0 B9R1.11 CCC(N)C1=CC=CS1 7066AE [0,0,0,0,0,0|2,1,1]=4 1 B9R1.11 COC(=O)C1=CON=C1 4175AJ [0,0,0,0,0,0|3,0,0]=3 2 B9R1.11 COC(=O)C1=NCCC1 8402AB [0,0,0,0,0,0|1,0,3]=4 3 B9R1.11 COC(=O)C1CSC=N1 B236 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [0,0,0,0,0,0|3,0,0]=3 5 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,0,0,0,0,0|3,1,0]=4 7 B9R1.11 NNC(=O)C1=NC=CO1 7606AH [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 CC(=O)C1=CC=NN1 9154AA [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 CC(O)C1=CC=CS1 2224AC [1,0,0,0,0,0|0,1,2]=4 10 B8R1.7 O=C(O)C1=NN=CO1 6208AC [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [1,0,0,0,0,0|1,0,1]=3 12 B8R1.7 OB(O)C1=NC=CO1 4717AC [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 CNCC1=CC=CO1 6487AB [1,0,0,0,0,0|1,0,1]=3 14 B10R1.11 O=C(N=C=S)C1=CC=CO1 9963AE [0,1,0,0,0,0|1,0,1]=3 15 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,1,0,0,0,0|1,1,0]=3 16 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [0,1,0,0,0,0|0,0,0]=1 17 B10R1.14 COC(=O)C1=CN=C(N)[Se]1 Z2510 [0,1,0,0,0,0|1,1,0]=3 18 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,1,0,0,0,0|1,1,0]=3 19 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 Z2026 [0,1,0,0,0,0|1,0,2]=4 20 B10R1.23 CC(N)C(=O)C1=CC=CS1 0930AC [0,1,0,0,0,0|1,1,0]=3 21 B10R1.23 O=C(O)C(=O)C1=CC=CO1 Y3293 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.149 COC(=O)C1=CNN=C1I 5284AA [0,1,0,0,0,0|3,0,0]=4 23 B10R1.149 COC(=O)C1OCCC1=O 6935AC [0,1,0,0,0,0|0,0,3]=4 24 B8R0.3 C=CC[C@@H](N)C(=O)OC 8970AH [0,0,1,0,0,0|1,0,2]=4 25 B8R0.6 C\C=C\C=C\C(=O)OC 8249AL [0,0,1,0,0,0|1,0,0]=2 26 B10R2.32 [C@@H]12C=CCN1C(=O)OC2 5840AE [0,0,0,1,0,0|2,0,1]=4 27 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [0,0,0,0,0,1|2,0,0]=3 28 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [0,0,0,0,0,1|2,1,0]=4 29 B10R1.15 CSC(=N)C1=CC=NC=C1 0163AD [0,0,0,0,0,1|2,1,0]=4 30 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [0,0,0,0,0,1|2,1,0]=4 31 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.15 NNC(=O)C1=NN=CC=C1 4805AC [0,0,0,0,0,1|3,0,0]=4 33 B7R0.3 C=CCOC(=O)CC 7475AF [1,0,1,0,0,0|1,0,1]=4 34 B7R0.3 CCC(=O)\C=C\C=O Z6191 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.3 CC\C=C\C(=O)OC Y2122 [1,0,1,0,0,0|0,0,2]=4 36 B7R0.3 COC(=O)\C=C\C=O 1381AC [1,0,1,0,0,0|0,0,1]=3 37 B7R0.10 COC(=O)\C(C)=C\Br 1158AL [1,0,1,0,0,0|1,0,1]=4 38 B7R1.1 CNC1=CC=CS1 1494AC [2,0,0,0,0,0|1,1,0]=4 39 B7R1.1 COC1=CC=CN1 Y1596 [2,0,0,0,0,0|1,0,0]=3 40 B7R1.1 COC1=COC=C1 W1886 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.1 COC1=NSC=C1 Z1859 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.1 ClCC1=CC=CO1 Z5545 [2,0,0,0,0,0|1,0,1]=4 43 B7R1.1 O=CC1=CC=NO1 8334AA [2,0,0,0,0,0|1,0,0]=3 44 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [1,1,0,0,0,0|1,1,0]=4 45 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.35 NC1=NN=C(C(=O)O)O1 4279AE [1,1,0,0,0,0|2,0,0]=4 48 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [1,1,0,0,0,0|0,1,0]=3 50 B9R1.41 CC1=C([N+](=O)[O-])OC=C1 Z5516 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [1,1,0,0,0,0|2,0,0]=4 53 B9R1.41 [O-]B(O)C1=C(Br)C=CO1 Y2493 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.12 S=COCC1=CC=CO1 M512 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [0,1,0,0,0,1|2,0,0]=4 56 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [0,1,0,0,0,1|2,0,0]=4 57 B11R1.15 CCOC(=O)C1=CC(N)=NO1 0438AB [0,2,0,0,0,0|1,0,0]=3 58 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 1498AC [0,2,0,0,0,0|1,0,0]=3 59 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 X0326 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 Z6262 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.15 CCOC(=O)C1=CSC(N)=C1 6712AH [0,2,0,0,0,0|2,0,0]=4 62 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 3207AB [0,2,0,0,0,0|1,1,0]=4 63 B11R1.225 COC(=O)C1=C(C)OC(Br)=C1 4184AB [0,2,0,0,0,0|2,0,0]=4 64 B11R2.36 O=C1CCN2C=CC=C2C1 X7975 [0,0,0,1,0,1|2,0,0]=4 65 B11R2.2 C1=COC(C2=NCCN2)=C1 2536AE [0,1,0,1,0,0|2,0,0]=4 66 B11R2.202 NC1CC(=O)C2=C1C=CS2 8443AC [0,1,0,1,0,0|1,1,0]=4 67 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [1,0,0,0,0,1|1,0,0]=3 68 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [1,0,0,0,0,1|2,0,0]=4 69 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [1,0,0,0,0,1|2,0,0]=4 70 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [1,0,0,0,0,1|1,0,0]=3 71 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [1,0,0,0,0,1|1,0,0]=3 72 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [1,0,0,0,0,1|1,0,1]=4 73 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [1,0,0,0,0,1|1,0,1]=4 74 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [1,0,0,0,0,1|1,0,1]=4 75 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [1,0,0,0,0,1|1,0,1]=4 76 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,0,0,0,0,1|2,0,0]=4 77 B11R1.25 COC(=O)\C=C\C1=CNC=C1 6804AC [0,0,0,0,0,2|2,0,0]=4