0  B2R0.1  C(Cl)Cl SOL-002 [1,0,0,0,0,0|0,0,0]=1
1  B2R0.1  CC#N SOL-013 [1,0,0,0,0,0|2,0,1]=4
2  B2R0.1  CSC RL-1098 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  C[C@@H](CN)O FAL1033 [0,1,0,0,0,0|3,0,0]=4
4  B4R0.1  C[C@H](CO)N FAL1004 [0,1,0,0,0,0|3,0,0]=4
5  B1R0.1  CO SOL-008 [2,0,0,0,0,0|1,0,0]=3
6  B3R0.1  C#CCN PEG2755 [1,1,0,0,0,0|2,0,0]=4
7  B3R0.1  C(CO)N HAL1020 [1,1,0,0,0,0|2,0,0]=4
8  B3R0.1  C(CS)N HAL1551 [1,1,0,0,0,0|2,0,0]=4
9  B3R0.1  C(CS)S RL-1097 [1,1,0,0,0,0|2,0,0]=4