0 B14R2.68 BrC1=CC=C(C=C1)C2=CC=CC=C2 AC190181 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.68 BrC1=CC=C(C=C1)C2=NC=CC=C2 AC181842 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.68 BrC1=CN=C(C=C1)C2=NC=CC=C2 AC310036 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.68 CC1=CC=C(C=C1)C2=NC=CC=C2 AC180149 [0,0,0,0,0,0|1,0,0]=1 4 B14R2.68 CC1=CN=C(C=C1)C2=CC=CC=N2 LN00203549 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.68 CN1CCC(=CC1)C2=CC=CC=C2 HY-15608 [0,0,0,0,0,0|1,0,3]=4 6 B14R2.68 IC1=CC=C(C=C1)C2=CC=CC=C2 AC180341 [0,0,0,0,0,0|1,0,0]=1 7 B14R2.68 NC1=CC=C(C=C1)C2=CC=CC=C2 AC020658 [0,0,0,0,0,0|1,0,0]=1 8 B14R2.68 NC1=NC=C(C=C1)C2=CC=CC=C2 AC181303 [0,0,0,0,0,0|2,0,0]=2 9 B14R2.68 O=C1NN=C(C=C1)C2=CC=CC=C2 AC180705 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=N2 AC511005 [1,0,0,0,0,0|1,0,0]=2 11 B13R2.3 C1=CC=C(C=C1)C2=CC=NC=C2 LN00144929 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.3 C1=CC=C([C]=C1)C2=CC=CC=N2 LN01745295 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.3 C1=CC=NC(=C1)C2=CN=CC=C2 LN00203300 [1,0,0,0,0,0|2,0,0]=3 14 B15R2.1 BrCC1=CC=C(C=C1)C2=CC=CC=C2 AC190249 [0,1,0,0,0,0|0,0,0]=1 15 B15R2.1 C#CC1=CC=C(C=C1)C2=CC=CC=C2 AC500071 [0,1,0,0,0,0|0,0,1]=2 16 B15R2.1 N#CC1=NC=C(C=C1)C2=CC=CC=C2 AC050528 [0,1,0,0,0,0|1,0,1]=3 17 B15R2.1 O=CC1=CC=C(C=C1)C2=CC=CC=C2 AC500049 [0,1,0,0,0,0|0,0,1]=2 18 B15R2.1 O=CC1=CC=C(C=C1)C2=CC=CC=N2 AC181363 [0,1,0,0,0,0|1,0,1]=3 19 B15R2.3 BrC1=CC=C(C=C1)C2=CC=C(Br)C=C2 AC180003 [0,1,0,0,0,0|1,0,0]=2 20 B15R2.3 BrC1=CN=C(C=C1)C2=NC=C(Br)C=C2 AC310083 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.3 C1=C(C=CC(=C1)Br)C2=CC=C(C=C2)O LN00199776 [0,1,0,0,0,0|1,0,0]=2 22 B15R2.3 C1=CC(=NC=C1Br)C2=NC=C(C=C2)Br LN01317502 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.3 CC1=CN=C(C=C1)C2=NC=C(C)C=C2 AC310004 [0,1,0,0,0,0|2,0,0]=3 24 B15R2.94 CC1=CC(=CC=C1Br)C2=CC=CC=C2 AC050201 [0,1,0,0,0,0|1,0,0]=2 25 B15R2.389 C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F LN00176297 [0,1,0,0,0,0|2,0,0]=3 26 B15R2.389 FC1=CC=C(C(F)=C1)C2=NC=CC=C2 AC310121 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.10 BrC1=CN(N=C1)C2=CC=CC=C2 AC180952 [0,0,0,0,1,0|3,0,0]=4 28 B13R2.10 NC1=NC=C(S1)C2=CC=CC=C2 AC180350 [0,0,0,0,1,0|3,0,0]=4 29 B13R2.12 FC1=CC=C(C=C1)C2=CC=CS2 AC021450 [0,0,0,0,1,0|2,0,0]=3 30 B13R2.12 OC1=CC=C(C=C1)N2C=CN=C2 AC030151 [0,0,0,0,1,0|3,0,0]=4 31 B15R2.29 BrC1=CC=[N+](CC2=CC=CC=C2)C=C1 AC160688 [0,0,0,0,0,1|2,0,0]=3 32 B15R2.29 NC1=CC=C(OC2=CC=NC=C2)C=C1 AC020502 [0,0,0,0,0,1|2,0,0]=3 33 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 AC190313 [0,0,0,0,0,1|1,0,0]=2 34 B14R2.21 BrC1=CC(=NC=C1)C2=NC=CC=C2 AC310034 [1,1,0,0,0,0|2,0,0]=4 35 B14R2.21 BrC1=CC=CC(=N1)C2=NC=CC=C2 AC310035 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.21 CC1=CC=NC(=C1)C2=CC=CC=N2 AC360014 [1,1,0,0,0,0|2,0,0]=4 37 B14R2.21 CC1=NC(=CC=C1)C2=CC=CC=N2 AC360012 [1,1,0,0,0,0|2,0,0]=4 38 B14R2.21 ClC1=CC(=NC=C1)C2=NC=CC=C2 AC310008 [1,1,0,0,0,0|2,0,0]=4 39 B14R2.21 ClC1=CC=CC(=N1)C2=NC=CC=C2 AC310007 [1,1,0,0,0,0|2,0,0]=4 40 B14R2.21 NC1=CC(=NC=C1)C2=CC=CC=C2 AC181290 [1,1,0,0,0,0|1,0,0]=3 