0 B11R1.83 C=CCC1=CN=C(OC)C=C1 Y3799 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.83 CCC1=CC=C(CC#N)C=C1 7208AB [0,0,0,0,0,0|2,0,1]=3 2 B11R1.83 CCCC1=CC=C(NN)C=C1 8805AH [0,0,0,0,0,0|2,0,0]=2 3 B11R1.83 CCCC1=CN=C(OC)C=C1 Z1365 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.83 COC1=CC=C(C[Mg]Cl)C=C1 8161AJ [0,0,0,0,0,0|2,0,0]=2 5 B11R1.83 CSC1=CC=C(N=C=O)C=C1 5239AD [0,0,0,0,0,0|2,1,1]=4 6 B11R1.83 CSC1=CC=C(N=C=S)C=C1 Y7673 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.83 N#CC1=CC=C(CCN)C=C1 5946AA [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 CC1=CC=C(CC=O)C=C1 U064 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.1 CCOC1=NC=C(C)N=C1 0448AC [1,0,0,0,0,0|3,0,0]=4 10 B10R1.1 CNCC1=CC=C(Cl)N=C1 0994AD [1,0,0,0,0,0|3,0,0]=4 11 B10R1.1 CNCC1=CC=C(O)C=C1 9883AL [1,0,0,0,0,0|1,0,0]=2 12 B10R1.1 COCC1=CN=C(Cl)C=C1 Z2539 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.1 COCC1=NC=C(Br)C=C1 Y3500 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.1 FC1=CC=C(C[Mg]Cl)C=C1 8149AJ [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 O=CCC1=CC=C(O)C=C1 Y9945 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.3 CCC1=CC=C(CCl)C=C1 O299 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.3 CCC1=CC=C([Mg]Br)C=C1 8146AJ [1,0,0,0,0,0|2,0,0]=3 18 B10R1.3 COC1=CC=C(NN)C=N1 8106AA [1,0,0,0,0,0|3,0,0]=4 19 B10R1.3 COC1=CN=C(CBr)C=C1 0719AB [1,0,0,0,0,0|2,0,0]=3 20 B10R1.3 CSC1=CC=C([Mg]Br)C=C1 8189AJ [1,0,0,0,0,0|2,1,0]=4 21 B12R1.4 C=CC1=CC=C(CC(C)C)C=C1 X3636 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 8794AJ [0,1,0,0,0,0|1,0,1]=3 23 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 8782AH [0,1,0,0,0,0|3,0,0]=4 24 B12R1.4 COC1=CC=C(CC(C)N)C=C1 T812 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 8764AB [0,1,0,0,0,0|0,0,0]=1 26 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 Z3283 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 1770AL [0,1,0,0,0,0|1,0,2]=4 28 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 8207AA [0,1,0,0,0,0|1,0,2]=4 29 B12R1.5 COC1=CC=C([C@H](O)CN)C=C1 6341AB [0,1,0,0,0,0|1,0,0]=2 30 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 Y9382 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.5 N#CC1=CC=C(C(O)CN)C=C1 5639AC [0,1,0,0,0,0|3,0,0]=4 32 B12R1.71 CCCCC1=CC=C(NN)C=C1 7303AE [0,1,0,0,0,0|2,0,0]=3 33 B12R1.71 CNCCC1=CC=C(OC)C=C1 9307AH [0,1,0,0,0,0|0,0,0]=1 34 B12R1.71 COC1=CC=C(CCCCl)C=C1 6395AE [0,1,0,0,0,0|0,0,0]=1 35 B12R1.71 COC1=CC=C(COC=O)C=C1 8085AF [0,1,0,0,0,0|1,0,1]=3 36 B12R1.113 CC(=O)C1=CC=C(CCN)C=C1 3370AB [0,1,0,0,0,0|2,0,0]=3 37 B12R1.114 COC1=CC=C(N=C=O)C(C)=C1 X2979 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.116 N#CCC1=CC=C(CCN)C=C1 1434AJ [0,1,0,0,0,0|2,0,1]=4 39 B12R2.9 COC1=CC=C([C@@H]2CO2)C=C1 U340 [0,0,0,1,0,0|1,0,0]=2 40 B12R2.9 COC1=NC=C(C2CC2)C=C1 Y3607 [0,0,0,1,0,0|1,0,0]=2 41 B12R2.44 NCC1=CC2=C(C=C1)COC2 9618AH [0,0,0,1,0,0|3,0,0]=4 