0  B7R0.6  CC(=O)CCN(C)C BB0237343 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.4  CC(C)CCCO BB0268266 [1,0,0,0,0,0|0,0,3]=4
2  B8R0.9  CC(C)OCC(=O)NN BB0289300 [0,1,0,0,0,0|2,0,1]=4
3  B8R0.9  COC(=O)CCC(=O)O BB0254379 [0,1,0,0,0,0|1,0,1]=3
4  B8R0.23  CC(C)O[C@@H](C)C(=O)[O-] BB0288238 [0,1,0,0,0,0|1,0,2]=4
5  B8R0.29  CC(C)(C)\C=C\C(=O)O BB0260174 [0,1,0,0,0,0|0,0,2]=3
6  B8R1.3  O=C1CCC(=O)CC1 BB0269456 [0,0,0,1,0,0|2,0,1]=4
7  B8R1.3  O=C1CNC(=O)CN1 BB0266625 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.23  O=C1CC(C(=O)O)C1 BB0270244 [0,0,0,1,0,0|1,0,1]=3
9  B8R1.77  CC(=O)[C@H]1CC1(C)C BB0262909 [0,0,0,1,0,0|1,0,2]=4
10  B8R1.77  CC1(C)C[C@@H]1C(=O)O BB0261196 [0,0,0,1,0,0|0,0,2]=3
11  B6R0.2  CC(C)CB(O)O BB0272390 [0,0,0,0,1,0|1,0,2]=4
12  B6R0.2  CC(C)NC(N)=O BB0266031 [0,0,0,0,1,0|2,0,1]=4
13  B6R0.2  CN(C)CC(N)=O BB0258818 [0,0,0,0,1,0|2,0,0]=3
14  B8R0.28  CC(C)COCC(N)=O BB0290237 [0,0,0,0,0,1|1,0,2]=4
15  B5R0.1  C\C=C\C(N)=O BB0256989 [2,0,0,0,0,0|1,0,0]=3
16  B7R0.9  CC(C)(C)CC(N)=O BB0292979 [0,1,0,0,1,0|1,0,1]=4
17  B9R0.1  COC(=O)CCCC(C)C BB0268262 [0,1,0,0,0,1|0,0,2]=4
18  B9R0.11  CC(C)C[C@](C)(N)C(=O)O BB0268512 [0,2,0,0,0,0|0,0,2]=4
19  B9R0.79  CC(C)[C@H](F)[C@H](N)C(=O)O BB0268279 [0,2,0,0,0,0|0,0,2]=4
20  B7R1.2  C=C1C=CC(=O)O1 BB0268541 [1,0,0,1,0,0|0,0,2]=4
21  B7R1.18  O=C(O)C1=CCC1 BB0262190 [1,0,0,1,0,0|0,0,2]=4
22  B7R1.18  O=C(O)C1CCC1 BB0269490 [1,0,0,1,0,0|0,0,2]=4
23  B9R1.35  CC1=CC(C(=O)O)=CS1 BB0253278 [0,0,0,1,0,1|0,0,2]=4
24  B9R1.35  CC1=CC=C(C(=O)O)O1 BB0219916 [0,0,0,1,0,1|1,0,1]=4
25  B9R1.35  CC1=NC(C(=O)O)=CS1 BB0258306 [0,0,0,1,0,1|1,0,1]=4
26  B9R1.35  N[C@@H]1C=C[C@H](C(=O)O)C1 BB0268334 [0,0,0,1,0,1|1,0,1]=4
27  B9R1.35  O=C1C[C@H](C(=O)O)CN1 BB0216427 [0,0,0,1,0,1|1,0,1]=4
28  B9R1.164  CC1(C)CC(C(=O)O)C1 BB0262981 [0,1,0,1,0,0|0,0,2]=4