0  B12R1.652  CC1=NC=C(CO)C(CN)=C1O SBB003336 [0,0,0,0,0,0|1,0,0]=1
1  B12R1.652  OCC1=C(C=O)C(O)=C(C)N=C1 SBB005829 [0,0,0,0,0,0|0,0,2]=2
2  B12R1.652  [NH+]1=CC(CO)=C(CO)C(O)=C1C SBB057400 [0,0,0,0,0,0|0,0,1]=1
3  B11R1.72  CC1=C(Cl)C(CO)=C(F)C=C1 SBB088976 [1,0,0,0,0,0|3,0,0]=4
4  B11R1.72  CC1=C(F)C(CO)=C(Cl)C=C1 SBB088974 [1,0,0,0,0,0|3,0,0]=4
5  B11R1.72  CC1=C(F)C(CO)=C(F)C=C1 SBB087280 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.20  OCC1=CC=CC=C1CO SBB064016 [2,0,0,0,0,0|1,0,0]=3
7  B10R1.25  CC1=C(CO)C=CC(F)=C1 SBB086160 [2,0,0,0,0,0|2,0,0]=4
8  B10R1.25  CC1=CC(C)=C(CCl)C=C1 SBB005790 [2,0,0,0,0,0|2,0,0]=4
9  B10R1.25  CC1=CC(F)=C(CO)C=C1 SBB086161 [2,0,0,0,0,0|2,0,0]=4
10  B10R1.25  CCC1=C(C)C=C(C)C=C1 SBB061315 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.30  CC1=C(CO)C=C(F)C=C1 SBB086159 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.30  CC1=CC(CCl)=C(C)C=C1 SBB040679 [2,0,0,0,0,0|2,0,0]=4
13  B10R1.30  OCC1=C(O)C=CC(C)=N1 SBB004177 [2,0,0,0,0,0|2,0,0]=4
14  B10R1.30  OCC1=CC(Br)=CC=C1O SBB054777 [2,0,0,0,0,0|2,0,0]=4
15  B10R1.2  CC1=C(F)C=CC=C1CO SBB064442 [2,0,0,0,0,0|2,0,0]=4
16  B10R1.2  CC1=C(N)C=CC=C1CO SBB064073 [2,0,0,0,0,0|2,0,0]=4
17  B10R1.2  CCC1=C(O)C(C)=CC=C1 SBB071423 [2,0,0,0,0,0|2,0,0]=4
18  B10R1.119  CC1=CC=C(N)C(O)=C1C SBB010269 [2,0,0,0,0,0|2,0,0]=4
19  B10R1.245  CC1=CC=CC(C)=C1CO SBB079383 [2,0,0,0,0,0|2,0,0]=4
20  B10R1.176  CC1=C(N)C=C(CO)C=C1 SBB054776 [2,0,0,0,0,0|2,0,0]=4
21  B10R1.176  CC1=CC=C(CO)C=C1C SBB063329 [2,0,0,0,0,0|2,0,0]=4
22  B10R1.176  CC1=CC=C(CO)C=C1Cl SBB008274 [2,0,0,0,0,0|2,0,0]=4
23  B10R1.176  CC1=CC=C(CO)C=C1F SBB086169 [2,0,0,0,0,0|2,0,0]=4
24  B10R1.176  OCC1=CC(Cl)=C(Cl)N=C1 SBB054797 [2,0,0,0,0,0|2,0,0]=4
25  B12R1.448  CC1=CC(CO)=C(CO)C=C1C SBB116867 [1,1,0,0,0,0|1,0,0]=3
26  B10R1.32  CCN1N=C(C)C=C1CO SBB025140 [1,0,0,0,1,0|2,0,0]=4
27  B10R1.32  CN1C=C(CO)C(CO)=N1 SBB073757 [1,0,0,0,1,0|1,0,0]=3
28  B10R1.257  CN1N=CC(CO)=C1CO SBB073758 [1,0,0,0,1,0|1,0,0]=3
29  B10R1.256  CC1=NN(C)C(C)=C1CO SBB023033 [1,0,0,0,1,0|2,0,0]=4
30  B10R1.34  CC1=NN(CO)C(C)=C1Br SBB021197 [1,0,0,0,1,0|2,0,0]=4
31  B10R1.34  CC1=NN(CO)C(C)=C1Cl SBB022637 [1,0,0,0,1,0|2,0,0]=4