0  B2R0.1  CC#N ACT03992 [0,0,0,0,0,0|3,0,0]=3
1  B2R0.1  CCI ACT05467 [0,0,0,0,0,0|3,0,0]=3
2  B2R0.1  CSC ACT08194 [0,0,0,0,0,0|3,0,0]=3
3  B1R0.1  CI ACT10179 [1,0,0,0,0,0|2,0,0]=3
4  B1R0.1  [C-]#N ACT09415 [1,0,0,0,0,0|1,0,1]=3
5  B3R0.1  C#CCBr ACT00929 [0,1,0,0,0,0|3,0,0]=4
6  B3R0.1  C#CCN ACT03245 [0,1,0,0,0,0|3,0,0]=4
7  B3R0.1  C(CCl)O ACT07200 [0,1,0,0,0,0|2,0,0]=3
8  B3R0.1  C(CF)O ACT09629 [0,1,0,0,0,0|2,0,0]=3
9  B3R0.1  C=CCS ACT06237 [0,1,0,0,0,0|2,1,0]=4
10  B3R0.1  CCCS ACT06229 [0,1,0,0,0,0|2,1,0]=4
11  B3R0.1  CCSC ACT06182 [0,1,0,0,0,0|2,1,0]=4
12  B3R0.1  CSSC ACT06113 [0,1,0,0,0,0|2,1,0]=4
13  B3R0.2  CC(=O)Br ACT03135 [0,1,0,0,0,0|2,0,0]=3
14  B3R0.2  CC(=O)[S-] ACT05622 [0,1,0,0,0,0|1,1,0]=3
15  B3R0.2  CC(C)S ACT06230 [0,1,0,0,0,0|2,1,0]=4
16  B3R0.2  CC(C)[CH2-] ACT07636 [0,1,0,0,0,0|3,0,0]=4
17  B3R0.2  CP(C)C ACT08935 [0,1,0,0,0,0|2,1,0]=4
18  B3R0.2  P(Br)(Br)Br ACT03432 [0,1,0,0,0,0|2,1,0]=4
19  B0R0.1  N ACT05835 [2,0,0,0,0,0|0,0,0]=2
20  B0R0.1  N ACT11628 [2,0,0,0,0,0|0,0,0]=2
21  B0R0.1  [BH4-] ACT09094 [2,0,0,0,0,0|0,0,0]=2
22  B0R0.1  [Cl-] ACT11638 [2,0,0,0,0,0|0,0,0]=2
23  B0R0.1  [Cl-] ACT11639 [2,0,0,0,0,0|0,0,0]=2
24  B4R0.1  C(=O)(N)NO ACT02611 [0,2,0,0,0,0|0,0,1]=3
25  B4R0.1  C(=O)C(=O)O ACT06826 [0,2,0,0,0,0|1,0,0]=3
26  B4R0.1  C(C(=O)Br)Br ACT03212 [0,2,0,0,0,0|2,0,0]=4
27  B4R0.1  C(C(=O)O)Br ACT01771 [0,2,0,0,0,0|1,0,0]=3
28  B4R0.1  CC(=N)OC ACT09196 [0,2,0,0,0,0|2,0,0]=4
29  B4R0.1  CC(=O)C#C ACT08607 [0,2,0,0,0,0|2,0,0]=4
30  B4R0.1  CC(=O)CCl ACT09266 [0,2,0,0,0,0|2,0,0]=4
31  B4R0.1  CC(=O)SC ACT06385 [0,2,0,0,0,0|1,1,0]=4
32  B4R0.1  CC(C#C)O ACT09213 [0,2,0,0,0,0|2,0,0]=4
33  B4R0.2  C#CCCO ACT08938 [0,2,0,0,0,0|2,0,0]=4
34  B4R0.2  CC#CCO ACT02835 [0,2,0,0,0,0|2,0,0]=4
35  B4R0.2  CCOC#C ACT10610 [0,2,0,0,0,0|2,0,0]=4
36  B4R0.2  CSCCO ACT06338 [0,2,0,0,0,0|1,1,0]=4
37  B4R0.3  C[S+](=O)(C)C ACT04864 [0,2,0,0,0,0|2,0,0]=4
38  B4R0.3  C[S+](=O)(C)C ACT09781 [0,2,0,0,0,0|2,0,0]=4