0  B13R2.12159  O=C1C2=C(C=CC=C2)S(N1)(=O)=O BCP19838 [0,0,0,0,0,0|0,0,0]=0
1  B13R2.12159  O=C1C2=CC=CC=C2S(S1)(=O)=O BCP19335 [0,0,0,0,0,0|1,0,0]=1
2  B13R2.12159  O=S1(C=2C=CC=CC2C([O-])=N1)=O BCP08546 [0,0,0,0,0,0|0,0,2]=2
3  B12R1.107  O=[N+](CC(C1=CC=CC=C1)=O)[O-] BCP06401 [0,0,1,0,0,0|2,0,1]=4
4  B12R1.261  O=C(O)C1=CC=CC=C1C(O)=O BCP15370 [0,0,1,0,0,0|2,0,1]=4
5  B12R1.261  OC(C1=C(I(=O)=O)C=CC=C1)=O BCP12484 [0,0,1,0,0,0|2,0,0]=3
6  B11R1.87  Cc1ccccc1S(=O)(=O)O BCP14066 [1,0,1,0,0,0|1,0,1]=4
7  B11R2.1  O=C1C2=C(CC1)C=CC=C2 BCP19847 [2,0,0,0,0,0|2,0,0]=4
8  B11R2.1  O=C1COc2c1cccc2 BCP07835 [2,0,0,0,0,0|1,1,0]=4
9  B11R2.1  O=C1N2C=CC=CC2=NN1 BCP03573 [2,0,0,0,0,0|2,0,0]=4
10  B13R2.4857  O=C1C2=C(C(F)=CC=C2)C(O1)=O BCP05901 [1,1,0,0,0,0|2,0,0]=4
11  B13R2.4857  O=C1NC(C2=C1C(N)=CC=C2)=O BCP17751 [1,1,0,0,0,0|1,0,0]=3
12  B13R2.4857  OC1=C2C(=O)OC(=O)C2=CC=C1 BCP15658 [1,1,0,0,0,0|2,0,0]=4
13  B13R2.5187  O=C1NC(C2=C1C=C(N)C=C2)=O BCP18648 [1,1,0,0,0,0|1,0,0]=3
14  B13R2.5187  O=C1OC(C2=C1C=CC(F)=C2)=O BCP05918 [1,1,0,0,0,0|2,0,0]=4
15  B15R2.13973  O=S1(C2=C(C=CC(Cl)=C2)NC(C)N1)=O BCP19065 [0,1,0,0,0,1|1,0,1]=4
16  B15R2.13973  O=S1(C2=CC(Cl)=CC=C2N=C(C)N1)=O BCP26107 [0,1,0,0,0,1|1,0,0]=3