0 B15R2.2226 ClP(C1=CC=CC=C1)C2=CC=CC=C2 06895 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 26787 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 27347 [0,0,0,0,0,0|1,0,1]=2 3 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 26855 [0,0,0,0,0,0|0,0,0]=0 4 B14R2.6 C1=CC=C(CC2=CC=CC=C2)C=C1 30341 [1,0,0,0,0,0|0,0,1]=2 5 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 32013 [1,0,0,0,0,0|1,0,0]=2 6 B14R2.6 C1=CC=C(OC2=CN=CC=C2)C=C1 26115 [1,0,0,0,0,0|2,0,0]=3 7 B16R2.120 C=C(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 18487 [0,1,0,0,0,0|1,0,0]=2 8 B16R2.120 NC(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 26090 [0,1,0,0,0,0|1,0,1]=3 9 B16R2.120 N[C@@H](C1=CC=CC=C1)C2=CC=C(Cl)C=C2 24385 [0,1,0,0,0,0|1,0,1]=3 10 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 30375 [0,1,0,0,0,0|0,0,0]=1 11 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(F)C=C2 26747 [0,1,0,0,0,0|0,0,0]=1 12 B16R2.120 O=C(C1=CC=CC=C1)C2=CC=C(O)C=C2 30367 [0,1,0,0,0,0|0,0,0]=1 13 B16R2.187 N#CC(C1=CC=CC=C1)C2=CC=CC=C2 30334 [0,1,0,0,0,0|1,0,1]=3 14 B16R2.187 N#CC(C1=CC=CC=C1)C2=NC=CC=C2 27483 [0,1,0,0,0,0|2,0,1]=4 15 B16R2.187 NCC(C1=CC=CC=C1)C2=CC=CC=C2 23235 [0,1,0,0,0,0|1,0,1]=3 16 B16R2.187 NN=C(C1=CC=CC=C1)C2=CC=CC=C2 30416 [0,1,0,0,0,0|1,0,0]=2 17 B16R2.187 OCC(C1=CC=CC=C1)C2=CC=CC=C2 22352 [0,1,0,0,0,0|0,0,2]=3 18 B16R2.236 C=C(C1=CC=CC=C1)C2=CC(Cl)=CC=C2 18486 [0,1,0,0,0,0|1,0,0]=2 19 B16R2.236 NC1=CC(C(=O)C2=CC=CC=C2)=CC=C1 27439 [0,1,0,0,0,0|0,0,0]=1 20 B16R2.2945 CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 26913 [0,1,0,0,0,0|0,0,2]=3 21 B16R2.2945 O=P(Cl)(C1=CC=CC=C1)C2=CC=CC=C2 26798 [0,1,0,0,0,0|1,0,0]=2 22 B16R2.2945 O=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2 27121 [0,1,0,0,0,0|1,0,0]=2 23 B16R2.3896 OC(C1=CC=CC=C1)C2=CC=NC=C2Cl 23963 [0,1,0,0,0,0|1,0,2]=4 24 B16R3.20606 O=C1C2=CC=CC=C2C3=C1C=CC=C3 01405 [0,0,0,1,0,0|0,0,0]=1 25 B15R2.29 NC1=CC=C(OC2=CC=CC=C2)C=C1 27151 [1,1,0,0,0,0|1,0,0]=3 26 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 25836 [1,1,0,0,0,0|1,0,0]=3 27 B15R2.31 CC1=CC(NC2=CC=CC=C2)=CC=C1 27182 [1,1,0,0,0,0|1,0,0]=3 28 B15R2.31 CC1=CC(OC2=CC=CC=C2)=CC=C1 27183 [1,1,0,0,0,0|1,0,0]=3 29 B17R2.192 CC1=CC=C(C(=O)CC2=CC=NC=C2)C=C1 20044 [0,1,0,0,0,1|1,0,0]=3 30 B17R2.3417 NC1=CC=CC=C1C(=O)NC2=CC=CN=C2 26159 [0,1,0,0,0,1|1,0,0]=3 31 