0  B5R0.3  CNC(=O)NN 657 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.3  CC(CO)C(=O)[O-] 4034 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.3  CC[C@H](O)C(=O)O 3680 [0,1,0,0,0,0|1,0,2]=4
3  B6R0.8  CSC(C)(C)C=O 1908 [0,1,0,0,0,0|1,0,1]=3
4  B6R1.2  CC1=COC=N1 3117 [0,0,0,1,0,0|1,0,2]=4
5  B6R1.2  IC1=CNN=C1 784 [0,0,0,1,0,0|3,0,0]=4
6  B5R0.1  O=C(O)\C=N\O 1812 [1,1,0,0,0,0|2,0,0]=4
7  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,2,0,0,0,0|0,0,2]=4
8  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,2,0,0,0,0|0,0,2]=4
9  B7R0.3  CCC(=O)\C=C\C=O 4517 [0,2,0,0,0,0|1,0,1]=4