0  B3R0.2  B(O)(O)O 3177 [0,0,0,0,0,0|3,1,0]=4
1  B3R0.2  C(=N)(N)N 5221 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.2  C(=O)(N)N 5228 [0,0,0,0,0,0|2,1,1]=4
3  B3R0.2  C(=O)(O)[O-] 3152 [0,0,0,0,0,0|2,1,1]=4
4  B3R0.2  C(=O)([O-])[O-] 4740 [0,0,0,0,0,0|2,1,1]=4
5  B3R0.2  CC(=O)[O-] 3159 [0,0,0,0,0,0|1,1,1]=3
6  B3R0.2  CS(=O)C 3176 [0,0,0,0,0,0|1,1,0]=2
7  B3R0.2  Cl[Gd](Cl)Cl 4741 [0,0,0,0,0,0|4,0,0]=4
8  B2R0.1  Cl[Ca]Cl 3148 [1,0,0,0,0,0|3,0,0]=4
9  B2R0.1  Cl[Sr]Cl 4749 [1,0,0,0,0,0|3,0,0]=4
10  B4R0.1  C(C(=O)O)N 0219 [0,1,0,0,0,0|1,1,1]=4
11  B4R0.1  CSC(=[NH2+])N 0776 [0,1,0,0,0,0|2,0,1]=4
12  B1R0.1  Cl[Cs] 4739 [2,0,0,0,0,0|2,0,0]=4
13  B1R0.1  Cl[K] 3147 [2,0,0,0,0,0|2,0,0]=4
14  B1R0.1  [Na]Cl 3146 [2,0,0,0,0,0|2,0,0]=4
15  B3R0.1  C(C[O-])[O-] 2446 [1,1,0,0,0,0|0,1,0]=3
16  B5R0.3  C(C(CO)O)O 5220 [0,2,0,0,0,0|0,1,0]=3
17  B5R0.5  C[C@@H](C(=O)O)N 0205 [0,2,0,0,0,0|1,0,1]=4