0 B11R1.166 CC1=CC(Cl)=C(C(=N)N)C=C1 1656AJ [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC1=CC=C(B(O)O)C(O)=C1 2171AB [0,0,0,0,0,0|3,0,0]=3 2 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 Q822 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 OB(O)C1=CC=C(Br)C=C1O Z1485 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CN(C)C1=CC=C(N)C=C1 8439AL [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 OC1=CC=C(C(F)F)C=C1 5425AB [1,0,0,0,0,0|3,0,0]=4 12 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 9031AD [1,0,0,0,0,0|3,0,0]=4 13 B10R1.25 CC1=CC=C(CBr)C(C)=C1 Z5135 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.25 CC1=CC=C(NN)C(Br)=C1 V7214 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.25 CC1=CC=C(NN)C(C)=C1 1052AL [1,0,0,0,0,0|3,0,0]=4 16 B10R1.25 COC1=CC=C(C)N=C1F Y3820 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.25 COC1=CC=C(N)C=C1N X6229 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.61 CC(O)C1=C(N)C=CC=N1 9430AH [1,0,0,0,0,0|3,0,0]=4 19 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.57 CC1=CC=C(B(O)O)C(CO)=C1 Z1358 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1N Y9468 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.232 CC1=C(N)C=C(C(C)C)C(O)=C1 2226AA [0,1,0,0,0,0|0,0,0]=1 24 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 8257AB [0,1,0,0,0,0|2,0,1]=4 25 B12R1.452 COC1=CC=C(C(C)=O)C(N)=C1 9388AH [0,1,0,0,0,0|2,0,1]=4 26 B12R1.893 CC(=O)C1=CC=C(C)C(C)=C1N Y7597 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.893 CC1=C(O)C(O)=C(C(C)C)C=C1 5722AF [0,1,0,0,0,0|0,0,0]=1 28 B12R1.1703 N[C@@H](CO)C1=CC=C(F)C=C1O X6902 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.1703 OC(CCl)C1=C(Cl)C=C(Cl)C=C1 6531AA [0,1,0,0,0,0|3,0,0]=4 30 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 3112AJ [0,0,0,1,0,0|3,0,0]=4 31 B12R2.612 C[C@@H]1NCC2=CC(Br)=CC=C21 8404AH [0,0,0,1,0,0|3,0,0]=4 32 B12R2.612 C[C@H]1NCC2=C1C=CC(Br)=C2 8357AH [0,0,0,1,0,0|3,0,0]=4 33 B12R2.1317 CC1=CC(F)=NC=C1C2CC2 Z1558 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.1317 FC1=CC=C(C2CC2)C(F)=C1 Z0171 [0,0,0,1,0,0|2,0,0]=3 35 B12R1.233 CC(C)OC1=CC=C(F)C=C1F Z0351 [0,0,0,0,0,1|2,0,0]=3 36 B9R0.1 C=C\C(C)=C\CC=C(C)C X3871 [1,0,1,0,0,0|0,0,2]=4 37 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 CC1=CN=C(CCl)C=C1 1952AC [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 CC(C)C1=NC=CN=C1 R572 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [2,0,0,0,0,0|1,0,0]=3 45 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [2,0,0,0,0,0|2,0,0]=4 46 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 CCC1=C(C)C=CN=C1 R348 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 CCC1=CC=CN=C1C X8230 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.69 CC1=CC=C(C)C(C)=N1 7915AF [2,0,0,0,0,0|2,0,0]=4 54 B9R1.69 CC1=CC=C(N)C=C1O I725 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.69 NC1=CC=C(I)C=C1O 7023AC [2,0,0,0,0,0|2,0,0]=4 56 B9R1.69 NC1=CC=C(O)C(O)=C1 5570AA [2,0,0,0,0,0|2,0,0]=4 57 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 7598AF [2,0,0,0,0,0|2,0,0]=4 58 B11R1.3 CN(C)C1=CC=C([N+]#N)C=C1 6474AL [1,1,0,0,0,0|2,0,0]=4 59 B11R1.3 CN(C)C1=CC=C([N+]#N)C=C1 6475AL [1,1,0,0,0,0|2,0,0]=4 60 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 W5767 