0 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 C61685 [0,0,0,0,0,0|0,1,2]=3 1 B14R2.20 NC1=NC(C2=CC=C(O)C=C2)=CS1 A51428 [0,0,0,0,0,0|1,1,2]=4 2 B14R2.20 NC1=NC=C(C2=CC=C(Cl)C=C2)S1 C51092 [0,0,0,0,0,0|2,0,2]=4 3 B14R2.20 NC1=NNC(C2=CC=C(Cl)C=C2)=C1 C62148 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 B52394 [0,0,0,0,0,0|2,1,1]=4 5 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 H52567 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 C52398 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 F52400 [0,0,0,0,0,0|3,1,0]=4 8 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 B61250 [0,0,0,0,0,0|3,1,0]=4 9 B14R2.20 OC1=NN(C2=CC=C(Cl)C=C2)C=C1 C38446 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 B47610 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 A51351 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 P9980 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 P48864 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 P61590 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P51871 [1,0,0,0,0,0|1,1,1]=4 19 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P16573 [1,0,0,0,0,0|1,1,1]=4 20 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 C37360 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 C52747 [1,0,0,0,0,0|1,0,2]=4 22 B13R2.12 ClC1=CC=C([C@H]2CCCN2)C=C1 C52745 [1,0,0,0,0,0|1,0,2]=4 23 B15R2.299 NC1=NC(C2=CC(Cl)=C(Cl)C=C2)=CS1 D50805 [0,1,0,0,0,0|0,1,2]=4 24 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 M52626 [0,0,1,0,0,0|2,1,0]=4 25 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 M52652 [0,0,1,0,0,0|2,1,0]=4 26 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [0,0,1,0,0,0|3,0,0]=4 27 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M68976 [0,0,1,0,0,0|3,0,0]=4 29 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A49819 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A61063 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 C38697 [0,0,1,0,0,0|3,0,0]=4 33 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 C13101 [0,0,0,0,1,0|2,1,0]=4 34 B15R2.3 O=C1CCC(C2=CC=C(Cl)C=C2)CC1 C38089 [0,0,0,0,0,1|3,0,0]=4 35 B15R2.28 NC1=NC=CC(C2=CC=C(Cl)C=C2)=N1 C53687 [0,0,0,0,0,1|1,0,2]=4 36 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A52696 [0,0,0,0,0,1|2,0,1]=4 37 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [1,0,1,0,0,0|1,0,1]=4 38 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [1,0,1,0,0,0|0,0,2]=4 43 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [1,0,1,0,0,0|0,0,2]=4 44 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 P51158 [2,0,0,0,0,0|0,0,2]=4 45 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [0,1,1,0,0,0|2,0,0]=4 46 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 C53997 [0,0,1,1,0,0|2,0,0]=4 47 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [0,0,1,0,1,0|1,1,0]=4 48 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [0,0,1,0,1,0|1,0,0]=3 49 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [0,0,1,0,1,0|1,1,0]=4 50 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [0,0,1,0,1,0|1,1,0]=4 51 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [0,0,1,0,1,0|2,0,0]=4 52 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 M25037 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,0,1,0,1,0|1,0,0]=3 55 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,0,1,0,1,0|1,1,0]=4 56 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,0,1,0,1,0|2,0,0]=4 57 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,0,1,0,1,0|2,0,0]=4 58 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,0,1,0,1,0|2,0,0]=4 59 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,0,1,0,1,0|2,0,0]=4 60 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,0,1,0,1,0|2,0,0]=4 61 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,0,1,0,1,0|2,0,0]=4 62 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,0,1,0,1,0|2,0,0]=4 63 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,0,1,0,1,0|2,0,0]=4 64 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [1,0,0,0,1,0|1,0,1]=4 65 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [1,0,0,0,1,0|1,0,1]=4 66 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,0,1,0|2,0,0]=4 67 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,0,1,0|2,0,0]=4 68 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [1,0,0,0,1,0|0,1,1]=4 69 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [1,0,0,0,1,0|1,0,1]=4 70 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,0,0,0,2,0|1,0,1]=4 71 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [1,0,0,0,0,1|2,0,0]=4 72 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [1,0,0,0,0,1|1,0,1]=4 73 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 P52557 [1,0,0,0,0,1|1,0,1]=4