0  B12R2.2028  O=C1O[C@@H](Br)C2=C1C=CC=C2 S10466 [1,0,0,0,0,0|3,0,0]=4
1  B12R2.2028  O=C1O[C@@H](Cl)C2=C1C=CC=C2 D86720 [1,0,0,0,0,0|3,0,0]=4
2  B14R2.57380  O=C1C2=C(C=CC=C2)S(=O)(=O)N1Br T70822 [0,1,0,0,0,0|0,0,0]=1
3  B12R1.39  CCNS(=O)(=O)C1=CN=CC=C1 D74971 [0,0,1,0,0,0|2,0,1]=4
4  B12R1.107  CC(C)NC(=O)C1=CC=CC=C1 L10184 [0,0,1,0,0,0|3,0,0]=4
5  B12R1.261  O=C(Cl)C1=C([N+](=O)[O-])C=CC=C1 22079 [0,0,1,0,0,0|2,0,1]=4
6  B12R1.261  O=C(O)C1=C(C(=O)O)C=CC=C1 D91939 [0,0,1,0,0,0|2,0,1]=4
7  B14R2.29285  N[C@H]1CCS(=O)(=O)C2=C1C=CC=C2 71713 [0,0,0,0,0,1|2,0,1]=4
8  B11R1.87  CS(=O)(=O)C1=C(N)C=CC=C1 D72727 [1,0,1,0,0,0|2,0,0]=4
9  B11R1.87  O=S(=O)(Cl)C1=C(I)C=CC=C1 CK1137 [1,0,1,0,0,0|2,0,0]=4
10  B11R1.87  O=S(=O)(F)C1=C(Br)C=CC=C1 AT12021 [1,0,1,0,0,0|2,0,0]=4
11  B11R2.1  O=C1NN=C2C=CC=CN12 F14880 [2,0,0,0,0,0|2,0,0]=4
12  B13R1.29  CCNS(=O)(=O)C1=CC=C(N)C=C1 AT23141 [0,1,1,0,0,0|1,0,1]=4
13  B13R1.122  C=CCSS(=O)(=O)C1=CC=CC=C1 E71794 [0,1,1,0,0,0|2,0,0]=4
14  B13R1.347  O=S([O-])CS(=O)(=O)C1=CC=CC=C1 AT25007 [0,1,1,0,0,0|2,0,0]=4
15  B13R1.349  O=[N+]([O-])C1=C(S(=O)(=O)F)C=CC=C1 75592 [0,1,1,0,0,0|2,0,0]=4
16  B13R1.349  O=[N+]([O-])C1=C(S(=O)(=O)O)C=CC=C1 D91646 [0,1,1,0,0,0|2,0,0]=4
17  B13R1.3090  COC1=C(S(N)(=O)=O)C=C(N)C=C1 CS1215 [0,1,1,0,0,0|2,0,0]=4