0  B8R0.23  CC(C)O[C@@H](C)C(=O)[O-] BB0288238 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.5  O=C(Cl)[C@@H](Br)CCBr BB0269494 [1,0,0,0,0,0|3,0,0]=4
2  B7R0.6  CC(=O)CCN(C)C BB0237343 [1,0,0,0,0,0|2,0,0]=3
3  B9R0.11  CC(C)C[C@](C)(N)C(=O)O BB0268512 [0,1,0,0,0,0|0,0,0]=1
4  B9R0.23  CC(C)O[C@@H](C)C(=O)NN BB0289163 [0,1,0,0,0,0|3,0,0]=4
5  B9R0.79  CC(C)[C@H](F)[C@H](N)C(=O)O BB0268279 [0,1,0,0,0,0|0,0,0]=1
6  B9R1.35  N[C@@H]1C=C[C@H](C(=O)O)C1 BB0268334 [0,0,0,1,0,0|2,0,1]=4
7  B9R1.164  CC1(C)CC(C(=O)O)C1 BB0262981 [0,0,0,1,0,0|1,0,0]=2
8  B6R0.2  CC(C)CB(O)O BB0272390 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.2  CC(C)NC(N)=O BB0266031 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.2  CN(C)CC(N)=O BB0258818 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.4  CC(C)CCCO BB0268266 [2,0,0,0,0,0|0,0,1]=3
12  B6R0.4  CC(C)CN=C=O BB0259372 [2,0,0,0,0,0|1,0,1]=4
13  B6R0.4  C[C@H](O)CNC=O BB0258832 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.3  N[C@@H](CO)C(=O)O BB0282131 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.3  N[C@@H](CS)C(=O)O BB0282130 [2,0,0,0,0,0|1,0,0]=3
16  B8R0.12  CCC[C@](C)(N)C(=O)O BB0268514 [1,1,0,0,0,0|0,0,0]=2
17  B8R0.9  CC(C)OCC(=O)NN BB0289300 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.9  COC(=O)CCC(=O)O BB0254379 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.29  CC(C)(C)\C=C\C(=O)O BB0260174 [1,1,0,0,0,0|0,0,2]=4
20  B8R0.37  CC(O)C(C)(N)C(=O)O BB0268510 [0,1,0,0,1,0|1,0,0]=3
21  B10R0.43  CC(C)CC[C@](C)(N)C(=O)O BB0268517 [0,1,0,0,0,1|0,0,0]=2
22  B8R1.4  CC1CCCC(N)C1 BB0254488 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.53  CC1(C)CC(CO)C1 BB0262903 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.7  O=C(O)[C@H]1CCOC1 BB0269525 [1,0,0,1,0,0|2,0,0]=4
25  B8R1.77  CC(=O)[C@H]1CC1(C)C BB0262909 [1,0,0,1,0,0|1,0,0]=3
26  B8R1.77  CC1(C)C[C@@H]1C(=O)O BB0261196 [1,0,0,1,0,0|0,0,0]=2
27  B10R1.13  CN1CCC(C(=O)O)CC1 BB0220131 [0,0,0,1,0,1|2,0,0]=4
28  B10R1.113  CC1CCCC(C(=O)O)N1 BB0293368 [0,1,0,1,0,0|2,0,0]=4
29  B10R1.113  CN1CCC[C@H](C(=O)O)C1 BB0220140 [0,1,0,1,0,0|2,0,0]=4
30  B10R1.361  CC(C)N1CC[C@H]1C(=O)O BB0262935 [0,1,0,1,0,0|2,0,0]=4
31  B8R0.28  CC(C)COCC(N)=O BB0290237 [1,0,0,0,0,1|1,0,0]=3