0  B4R0.1  C[C@@H](N)CO BIA0108 [0,0,0,0,0,0|1,0,3]=4
1  B4R0.1  C[C@H](N)CO BIA0120 [0,0,0,0,0,0|1,0,3]=4
2  B4R0.1  NC(=O)NO BIH0153 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  NCC(=O)O BIG0503 [0,0,0,0,0,0|2,0,1]=3
4  B4R0.1  NCC(=O)O BIG0709 [0,0,0,0,0,0|2,0,1]=3
5  B3R0.2  CS(C)=O BID1200 [1,0,0,0,0,0|1,0,1]=3
6  B3R0.2  N=C(N)N BIMB1010 [1,0,0,0,0,0|3,0,0]=4
7  B3R0.2  N=C(N)N BIMB2002 [1,0,0,0,0,0|3,0,0]=4
8  B3R0.2  N=C(N)N BIMB3002 [1,0,0,0,0,0|3,0,0]=4
9  B3R0.2  NC(N)=O BIU4110 [1,0,0,0,0,0|2,0,0]=3
10  B3R0.2  NC(N)=S BIT4110 [1,0,0,0,0,0|2,1,0]=4
11  B5R0.1  CC(=O)OCBr BIM590 [0,1,0,0,0,0|1,0,1]=3
12  B5R0.1  CNCC(=O)O BIS0907 [0,1,0,0,0,0|2,0,1]=4
13  B5R0.3  O=C[C@@H](O)CO BIB6060 [0,1,0,0,0,0|0,0,2]=3
14  B5R0.5  CC(=O)C(=O)[O-] BIB6270 [0,1,0,0,0,0|0,0,0]=1
15  B5R0.5  CC(=O)C([13CH3])=O BID0431 [0,1,0,0,0,0|0,0,0]=1
16  B5R0.5  CC(=O)N(C)C BIA3145 [0,1,0,0,0,0|2,0,0]=3
17  B5R0.5  CC(N)C(=O)O BIA0868 [0,1,0,0,0,0|1,0,1]=3
18  B5R0.5  C[C@@H](N)C(=O)O BIA0863 [0,1,0,0,0,0|1,0,1]=3
19  B5R0.5  C[C@H](N)C(=O)O BIA0703 [0,1,0,0,0,0|1,0,1]=3
20  B4R0.3  C[As](C)(=O)O BIC1001 [1,1,0,0,0,0|1,0,1]=4
21  B6R0.3  CCC(=O)C(=O)[O-] BIK8008 [0,2,0,0,0,0|0,0,0]=2
22  B6R0.3  CCN(C)C(=O)Cl BIB6299 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.3  COC(=O)[C@@H](C)N BIA0107 [0,2,0,0,0,0|1,0,1]=4
24  B6R0.3  COC(=O)[C@H](C)N BIA0121 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.3  N[C@@H](CO)C(=O)O BIS0718 [0,2,0,0,0,0|1,0,1]=4
26  B6R0.3  N[C@@H](CS)C(=O)O BIC0706 [0,2,0,0,0,0|1,0,1]=4
27  B6R0.3  N[C@@H](CS)C(=O)O BIC0707 [0,2,0,0,0,0|1,0,1]=4
28  B6R0.3  N[C@@H](CS)C(=O)O BIC0709 [0,2,0,0,0,0|1,0,1]=4
29  B6R0.3  [C@@H](N)(CO)C(=O)O BIS2001 [0,2,0,0,0,0|1,0,1]=4