0  B3R0.1  C#CCCl 10536 [0,0,0,0,0,0|2,0,2]=4
1  B3R0.1  C#CCN 9972 [0,0,0,0,0,0|2,0,2]=4
2  B3R0.1  C(C#N)Br 6017 [0,0,0,0,0,0|3,0,1]=4
3  B3R0.1  C(CI)F 10671 [0,0,0,0,0,0|3,0,1]=4
4  B3R0.1  C(CO)O 5930 [0,0,0,0,0,0|2,1,1]=4
5  B3R0.1  CNOC 5044 [0,0,0,0,0,0|2,0,1]=3
6  B2R0.1  C(I)I 9405 [1,0,0,0,0,0|2,0,1]=4
7  B2R0.1  CCI 10444 [1,0,0,0,0,0|1,0,1]=3
8  B2R0.1  CON 6780 [1,0,0,0,0,0|2,0,0]=3
9  B4R0.1  B(CC)(O)O 5199 [0,1,0,0,0,0|2,1,0]=4
10  B4R0.1  C(=NN)(N)N 8253 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.1  CC(CO)N 6831 [0,1,0,0,0,0|1,1,1]=4
12  B4R0.1  CCC(=O)N 8889 [0,1,0,0,0,0|1,1,1]=4
13  B4R0.1  CCS(=O)[O-] 8969 [0,1,0,0,0,0|2,1,0]=4
14  B4R0.1  C[C@H](CO)N 5724 [0,1,0,0,0,0|1,1,1]=4
15  B4R0.2  C#CCCO 9231 [0,1,0,0,0,0|2,0,1]=4
16  B4R0.2  C(CN)CBr 9620 [0,1,0,0,0,0|2,0,1]=4
17  B4R0.2  C(CO)CBr 8105 [0,1,0,0,0,0|1,1,1]=4
18  B4R0.2  C(CO)CI 8013 [0,1,0,0,0,0|1,1,1]=4
19  B4R0.2  C=CCCBr 5697 [0,1,0,0,0,0|2,0,1]=4
20  B4R0.2  COCCBr 5599 [0,1,0,0,0,0|2,0,1]=4
21  B4R1.1  C1CNC1 9575 [0,0,0,1,0,0|1,0,2]=4
22  B4R1.2  C1CC1N 6164 [0,0,0,1,0,0|2,0,1]=4
23  B1R0.1  F[Ag] 6131 [2,0,0,0,0,0|2,0,0]=4
24  B3R0.2  C(=N)(N)N G0028 [1,1,0,0,0,0|1,0,1]=4
25  B3R0.2  C(=N)(N)N G0029 [1,1,0,0,0,0|1,0,1]=4
26  B3R0.2  CC(Cl)Cl 6701 [1,1,0,0,0,0|1,0,1]=4
27  B3R0.2  CS(=O)O 5013 [1,1,0,0,0,0|1,1,0]=4
28  B5R0.2  C(CCl)N=C=O 8994 [0,2,0,0,0,0|0,1,0]=3
29  B5R0.2  C=CC[NH+]=C=S 8186 [0,2,0,0,0,0|0,0,1]=3