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 X6413 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 Y8021 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 X9183 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.37 COC1=C(CCl)C=CC(F)=C1 9416AJ [1,1,0,0,0,0|2,0,0]=4 65 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 1144AL [1,1,0,0,0,0|2,0,0]=4 66 B11R1.37 COC1=CC=C(N)C=C1OC W5712 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.81 CCOC1=CC=C(C)N=C1F Y3506 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.81 CCOC1=CC=C(Cl)C=C1Cl Z0674 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.277 CC1=CC(O)=C(C=O)C=C1Br 9930AL [1,1,0,0,0,0|1,0,1]=4 70 B11R1.279 CSC1=CC=C(CO)C=C1F Z0430 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.464 CNC1=C(C)C=C(C)C=C1C 5545AA [1,1,0,0,0,0|2,0,0]=4 72 B11R1.464 COC1=C(Br)C=C(F)C=C1O Y3544 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.464 COC1=C(C)C=C(C)C=C1Br Z0756 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.464 COC1=C(F)C=C(C)C=C1Br Z1244 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.53 C#CC1=CC=CC=C1C(C)C X5377 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.53 COC1=C(C(C)Br)C=CC=C1 1291AB [1,1,0,0,0,0|1,0,0]=3 77 B11R1.53 COC1=CC=CC=C1[C@@H](C)N W7850 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.53 COC1=CC=CC=C1[C@H](C)N W7851 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.87 CC(C)(O)C1=CC=CN=C1F 7947AJ [1,1,0,0,0,0|2,0,0]=4 80 B11R1.87 C[Si](C)(C)C1=CC=CC=C1F 4722AJ [1,1,0,0,0,0|1,1,0]=4 81 B11R1.156 CC(N)C1=C(Cl)C=CC=C1Cl 8895AA [1,1,0,0,0,0|2,0,0]=4 82 B11R1.156 C[C@@H](N)C1=C(Cl)C=CC=C1Cl 2262AA [1,1,0,0,0,0|2,0,0]=4 83 B11R1.156 C[C@@H](O)C1=C(Cl)C=CC=C1Cl 8928AH [1,1,0,0,0,0|2,0,0]=4 84 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1Cl X9493 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.156 C[C@H](O)C1=C(Cl)C=CC=C1Cl 8393AH [1,1,0,0,0,0|2,0,0]=4 86 B11R1.159 CC1=C(S)C(C(C)C)=CC=C1 Z2574 [1,1,0,0,0,0|0,1,0]=3 87 B11R1.167 CC1=CC=C(C)C([C@H](C)N)=C1 W6200 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 3166AC [1,1,0,0,0,0|2,0,0]=4 89 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 6826AC [1,1,0,0,0,0|2,0,0]=4 90 B13R1.876 CC(C)OC1=C(Cl)C=C(Cl)C(N)=C1 S774 [0,1,0,0,0,1|2,0,0]=4 91 B13R1.2808 CC(C)OC1=C(Br)C=C(F)C=C1O Y3543 [0,1,0,0,0,1|1,0,0]=3 92 B13R1.2808 CC(C)OC1=C(Cl)C=C(Br)C=C1Br Z1266 [0,1,0,0,0,1|2,0,0]=4 93 B13R1.3528 CC1=C(C)C(OC(C)C)=CC=C1Br Z1474 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.651 CC1=C(N=O)C=C(C(C)C)C(O)=C1 W4731 [0,2,0,0,0,0|0,0,0]=2 95 B11R2.36 NC1=CC2=C(C=C1)OCO2 2287AB [1,0,0,1,0,0|2,0,0]=4 96 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [1,0,0,1,0,0|1,0,1]=4 97 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [1,0,0,1,0,0|2,0,0]=4 98 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.5397 CC1=CC2=C(C=C(C)C2)C(C)=C1 7504AA [0,0,0,1,0,1|1,0,1]=4 100 B13R2.662 NCC1CCC2=CC(Cl)=CC=C21 8831AH [0,1,0,1,0,0|2,0,0]=4 101 B11R1.20 CC(C)OC1=CN=C(F)C=C1 Z1060 [1,0,0,0,0,1|2,0,0]=4 102 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 1424AL [1,0,0,0,0,1|2,0,0]=4 103 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 Y9701 [1,0,0,0,0,1|2,0,0]=4 104 B11R1.86 CC(C)OC1=CC=CN=C1F Z0174 [1,0,0,0,0,1|2,0,0]=4 105 B11R1.86 CC(N)CC1=CC=CC=C1F 8826AA [1,0,0,0,0,1|2,0,0]=4