B17R2.5293 O=C1N=C(NC(=O)C2=CC=CC=C2)C=CN1 30036 [0,1,0,0,0,1|2,0,0]=4 32 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@@H](N)C2=CC=CC=C2 30701 [0,1,0,0,0,1|1,0,1]=4 33 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@H](N)C2=CC=CC=C2 30700 [0,1,0,0,0,1|1,0,1]=4 34 B17R2.10205 O=C(C(=O)C1=CC=CC=C1)C2=CC=CC=C2 29841 [0,1,0,0,0,1|0,0,0]=2 35 B17R2.10205 O=C(C1=CC=CC=C1)C(O)C2=CC=CC=C2 29840 [0,1,0,0,0,1|0,0,0]=2 36 B17R2.20249 O=S(=O)(CC1=CC=CC=C1)C2=CC=CC=C2 27500 [0,1,0,0,0,1|1,0,0]=3 37 B17R2.68 COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1 30423 [0,2,0,0,0,0|0,0,0]=2 38 B17R2.217 CC1=CC=C(C(=O)C2=CC=C(C)C=C2)C=C1 27442 [0,2,0,0,0,0|0,0,0]=2 39 B17R2.217 CC1=CC=C(C(O)C2=CC=C(C)C=C2)C=C1 27443 [0,2,0,0,0,0|0,0,2]=4 40 B17R2.217 O=C(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2 26757 [0,2,0,0,0,0|0,0,0]=2 41 B17R2.217 O=C(C1=CC=C(F)C=C1)C2=CC=C(F)C=C2 30401 [0,2,0,0,0,0|0,0,0]=2 42 B17R2.217 O=C(C1=CC=C(O)C=C1)C2=CC=C(Cl)C=C2 30408 [0,2,0,0,0,0|0,0,0]=2 43 B17R2.217 O=C(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2 30424 [0,2,0,0,0,0|0,0,0]=2 44 B17R2.219 O=C(C1=CC=CC=C1)C2=CC=C(O)C(O)=C2 28347 [0,2,0,0,0,0|0,0,0]=2 45 B17R2.291 CC1=CC=C(C(CN)C2=CC=CC=C2)C=C1 23479 [0,2,0,0,0,0|1,0,1]=4 46 B17R2.291 N#CC(C1=CC=CC=C1)C2=CC=C(F)C=C2 23241 [0,2,0,0,0,0|1,0,1]=4 47 B17R2.291 NCC(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 23457 [0,2,0,0,0,0|1,0,1]=4 48 B17R2.291 NCC(C1=CC=CC=C1)C2=CC=C(F)C=C2 23478 [0,2,0,0,0,0|1,0,1]=4 49 B17R2.381 O=C(C1=CC=C(Cl)C=C1)C2=C(Cl)C=CC=C2 27549 [0,2,0,0,0,0|0,0,0]=2 50 B17R2.381 O=C(C1=CC=C(F)C=C1)C2=C(F)C=CC=C2 31166 [0,2,0,0,0,0|0,0,0]=2 51 B17R2.5362 O=C(C1=CC=CC=C1)C2=C(O)C=C(O)C=C2 26811 [0,2,0,0,0,0|0,0,0]=2 52 B17R2.2712 C#CC(O)(C1=CC=CC=C1)C2=CC=CC=C2 27606 [0,2,0,0,0,0|0,0,2]=4 53 B17R2.5711 CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 21838 [0,2,0,0,0,0|0,0,1]=3 54 B17R2.5711 NC(=O)C(C1=CC=CC=C1)C2=NC=CC=C2 27975 [0,2,0,0,0,0|1,0,1]=4 55 B17R2.5711 O=C(O)C(C1=CC=CC=C1)C2=CC=CC=C2 21909 [0,2,0,0,0,0|0,0,1]=3 56 B17R2.5356 O=C(C1=CC=CC=C1)C2=C(O)C=CC(Br)=C2 26060 [0,2,0,0,0,0|0,0,0]=2 57 B17R2.5356 O=C(C1=CC=CC=C1)C2=CC(Cl)=CC=C2Cl 27866 [0,2,0,0,0,0|0,0,0]=2 58 B17R2.3434 NC1=C(S(=O)(=O)C2=CC=CC=C2)C=CC=C1 27135 [0,2,0,0,0,0|1,0,0]=3 59 B15R2.17 O=CC1=CC(C2=CC=CC=C2)=CC=C1 17068 [0,0,1,1,0,0|2,0,0]=4 60 B15R2.21 