0  B4R0.1  NC(=O)NO BIH0153 [0,0,0,0,0,0|2,1,1]=4
1  B4R0.1  NCC(=O)O BIG0503 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  NCC(=O)O BIG0709 [0,0,0,0,0,0|3,0,1]=4
3  B3R0.2  CS(C)=O BID1200 [1,0,0,0,0,0|3,0,0]=4
4  B3R0.2  NC(N)=O BIU4110 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.5  CC(=O)C(=O)[O-] BIB6270 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.5  CC(=O)C([13CH3])=O BID0431 [0,1,0,0,0,0|3,0,0]=4