0  B5R0.1  C(C)(C)SC#N ACS015768 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CC(=CCBr)C ACS015684 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.1  CC(CC=O)C ACS015719 [0,0,0,0,0,0|1,1,1]=3
3  B4R0.1  C(C(C)C)#N ACS015707 [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  C(C)(C)NN ACS014063 [1,0,0,0,0,0|1,0,1]=3
5  B4R0.1  C[C@H](CO)Cl ACS011129 [1,0,0,0,0,0|1,1,1]=4
6  B4R0.1  C[C@H](CO)O ACS010855 [1,0,0,0,0,0|1,1,1]=4
7  B4R0.1  ClC[C@@H](C)O ACS011608 [1,0,0,0,0,0|2,0,1]=4
8  B4R0.1  ClC[C@H](C)O ACS011609 [1,0,0,0,0,0|2,0,1]=4
9  B4R0.1  N[C@@H](C)CO ACS010824 [1,0,0,0,0,0|1,1,1]=4
10  B4R0.2  C(=C)OCC ACS015700 [1,0,0,0,0,0|2,0,1]=4
11  B4R0.2  C(=O)OCC ACS015696 [1,0,0,0,0,0|1,1,1]=4
12  B4R0.2  C(CCC)=O ACS015647 [1,0,0,0,0,0|1,1,1]=4
13  B4R0.2  C(CCC)O ACS015648 [1,0,0,0,0,0|1,1,1]=4
14  B4R0.2  CCOCC ACF015760 [1,0,0,0,0,0|2,0,1]=4
15  B6R0.3  C(C(C)C)(=O)OC ACS015723 [0,1,0,0,0,0|3,0,0]=4
16  B6R0.3  CC(C)[C@H](CO)N ACS010843 [0,1,0,0,0,0|1,1,1]=4
17  B6R0.4  C(C)(C)NCCN ACS011159 [0,1,0,0,0,0|1,0,2]=4
18  B6R0.5  C(C)(C)(C)N=C=O ACS012388 [0,1,0,0,0,0|0,1,0]=2
19  B6R0.5  CC(C)(C)CC=O ACS010443 [0,1,0,0,0,0|1,1,1]=4
20  B6R1.2  CC1CCCO1 ACS011384 [0,0,0,1,0,0|2,0,1]=4
21  B6R1.3  C1(CC1)CC#N ACS016977 [0,0,0,1,0,0|2,0,1]=4
22  B6R1.3  C1(CC1)CCO ACS016870 [0,0,0,1,0,0|1,1,1]=4
23  B6R1.3  ICCC1CC1 ACS016871 [0,0,0,1,0,0|2,0,1]=4
24  B3R0.1  C(CC)#N ACS015759 [2,0,0,0,0,0|1,0,1]=4
25  B3R0.2  BrC(C)C ACS015643 [2,0,0,0,0,0|1,0,0]=3
26  B3R0.2  C(C)(=S)O ACS017184 [2,0,0,0,0,0|1,0,1]=4
27  B3R0.2  CP(C)=O ACS012210 [2,0,0,0,0,0|1,1,0]=4
28  B5R0.4  CC(C#N)(C)C ACS015757 [1,1,0,0,0,0|1,0,1]=4
29  B5R0.4  CC(C=O)(C)C ACS010245 [1,1,0,0,0,0|0,1,1]=4
30  B5R0.4  CC(CN)(C)N ACS020018 [1,1,0,0,0,0|1,0,1]=4
31  B5R0.4  NCC(C)(S)C ACS017169 [1,1,0,0,0,0|1,0,1]=4
32  B5R0.5  C(C(C)C)(=O)Cl ACS013410 [1,1,0,0,0,0|0,1,1]=4
33  B5R1.3  BrCC1CC1 ACS016880 [1,0,0,1,0,0|1,0,1]=4
34  B5R1.3  C(#N)C1CC1 ACS015609 [1,0,0,1,0,0|1,0,1]=4
35  B5R1.3  C1(CC1)CO ACS011265 [1,0,0,1,0,0|0,1,1]=4
36  B5R1.5  CC1(OC1)C ACS015341 [1,0,0,1,0,0|0,1,1]=4