0  B3R0.1  C(=O)NN AB00881 [0,0,0,0,0,0|4,0,0]=4
1  B3R0.1  C(CCl)N AB03778 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.1  C\C=C/I AB73504 [0,0,0,0,0,0|3,0,0]=3
3  B3R0.1  C\C=C\Br AB00109 [0,0,0,0,0,0|3,0,0]=3
4  B2R0.1  C(=S)N AB42997 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  B(CC)(O)O AB08033 [0,1,0,0,0,0|3,0,0]=4
6  B4R0.1  CC(=N)NN AB09895 [0,1,0,0,0,0|3,0,0]=4
7  B4R0.1  CC(=O)C=O AB00820 [0,1,0,0,0,0|3,0,0]=4
8  B4R0.1  CC(=O)NN AB00888 [0,1,0,0,0,0|3,0,0]=4
9  B4R0.1  CC(=O)NO AB01014 [0,1,0,0,0,0|3,0,0]=4
10  B4R0.1  CCC(=N)N AB07703 [0,1,0,0,0,0|3,0,0]=4
11  B4R0.1  C\C(=N\O)\N AB06530 [0,1,0,0,0,0|3,0,0]=4
12  B4R0.1  C\C=C(/C)\Br AB00105 [0,1,0,0,0,0|2,0,0]=3
13  B4R0.2  C#CCCN AB55798 [0,1,0,0,0,0|2,0,1]=4
14  B4R0.2  C(CN)CCl AB06220 [0,1,0,0,0,0|3,0,0]=4
15  B4R0.2  C=CCCBr AB00123 [0,1,0,0,0,0|2,0,1]=4
16  B4R0.2  C=CCCN AB14698 [0,1,0,0,0,0|2,0,1]=4
17  B4R0.2  C=CCCO AB00288 [0,1,0,0,0,0|2,0,1]=4
18  B4R1.1  C1CNC1 PB33850 [0,0,0,1,0,0|2,0,0]=3
19  B3R0.2  C[S+](C)C AB01061 [1,1,0,0,0,0|0,0,1]=3
20  B5R0.1  CC#CN(C)C AB76935 [0,2,0,0,0,0|2,0,0]=4
21  B5R0.3  COC(=O)CN AB01112 [0,2,0,0,0,0|1,1,0]=4
22  B5R0.3  CSC(=N)NN AB01522 [0,2,0,0,0,0|2,0,0]=4
23  B5R0.3  CS\C(=N/N)\N AB06574 [0,2,0,0,0,0|2,0,0]=4
24  B5R0.3  C[C@@H](CO)NC AB31545 [0,2,0,0,0,0|2,0,0]=4
25  B5R0.4  CSS(=O)(=O)C CB10056 [0,2,0,0,0,0|0,0,1]=3
26  B5R0.2  COCCON MB08235 [0,2,0,0,0,0|1,1,0]=4
27  B5R1.2  C1C(=O)CS1 PB29880 [0,1,0,1,0,0|1,0,1]=4
28  B5R1.2  C1C(CN1)N PB22346 [0,1,0,1,0,0|2,0,0]=4
29  B5R1.2  C1C(CN1)O PB18565 [0,1,0,1,0,0|2,0,0]=4
30  B5R1.2  C1C(CN1)S PB18372 [0,1,0,1,0,0|2,0,0]=4
31  B5R1.2  C1C(CO1)Br PB32639 [0,1,0,1,0,0|1,1,0]=4
32  B5R1.2  C1C(CO1)Cl PB33445 [0,1,0,1,0,0|1,1,0]=4
33  B5R1.2  C1C(CO1)F AB71732 [0,1,0,1,0,0|1,1,0]=4
34  B5R1.2  C1C(CO1)I PB20276 [0,1,0,1,0,0|1,1,0]=4
35  B5R1.2  C1C(CO1)N MB07029 [0,1,0,1,0,0|1,1,0]=4
36  B5R1.2  C1C(CO1)N PB31297 [0,1,0,1,0,0|1,1,0]=4
37  B5R1.2  C1C(CO1)O PB25111 [0,1,0,1,0,0|1,1,0]=4
38  B5R1.2  C1C(CO1)S PB31940 [0,1,0,1,0,0|1,1,0]=4
39  B5R1.2  C1C(CS1)N PB11400 [0,1,0,1,0,0|1,0,0]=3
40  B5R1.2  CC1CNC1 PB16157 [0,1,0,1,0,0|2,0,0]=4
41  B5R1.3  CNC1CC1 PB16260 [0,1,0,1,0,0|2,0,0]=4