1,0,1]=4
17  B5R0.3  OCC(O)CS BIM0178 [0,2,0,0,0,0|1,0,1]=4
18  B5R0.5  CC(=O)C(=O)[O-] BIB6270 [0,2,0,0,0,0|1,0,1]=4
19  B5R0.5  CC(=O)C([13CH3])=O BID0431 [0,2,0,0,0,0|1,0,0]=3
20  B5R0.5  CC(=O)N(C)C BIA3145 [0,2,0,0,0,0|1,0,0]=3
21  B5R0.5  CC(N)C(=O)O BIA0868 [0,2,0,0,0,0|2,0,0]=4
22  B5R0.5  C[C@@H](N)C(=O)O BIA0863 [0,2,0,0,0,0|2,0,0]=4
23  B5R0.5  C[C@H](N)C(=O)O BIA0703 [0,2,0,0,0,0|2,0,0]=4