0 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 F61644 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.22 NC1=NC(C2=CC=CC(Cl)=C2)=CS1 C51091 [0,0,0,0,0,0|0,2,2]=4 2 B14R2.22 NC1=NNC(C2=CC=CC(F)=C2)=C1 F61642 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 B5360 [0,0,0,0,0,0|3,1,0]=4 4 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 B47610 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 A51351 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 P9980 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 P48864 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 P61590 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P51871 [1,0,0,0,0,0|1,1,1]=4 13 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P16573 [1,0,0,0,0,0|1,1,1]=4 14 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F22907 [1,0,0,0,0,0|1,0,2]=4 15 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F52749 [1,0,0,0,0,0|1,0,2]=4 16 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F54122 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M52841 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 M38076 [0,0,1,0,0,0|2,1,0]=4 19 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 A49835 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(F)=C1 A49840 [0,0,1,0,0,0|3,0,0]=4 21 B15R2.28 O=C1CCC(C2=CC=CC(F)=C2)CC1 F32089 [0,0,0,0,0,1|3,0,0]=4 22 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [1,0,1,0,0,0|0,0,2]=4 27 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [1,0,1,0,0,0|0,0,2]=4 28 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 P51158 [2,0,0,0,0,0|0,0,2]=4 29 B14R2.70 CC1=C(F)C=C(C2=NOC=N2)C=C1 F64199 [1,1,0,0,0,0|1,0,1]=4 30 B14R2.4476 O=C(O)[C@@H]1C[C@H]1C2=CC=CC(F)=C2 F61658 [0,0,1,1,0,0|2,0,0]=4 31 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 F52403 [0,0,1,1,0,0|2,0,0]=4 32 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,0,1,0,1,0|2,0,0]=4 33 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,0,1,0,1,0|2,0,0]=4 34 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,0,1,0,1,0|2,0,0]=4 35 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,0,1,0,1,0|2,0,0]=4 36 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,0,1,0,1,0|1,1,0]=4 37 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,0,1,0,1,0|1,1,0]=4 38 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,0,1,0,1,0|1,0,0]=3 39 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,0,1,0,1,0|1,1,0]=4 40 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,0,1,0,1,0|2,0,0]=4 41 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [1,0,0,0,1,0|1,0,1]=4 42 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [1,0,0,0,1,0|1,0,1]=4 43 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,0,1,0|2,0,0]=4 44 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,0,1,0|2,0,0]=4 45 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 B8384 [1,0,0,0,1,0|0,1,1]=4 46 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [1,0,0,0,0,1|2,0,0]=4 47 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [1,0,0,0,0,1|1,0,1]=4 48 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [1,0,0,0,0,1|1,0,1]=4 49 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [1,0,0,0,0,1|1,0,1]=4