0 B7R0.4 CCCC=C[N+](=O)[O-] 9974AL [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 C\C=C\COC(C)=O 7476AF [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 CC\C=C\C(C)=O Y8265 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.4 O=CNCC(=O)O Y4936 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.5 CCN\C(C)=C\C(C)=O 8145AJ [0,1,0,0,0,0|2,0,1]=4 5 B8R0.6 C\C=C\C=C\C(=O)OC 8249AL [0,1,0,0,0,0|0,0,0]=1 6 B8R0.28 CC(C)C\C=C\C(=O)O 0195AP [0,1,0,0,0,0|0,0,2]=3 7 B8R0.28 CN(C)C\C=C\C(=O)O 4625AF [0,1,0,0,0,0|1,0,1]=3 8 B8R1.1 CSC1=CC=C(Br)S1 Z0912 [0,0,0,1,0,0|2,1,0]=4 9 B8R1.4 CC1=CC(Br)=CC=N1 2699AJ [0,0,0,1,0,0|3,0,0]=4 10 B8R1.4 FC1=CC=CC(F)=N1 9031AJ [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 NC1=CC=NC(=O)N1 9012AB [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 NC1=NC(=O)C=CN1 5499AL [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 OC1=CC=CC(O)=C1 O780 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.4 OC1=CC=CC(O)=N1 5119AF [0,0,0,1,0,0|2,0,0]=3 15 B8R1.7 CC(=O)C1=CC=NN1 9154AA [0,0,0,1,0,0|3,0,0]=4 16 B8R1.7 CC(O)C1=CC=CS1 2224AC [0,0,0,1,0,0|2,0,1]=4 17 B8R1.7 O=C(O)C1=NN=CO1 6208AC [0,0,0,1,0,0|3,0,0]=4 18 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [0,0,0,1,0,0|2,0,1]=4 19 B5R0.1 C\C=C/B(O)O X0977 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.2 C=C\C=C\C=O Y1559 [2,0,0,0,0,0|0,0,0]=2 21 B5R0.2 C=C\C=C\CC 4582AL [2,0,0,0,0,0|0,0,1]=3 22 B7R0.2 C=CC(=O)C=C(C)C 5582AA [1,1,0,0,0,0|2,0,0]=4 23 B7R0.3 CCC(=O)\C=C\C=O Z6191 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.3 CC\C=C\C(=O)OC Y2122 [1,1,0,0,0,0|0,0,1]=3 25 B7R0.3 COC(=O)\C=C\C=O 1381AC [1,1,0,0,0,0|1,0,0]=3 26 B7R0.6 NC(=O)\C=C/C(N)=O 8173AL [1,1,0,0,0,0|2,0,0]=4 27 B7R0.6 O=C(O)\C=C/C(=O)O O758 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7135AF [1,1,0,0,0,0|1,0,1]=4 29 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7138AF [1,1,0,0,0,0|1,0,1]=4 30 B7R0.6 O=C([O-])\C=C/C(=O)[O-] 7139AF [1,1,0,0,0,0|1,0,1]=4 31 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.2 CCCCC\C=C\C(=O)O 7944AF [0,2,0,0,0,0|0,0,2]=4 33 B9R0.2 CCC\C=C/CCC(=O)O Z6190 [0,2,0,0,0,0|0,0,2]=4 34 B9R0.48 CCOC(=O)\C=C\C(=O)Cl V0861 [0,2,0,0,0,0|1,0,1]=4 35 B7R1.2 C=C1C=CC(=O)O1 1661AA [1,0,0,1,0,0|0,0,0]=2 36 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.3 ClC1=NC=CC=C1 7352AF [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 FC1=NC=CC=C1 7353AF [1,0,0,1,0,0|2,0,0]=4 39 B7R1.3 NC1=CC=CC=C1 2738AC [1,0,0,1,0,0|2,0,0]=4 40 B7R1.3 NC1=CC=CC=C1 5126AF [1,0,0,1,0,0|2,0,0]=4 41 B7R1.3 O=C1N=CC=CN1 9421AJ [1,0,0,1,0,0|2,0,0]=4 42 B7R1.3 OC1=CC=CC=C1 8781AL [1,0,0,1,0,0|1,0,0]=3 43 B7R1.1 CNC1=CC=CS1 1494AC [1,0,0,1,0,0|1,1,0]=4 44 B7R1.1 COC1=CC=CN1 Y1596 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.1 ClCC1=CC=CO1 Z5545 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.1 O=CC1=CC=NO1 8334AA [1,0,0,1,0,0|2,0,0]=4 47 B7R1.4 CC1=C(Br)OC=C1 Z5551 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.4 CC1=C(C)SC=C1 Z5548 