0  B5R0.1  NOCC(C)C      AK-83418 [1,0,0,0,0,0|3,0,0]=4
1  B5R0.2  NOCCCC      AK-85835 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.3  CC(CCl)CBr      AK112650 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.3  CCC(N)CO      AK-57405 [1,0,0,0,0,0|1,1,1]=4
4  B5R0.3  CC[C@@H](O)CO      AK110229 [1,0,0,0,0,0|1,1,1]=4
5  B5R0.3  CC[C@H](N)CO      AK-86460 [1,0,0,0,0,0|1,1,1]=4
6  B5R0.3  CC[C@H](O)CO      AK110230 [1,0,0,0,0,0|1,1,1]=4
7  B5R0.3  C[C@@H](OC)CN      AK153940 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.7  C\C(OCC)=N/C#N      AK162386 [0,1,0,0,0,0|1,0,2]=4
9  B7R0.10  N[C@@H]([C@@H](C)CC)CO      AK-47506 [0,1,0,0,0,0|1,1,1]=4
10  B7R1.1  CC[C@H]1NCCC1      AK131266 [0,0,0,1,0,0|1,0,2]=4
11  B7R1.2  O=C1OC(C)CC1      AK117314 [0,0,0,1,0,0|1,1,1]=4
12  B7R1.3  C[C@@H]1CNCCC1      AK141528 [0,0,0,1,0,0|3,0,0]=4
13  B7R1.3  C[C@H]1CNCCC1      AK-93998 [0,0,0,1,0,0|3,0,0]=4
14  B4R0.1  CC(C)ON      AK-81639 [2,0,0,0,0,0|2,0,0]=4
15  B4R0.1  CC(NN)C      AK-46728 [2,0,0,0,0,0|1,0,1]=4
16  B4R0.1  CCC(N)=N      AK-48186 [2,0,0,0,0,0|1,0,1]=4
17  B4R0.1  C[C@@H](N)CO      AK-46726 [2,0,0,0,0,0|1,0,1]=4
18  B4R0.1  C[C@@H](O)CCl      AK-73033 [2,0,0,0,0,0|1,1,0]=4
19  B4R0.1  C[C@@H](O)CN      AK-76466 [2,0,0,0,0,0|1,1,0]=4
20  B4R0.1  C[C@@H](O)CO      AK158454 [2,0,0,0,0,0|1,1,0]=4
21  B4R0.1  C[C@H](N)CN      AK-51561 [2,0,0,0,0,0|1,0,1]=4
22  B4R0.1  C[C@H](O)CN      AK-72977 [2,0,0,0,0,0|1,1,0]=4
23  B4R0.1  C[C@H](O)CO      AK111153 [2,0,0,0,0,0|1,1,0]=4
24  B4R0.1  NC(C)CO      AK-46466 [2,0,0,0,0,0|1,0,1]=4
25  B4R0.1  ONC(C)C      AK117015 [2,0,0,0,0,0|0,1,1]=4
26  B4R0.2  NNCCC      AK-76893 [2,0,0,0,0,0|1,0,1]=4
27  B6R0.8  C#CC(N)(C)CC      AK-78920 [1,1,0,0,0,0|1,0,1]=4
28  B6R0.8  CCC(C)(N)C#N      AK119556 [1,1,0,0,0,0|1,0,1]=4
29  B6R1.7  NCC1(C)CC1      AK159118 [1,0,0,1,0,0|1,0,1]=4