0 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 S16664 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.12159 O=C1O[IH2+]([O-])(O)C2=CC=CC=C12 H13416 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.12159 O=C1[N-]S(=O)(=O)C2=CC=CC=C12 S16665 [0,0,0,0,0,0|0,0,1]=1 3 B13R2.12159 O=S1(=O)N=C([O-])C2=C1C=CC=C2 S5064 [0,0,0,0,0,0|0,0,2]=2 4 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 P16661 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 P16660 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 B9580 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.39 O=C=NS(=O)(=O)C1=CC=CC=C1 B8330 [0,0,1,0,0,0|0,0,2]=3 8 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C9220 [0,0,1,0,0,0|2,0,1]=4 9 B12R1.76 O=CC1=C(S(=O)(=O)O)C=CC=C1 F1157 [0,0,1,0,0,0|1,0,0]=2 10 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 B8220 [0,0,1,0,0,0|2,1,0]=4 11 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 B7666 [0,0,1,0,0,0|2,0,1]=4 12 B12R1.261 O=C([O-])C1=C([N+](=O)[O-])C=CC=C1 N8553 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 P7773 [1,0,1,0,0,0|1,0,0]=3 14 B11R1.53 O=CC1=CC=CC=C1C(=O)O C6121 [1,0,1,0,0,0|1,0,1]=4 15 B11R1.87 NS(=O)(=O)C1=C(F)C=CC=C1 F8016 [1,0,1,0,0,0|1,0,0]=3 16 B11R1.87 NS(=O)(=O)C1=CN=CC=C1Cl C10270 [1,0,1,0,0,0|2,0,0]=4 17 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CC=C1 C9485 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1F F8788 [1,0,1,0,0,0|2,0,0]=4 19 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [2,0,0,0,0,0|2,0,0]=4 20 B11R2.1 O=C1COC2=C1C=CC=C2 C11757 [2,0,0,0,0,0|1,1,0]=4 21 B11R2.1 O=C1NN=C2C=CC=CN12 T6811 [2,0,0,0,0,0|2,0,0]=4 22 B11R2.1 O=C1NSC2=CC=CC=C12 B3703 [2,0,0,0,0,0|0,0,1]=3 23 B13R1.29 CCNS(=O)(=O)C1=CC=C(N)C=C1 A9045 [0,1,1,0,0,0|1,0,1]=4 24 B13R1.29 O=C=NS(=O)(=O)C1=CC=C(Cl)C=C1 C9809 [0,1,1,0,0,0|0,0,2]=4 25 B13R1.2819 CC1=C(S(=O)(=O)N=C=O)C=CC=C1 T8892 [0,1,1,0,0,0|0,0,2]=4 26 B13R1.349 CS(=O)(=O)C1=CC=CC=C1C(=O)O M17712 [0,1,1,0,0,0|1,0,0]=3 27 B13R1.349 NS(=O)(=O)C1=C([N+](=O)[O-])C=CC=C1 N9120 [0,1,1,0,0,0|1,0,0]=3 28 B13R1.349 O=[N+]([O-])C1=C(S(=O)(=O)O)C=CC=C1 N9156 [0,1,1,0,0,0|2,0,0]=4 29 B13R1.349 O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)Cl N19369 [0,1,1,0,0,0|2,0,0]=4 30 B13R1.349 O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[O-] N10113 [0,1,1,0,0,0|2,0,0]=4 31 B13R1.547 NNC(=O)C1=C([N+](=O)[O-])C=CC=C1 N8246 [0,1,1,0,0,0|1,0,1]=4 32 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Cl C2033 [1,1,0,0,0,0|1,0,0]=3 33 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2Cl C8298 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2F F5241 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.5187 CC1=CC2=C(C=C1)C(=O)OC2=O M0653 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.5187 NC1=CC=C2C(=O)NC(=O)C2=C1 A1226 [1,1,0,0,0,0|1,0,0]=3 37 B13R2.5187 O=C1NC(=O)C2=C1C=CC(Br)=C2 B10132 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.5187 O=C1NC(=O)C2=C1C=CC(Br)=C2 B10132 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 B10173 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 C8299 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 C8299 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.5187 O=C1OC(=O)C2=C1C=CC(F)=C2 F5242 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 B6500 [0,0,1,1,0,0|1,0,1]=4 44 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 D3374 [0,0,1,1,0,0|2,0,0]=4