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.24 C1=CCCCC=C1 5492AB [1,0,0,1,0,0|1,0,1]=4 50 B9R1.7 O=C1CC=C(CCO)O1 3979AC [0,1,0,1,0,0|0,0,2]=4 51 B9R1.22 C\C=C1/NC(=O)NC1=O Z2173 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.34 CC1=CC(C)=NC(C)=C1 8913AL [0,1,0,1,0,0|2,0,0]=4 53 B9R1.34 CC1=CC(C)=NC(O)=N1 7685AF [0,1,0,1,0,0|2,0,0]=4 54 B9R1.34 CC1=CC(F)=NC(O)=C1 X2037 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.34 CC1=CC(I)=CC(C)=N1 2841AJ [0,1,0,1,0,0|2,0,0]=4 56 B9R1.34 CC1=CC(O)=CC(=O)N1 7748AJ [0,1,0,1,0,0|1,0,0]=3 57 B9R1.34 CC1=CC(O)=CC(F)=N1 X2038 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,1,0,1,0,0|2,0,0]=4 59 B9R1.41 CC(=O)C1=CNN=C1C X5410 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.41 CC1=C([N+](=O)[O-])OC=C1 Z5516 [0,1,0,1,0,0|1,0,1]=4 61 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [0,1,0,1,0,0|1,0,0]=3 63 B9R1.41 O=C(O)C1=CSN=C1Cl 5806AC [0,1,0,1,0,0|2,0,0]=4 64 B9R1.2 CC1=CC(NN)=CC=C1 7665AB [0,1,0,1,0,0|2,0,0]=4 65 B9R1.2 CNC1=NC(=O)NC=C1 Z2895 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [0,1,0,1,0,0|2,0,0]=4 67 B9R1.2 NCC1=CC(=O)NC=C1 5769AA [0,1,0,1,0,0|2,0,0]=4 68 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.3 CC1=C(O)C(N)=NC=C1 X3220 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.3 CC1=NC=CC(Br)=C1O 4340AA [0,1,0,1,0,0|2,0,0]=4 71 B9R1.3 OC1=C(Cl)C(Cl)=CC=C1 7597AF [0,1,0,1,0,0|2,0,0]=4 72 B9R1.3 OC1=C(Cl)C=CC=C1Cl 7599AF [0,1,0,1,0,0|2,0,0]=4 73 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [0,1,0,1,0,0|2,0,0]=4 74 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [0,1,0,1,0,0|2,0,0]=4 75 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,1,0,1,0,0|2,0,0]=4 76 B9R1.21 COC1=CC=C(OC)O1 9364AJ [0,1,0,1,0,0|1,0,1]=4 77 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [0,1,0,1,0,0|1,0,1]=4 78 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [0,1,0,1,0,0|1,0,1]=4 79 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [0,1,0,1,0,0|0,0,1]=3 80 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [0,1,0,1,0,0|0,0,1]=3 81 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [0,1,0,1,0,0|0,0,2]=4 82 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [0,1,0,1,0,0|0,0,2]=4 83 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [0,1,0,1,0,0|0,0,2]=4 84 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [0,1,0,1,0,0|0,0,2]=4 85 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Z2011 [0,1,0,1,0,0|0,0,2]=4 89 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.69 CC1=CC=C(C)C(C)=N1 7915AF [0,1,0,1,0,0|2,0,0]=4 91 B9R1.69 CC1=CC=C(F)N=C1C Y3886 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.69 CC1=CC=C(N)C=C1O I725 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.69 NC1=CC=C(I)C=C1O 7023AC [0,1,0,1,0,0|2,0,0]=4 94 B9R1.69 NC1=CC=C(O)C(O)=C1 5570AA [0,1,0,1,0,0|2,0,0]=4 95 B9R1.69 O=C1NC(O)=CC=C1Cl 0905AA [0,1,0,1,0,0|2,0,0]=4 96 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 7598AF [0,1,0,1,0,0|2,0,0]=4 97 B9R1.69 OC1=CC(I)=C(I)C=C1 4595AA [0,1,0,1,0,0|2,0,0]=4