O=CC1=C(C2=CC=CC=C2)C=CC=C1 23416 [0,0,1,1,0,0|2,0,0]=4 61 B15R3.3 C1=CC2=C(C=C1)C3=CC=NC=C3N2 21621 [1,0,0,1,0,0|2,0,0]=4 62 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 29755 [1,0,0,1,0,0|0,0,1]=3 63 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=C3 30914 [1,0,0,1,0,0|1,0,0]=3 64 B15R3.3 C1=CC=C2C(=C1)SC3=C2C=CC=C3 31048 [1,0,0,1,0,0|1,0,0]=3 65 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)N2)C=C1 21970 [0,0,0,1,0,1|1,0,0]=3 66 B17R3.8708 C1=CC=C(C2=CN3C=CC=CC3=N2)C=C1 17452 [0,0,0,1,0,1|2,0,0]=4 67 B17R3.54615 BrC1=C2C=CC=CC2=C3C=CC=CC3=C1 22498 [0,0,0,1,0,1|1,0,0]=3 68 B17R3.182920 CCN1C2=CC=CC=C2C3=C1C=CC=C3 30930 [0,1,0,1,0,0|2,0,0]=4 69 B17R3.182920 OCC1C2=CC=CC=C2C3=C1C=CC=C3 00143 [0,1,0,1,0,0|0,0,2]=4 70 B17R3.31819 O=C1C2=CC(Br)=CC=C2C3=C1C=CC=C3 30895 [0,1,0,1,0,0|0,0,0]=2 71 B17R3.35227 BrC1=C2C=CC=CC2=CC3=CC=CC=C31 30886 [0,1,0,1,0,0|1,0,0]=3 72 B17R3.35227 C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31 22198 [0,1,0,1,0,0|2,0,0]=4 73 B17R3.35227 O=C1C2=CC=CC=C2CC3=C1C=CC=C3 21906 [0,1,0,1,0,0|0,0,0]=2 74 B17R3.35227 O=C1C2=CC=CC=C2CC3=C1C=CC=C3 30175 [0,1,0,1,0,0|0,0,0]=2 75 B13R2.3 C1=CC(C2=CC=NC=C2)=CC=N1 21904 [1,0,0,0,1,0|2,0,0]=4 76 B13R2.3 C1=CC=C(C2=CC=CC=C2)C=C1 30975 [1,0,0,0,1,0|0,0,0]=2 77 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 24513 [1,0,0,0,1,0|1,0,0]=3 78 B13R2.3 C1=CC=[N+](C2=CC=NC=C2)C=C1 31292 [1,0,0,0,1,0|2,0,0]=4 79 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 00532 [1,0,0,0,1,0|2,0,0]=4 80 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 31106 [1,0,0,0,1,0|2,0,0]=4 81 B15R2.2195 C(#CC1=CC=CC=N1)C2=CC=CC=C2 28356 [1,0,0,0,0,1|1,0,1]=4 82 B15R2.2195 C(#CC1=CC=CN=C1)C2=CC=CC=C2 29144 [1,0,0,0,0,1|1,0,1]=4 83 B15R2.2195 C1=CC=C(CNC2=NC=CC=C2)C=C1 27013 [1,0,0,0,0,1|1,0,1]=4 84 B15R2.2195 C1=CC=C([Se][Se]C2=CC=CC=C2)C=C1 14373 [1,0,0,0,0,1|1,0,0]=3 85 B15R2.2195 C1=CC=C(\C=C\C2=CC=CC=C2)C=C1 21915 [1,0,0,0,0,1|0,0,0]=2 86 B17R2.143 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2 21958 [0,0,0,0,0,2|0,0,0]=2 87 B17R2.143 O=C(NC1=CC=CC=C1)NC2=CC=CC=C2 01473 [0,0,0,0,0,2|0,0,0]=2 88 B17R2.143 O=C(OC1=NC=CC=C1)OC2=NC=CC=C2 31230 [0,0,0,0,0,2|2,0,0]=4 89 B17R2.143 ON(CC1=CC=CC=C1)CC2=CC=CC=C2 31866 [0,0,0,0,0,2|1,0,1]=4 90 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CC=CC=C2 26854 [0,0,0,0,0,2|0,0,0]=2