41 B14R2.21 NC1=CC=CC(=N1)C2=CC=CC=N2 AC360013 [1,1,0,0,0,0|2,0,0]=4 42 B14R2.21 NC1=NC=CC(=C1)C2=CC=CC=C2 AC180751 [1,1,0,0,0,0|1,0,0]=3 43 B14R2.24 BrC1=CC=CC=C1C2=CC=CC=C2 AC180002 [1,1,0,0,0,0|0,0,0]=2 44 B14R2.24 IC1=CC=CC=C1C2=CC=CC=C2 AC510691 [1,1,0,0,0,0|0,0,0]=2 45 B14R2.24 NC1=CC=CC=C1C2=CC=CC=C2 AC190320 [1,1,0,0,0,0|0,0,0]=2 46 B14R2.22 NC1=CC(=CS1)C2=CC=CC(Cl)=C2 AC051176 [0,1,0,0,1,0|2,0,0]=4 47 B14R2.1 COC1=CC=C(C=C1)N2C=CC=C2 AC260012 [0,1,0,0,1,0|1,0,0]=3 48 B14R2.1 NCC1=CC=C(C=C1)N2C=CC=N2 AC181485 [0,1,0,0,1,0|2,0,0]=4 49 B16R2.2 O=CC1=CC=C(OC2=CC=CC=C2)C=C1 AC180062 [0,1,0,0,0,1|0,0,1]=3 50 B16R2.120 ClC(C1=CC=C(Cl)C=C1)C2=NC=CC=C2 AC020679 [0,1,0,0,0,1|2,0,0]=4 51 B16R2.120 ClC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 AC220175 [0,1,0,0,0,1|1,0,0]=3 52 B16R2.120 OC(C1=CC=C(Cl)C=C1)C2=NC=CC=C2 AC020046 [0,1,0,0,0,1|2,0,0]=4 53 B16R2.1 CC1=CC(=CC=C1)C2=CC=C(CO)C=C2 AC050649 [0,2,0,0,0,0|0,0,0]=2 54 B16R2.13 C1=C(C=CC(=C1)C2=CC=C(C=C2)O)C#N LN00174261 [0,2,0,0,0,0|0,0,1]=3 55 B16R2.13 FC1=CN=C(N=C1)C2=CC=C(CCl)C=C2 AC021377 [0,2,0,0,0,0|2,0,0]=4 56 B16R2.13 OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N AC180546 [0,2,0,0,0,0|0,0,1]=3 57 B16R2.85 C1=C(C=CC(=C1)C(=O)O)C2=CC=NC=C2 LN00002875 [0,2,0,0,0,0|1,0,1]=4 58 B16R2.85 C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O LN00139420 [0,2,0,0,0,0|1,0,0]=3 59 B16R2.85 OB(O)C1=CC=C(C=C1)C2=CC=CC=C2 AC180681 [0,2,0,0,0,0|1,0,0]=3 60 B16R2.85 OB(O)C1=CC=C(C=C1)C2=CC=CN=C2 AC090021 [0,2,0,0,0,0|2,0,0]=4 61 B16R2.85 OB(O)C1=CC=C(C=C1)C2=CC=NC=C2 AC090024 [0,2,0,0,0,0|2,0,0]=4 62 B16R2.85 OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 AC180045 [0,2,0,0,0,0|0,0,1]=3 63 B16R2.85 OC(=O)C1=CC=C(C=C1)C2=CC=NC=C2 AC310134 [0,2,0,0,0,0|1,0,1]=4 64 B16R2.85 OC(=O)C1=NC=C(C=C1)C2=CC=CC=C2 AC050643 [0,2,0,0,0,0|1,0,1]=4 65 B16R2.85 [O-][N+](=O)C1=CC=C(C=C1)C2=CC=CC=C2 AC020474 [0,2,0,0,0,0|1,0,0]=3 66 B16R2.2279 ClC1=NC(=CC=C1C#N)C2=CC=CC=C2 AC181206 [0,2,0,0,0,0|1,0,1]=4 67 B16R2.175 CC1=CC=C(C=C1)C2=CC=CC(CO)=C2 AC050703 [0,2,0,0,0,0|0,0,0]=2 68 B16R2.26 CC1=CC=C(C=C1)C2=CC=CC=C2CO AC050245 [0,2,0,0,0,0|0,0,0]=2 69 B16R3.2583 BrC1=CC=C2NC3=C(C=CC=C3)C2=C1 AC511534 [0,0,0,1,0,1|1,0,0]=3 70 B16R3.2583 BrC1=CC=C2SC3=CC=CC=C3C2=C1 AC180669 [0,0,0,1,0,1|1,0,0]=3 71 B16R3.2583 C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)S2 LN00191549 [0,0,0,1,0,1|1,0,0]=3 72 B16R3.2637 BrC1=CC=C2C(OC3=CC=CC=C23)=C1 AC050489 [0,1,0,1,0,0|1,0,0]=3 73 B16R3.2637 C1=CC2=C(C=C1Br)NC3=CC=NC=C23 LN01816448 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.2 N1C=CC(=N1)C2=CC=CC=C2 AC180806 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.2 S1C=CC=C1C2=NC=CC=C2 AC310124 [1,0,0,0,1,0|2,0,0]=4 76 B14R2.6 [I+](C1=CC=CC=C1)C2=CC=CC=C2 AC510921 [1,0,0,0,0,1|0,0,0]=2 77 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 AC130303 [0,0,0,0,0,2|1,0,0]=3 78 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)N=C1 AC511240 [0,0,0,0,0,2|2,0,0]=4 79 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 AC511187 [0,0,0,0,0,2|1,0,0]=3 80 B16R2.132 [O-][N+]1=CC=C(OCC2=CC=CC=C2)C=C1 AC130208 [0,0,0,0,0,2|2,0,0]=4