0 B13R2.12159 CC1(C)OC(=O)C2=C1C=CC=C2 A10944 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 O=C1CS(=O)(=O)C2=NC=CC=C12 E70027 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.12159 O=S1(=O)C=C(Br)C2=C1C=CC=C2 AC4677 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.2028 O=C1NC(=O)C2=NC=CN=C12 73842 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.2028 O=C1N[C@@H](O)C2=C1C=CC=N2 C14231 [1,0,0,0,0,0|2,0,1]=4 6 B14R2.4643 C[C@@H]1NS(=O)(=O)C2=C1C=C(Br)C=C2 C91817 [0,1,0,0,0,0|1,0,1]=3 7 B14R2.4643 O=S1(=O)N=C(Cl)C2=C1C=CC(Br)=C2 AT19025 [0,1,0,0,0,0|1,0,1]=3 8 B14R2.4643 O=S1(=O)N=C(O)C2=C1C=CC(Cl)=C2 H11117 [0,1,0,0,0,0|0,0,2]=3 9 B14R2.8052 O=C1NS(=O)(=O)C2=C1C(F)=CC=C2 AT23183 [0,1,0,0,0,0|0,0,0]=1 10 B14R2.8055 O=C1NS(=O)(=O)C2=C(Br)C=CC=C12 AT23187 [0,1,0,0,0,0|0,0,0]=1 11 B14R2.8055 O=C1NS(=O)(=O)C2=C(Cl)C=CC=C12 AT23184 [0,1,0,0,0,0|0,0,0]=1 12 B14R2.8732 O=S1(=O)N=C(Cl)C2=C1C=C(Br)C=C2 AT19026 [0,1,0,0,0,0|1,0,1]=3 13 B14R2.55357 CC1(C)NS(=O)(=O)C2=C1C=CC=C2 D78666 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 T71828 [0,0,1,0,0,0|3,0,0]=4 15 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 AC6576 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.76 COC1=C(S(N)(=O)=O)C=CC=C1 F53497 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.76 NNC1=C(S(=O)(=O)O)C=CC=C1 N10041 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.76 NNC1=C(S(N)(=O)=O)C=NC=C1 CS1113 [0,0,1,0,0,0|3,0,0]=4 19 B14R2.8189 O=C1NC2=C(C=CC=C2)S(=O)(=O)N1 D73950 [0,0,0,0,0,1|0,0,0]=1 20 B11R1.53 N#CC1=C(C(N)=O)C=CC=C1 T70416 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.87 NC1=C(S(=O)(=O)Cl)C=CC=C1 C72646 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.87 NS(=O)(=O)C1=C(Br)C=CC=N1 C90994 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.87 NS(=O)(=O)C1=C(Br)C=NC=C1 C91758 [1,0,1,0,0,0|2,0,0]=4 24 B13R1.29 C=COS(=O)(=O)C1=CC=C(C)C=C1 F17961 [0,1,1,0,0,0|2,0,0]=4 25 B13R1.30 CONS(=O)(=O)C1=CC=CC(Br)=C1 N10259 [0,1,1,0,0,0|2,0,0]=4 26 B13R1.2819 O=C=NS(=O)(=O)C1=C(Cl)C=CC=C1 D87665 [0,1,1,0,0,0|0,0,2]=4 27 B13R1.349 CS(=O)(=O)C1=C(C(=O)O)N=CC=C1 AT16227 [0,1,1,0,0,0|2,0,0]=4 28 B13R1.349 NS(=O)(=O)C1=C(C(=O)O)C=CC=C1 C75971 [0,1,1,0,0,0|0,0,0]=2 29 B13R1.381 CCNC1=C(S(N)(=O)=O)C=CC=C1 AT23133 [0,1,1,0,0,0|1,0,1]=4 30 B13R1.381 CCOC1=C(S(N)(=O)=O)C=CC=C1 F53486 [0,1,1,0,0,0|1,0,1]=4 31 B13R1.352 NS(=O)(=O)\C=C(/Cl)C1=CC=CC=C1 C16170 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.165 NC(=O)C1=C([N+](=O)[O-])C=C(O)C=C1 O11238 [0,1,1,0,0,0|1,0,1]=4 33 B13R1.295 CC1=CC=CC(C(N)=O)=C1[N+](=O)[O-] W18210 [0,1,1,0,0,0|1,0,1]=4 34 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O S11319 [1,1,0,0,0,0|1,0,0]=3 35 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)C1Br N12387 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=CC(Br)=C2 F13881 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=CC(N)=C2 F13873 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.5187 O=C1CC(=O)C2=C1C=CC(Br)=C2 D86839 [1,1,0,0,0,0|2,0,0]=4 39 B15R2.13973 CC1=NC2=C(C=C(Br)C=C2)S(=O)(=O)N1 D75453 [0,1,0,0,0,1|1,0,0]=3 40 B15R2.43587 C[C@H]1C2=C(C=CC(Br)=C2)S(=O)(=O)N1C C91818 [0,2,0,0,0,0|1,0,1]=4 41 B15R2.63892 CN1C(=O)C2=C(C=C(Cl)C=C2)S1(=O)=O H11568 [0,2,0,0,0,0|0,0,0]=2 42 B13R2.3122 O=S1(=O)NCNC2=C1C=CC=C2 D74066 [0,0,1,1,0,0|1,0,1]=4 43 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)S1 D73547 [0,0,1,1,0,0|1,1,0]=4 44 B11R1.58 O=CC1=C(S(=O)(=O)Cl)SC=C1 AT16594 [0,0,1,0,1,0|2,0,0]=4 45 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 A50922 [0,0,1,0,0,1|2,0,0]=4 46 B15R2.7341 C[C@H]1CNS(=O)(=O)C2=C(C=CC=C2)O1 E72397 [0,0,0,0,0,2|1,0,1]=4