42 B12R2.44 NCC1=CC2=C(CCC2)N=C1 Y2010 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.44 O=CC1=CC=C2CCNC2=C1 1354AJ [0,0,0,1,0,0|3,0,0]=4 44 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 CC1=CN=C(CCl)C=C1 1952AC [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [2,0,0,0,0,0|1,0,0]=3 50 B9R1.1 COC1=NC=C(C)N=C1 2866AB [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 CCCC1=CN=CC=C1 6392AB [2,0,0,0,0,0|1,0,0]=3 52 B11R1.1 CCCOC1=CC=C(N)C=C1 2814AL [1,1,0,0,0,0|1,0,0]=3 53 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 9182AF [1,1,0,0,0,0|0,0,2]=4 54 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 1424AL [1,1,0,0,0,0|1,0,0]=3 55 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 Y9701 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 X9183 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 7791AL [1,1,0,0,0,0|1,0,1]=4 58 B11R1.81 CCOC1=CC=C(C)N=C1F Y3506 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.81 CCOC1=CC=C(Cl)C=C1Cl Z0674 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.192 CC1=C(C)C=C(CC#N)C=C1 3137AB [1,1,0,0,0,0|1,0,1]=4 61 B11R1.192 CCNC1=CC(F)=C(C)C=C1 3960AE [1,1,0,0,0,0|1,0,0]=3 62 B11R1.192 COCC1=CC=C(Br)C(C)=C1 Z0252 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.192 COCC1=CC=C(Cl)C(Br)=C1 Y3635 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.3 COC1=CC=C(C(=N)N)C=C1 1267AB [1,1,0,0,0,0|1,0,1]=4 65 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 W5767 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.279 CSC1=CC=C(CO)C=C1F Z0430 [1,1,0,0,0,0|1,1,0]=4 67 B13R1.5 CCC(=O)OC1=CC=C(OC)C=C1 5690AF [0,2,0,0,0,0|0,0,1]=3 68 B13R1.142 CC(C)OC1=CC=C(CCN)C=C1 4863AJ [0,2,0,0,0,0|1,0,0]=3 69 B13R1.585 CC(C)CC1=CC=C([C@H](C)N)C=C1 8396AH [0,2,0,0,0,0|1,0,0]=3 70 B13R1.95 COC1=CC(Cl)=C(C(=O)CCl)C=C1 9946AL [0,2,0,0,0,0|1,0,1]=4 71 B13R1.139 CCC(C)C1=CC=C(N=C=O)C=C1 4166AE [0,2,0,0,0,0|1,0,1]=4 72 B13R1.187 CCC(C)(C)C1=CC=C(CCl)C=C1 V0786 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.3 COC1=CC=C(CCC(=O)Cl)C=C1 L366 [0,2,0,0,0,0|0,0,1]=3 74 B13R1.3 COC1=CC=C(CC[N+](=O)[O-])C=C1 Y6171 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 1869AE [0,2,0,0,0,0|1,0,1]=4 76 B13R1.371 C#CC1=CC=C(OCCCC)C=C1 Q124 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.371 CCCCCC1=CC=C(C#N)C=C1 Y6844 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.140 CS(=O)(=O)C1=CC=C(CCN)C=C1 5393AJ [0,2,0,0,0,0|1,1,0]=4 79 B13R1.1249 COC1=CC=C(CON)C(OC)=C1 0993AB [0,2,0,0,0,0|2,0,0]=4 80 B13R1.2901 COC1=C(C)C=C(CNN)C(C)=C1 2082AF [0,2,0,0,0,0|2,0,0]=4 81 B13R2.57 COC1=CC2=C(C=C1)OCCN2 6249AE [0,1,0,1,0,0|1,0,0]=3 82 B13R2.669 COC1=CC=C2OCC(N)C2=C1 2933AL [0,1,0,1,0,0|1,0,0]=3 83 B13R2.60 CCOC1=NC=C(C2CC2)C=C1 Z1561 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.449 O=C=NC1=CC2=C(C=C1)CCC2 X2981 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.21 COC1=CC=C(OC)O1 9364AJ [1,0,0,0,1,0|2,0,0]=4