0 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.28 C#CCCCC1=CC=CC=C1 1900-1-Y0 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 ClCCNCC1=CC=CC=C1 3731-5-X5 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.28 NCCOCC1=CC=CC=C1 4756-5-X8 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 O=C=NCCC1=CC=CC=C1 4649-1-X7 [0,0,0,0,0,0|0,1,0]=1 6 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [0,0,0,0,0,0|1,1,1]=3 7 B11R1.28 OCCNCC1=CC=CC=C1 4656-1-71 [0,0,0,0,0,0|2,1,1]=4 8 B11R1.28 S=C=NCCC1=CC=CC=C1 7768-1-37 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.17 BrCCOC1=CC=CC=C1 2607-9-X6 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.17 COCSC1=CC=CC=C1 6666-1-0Q [1,0,0,0,0,0|2,0,1]=4 14 B10R1.17 ClCCSC1=CC=CC=C1 5666-5-04 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 N#CCNC1=CC=CC=C1 3637-1-0H [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 N#CCSC1=CC=CC=C1 7666-1-W9 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.17 NCCOC1=CC=CC=C1 4656-1-Y0 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.17 OCCCC1=CC=CC=N1 4H56-1-LM [1,0,0,0,0,0|1,1,1]=4 20 B10R1.17 OCCOC1=CC=CC=C1 2607-1-06 [1,0,0,0,0,0|1,1,1]=4 21 B10R1.17 S=C=NCC1=CC=CC=C1 7768-1-X2 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.17 S=C=NCC1=CC=CN=C1 7H68-9-01 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.1 CC1=CC=C(CCN=C=S)C=C1 7768-1-31 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.1 CCCCCC1=CC=C(Br)C=C1 1700-9-W7 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 1700-5-57 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.1 CCCCCC1=CC=C(F)C=C1 1700-3-45 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.1 CCCCCC1=CC=C(I)C=C1 1700-H-04 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.1 S=C=NCCC1=CC=C(Cl)C=C1 7768-5-12 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.8 BrCCCCCC1=CC=CC=C1 1700-9-09 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.8 BrCCCOCC1=CC=CC=C1 2707-9-13 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.8 C=CCCNCC1=CC=CC=C1 3931-1-X1 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.8 CNCCCCC1=CC=CC=C1 3632-5-X2 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.8 S=C=NCCCC1=CC=CC=C1 7768-1-41 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.28 O=C=N\C=C\C1=CC(F)=CC=C1 4949-3-00 [0,1,0,0,0,0|0,1,2]=4 36 B12R1.252 NC(=S)NCCC1=CC=CC=C1 7767-1-31 [0,1,0,0,0,0|0,0,2]=3 37 B12R1.252 O=C(O)CCCC1=CC=CC=C1 2621-1-X9 [0,1,0,0,0,0|1,1,1]=4 38 B12R2.1 O\N=C1\CCC2=CC=CC=C21 4747-1-X2 [0,0,0,1,0,0|2,1,0]=4 39 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P911-A-43 [0,0,0,1,0,0|2,0,1]=4 40 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 3730-1-S1 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.1081 O=C1CCCC2=C1C=CC=C2 2717-1-03 [0,0,0,1,0,0|1,1,1]=4 42 B12R2.1081 O=C1NCCC2=CC=CC=C12 4H48-1-KU [0,0,0,1,0,0|0,1,2]=4 43 B12R2.1081 O=C1OCCC2=CC=CC=C12 2H25-1-2D [0,0,0,1,0,0|1,1,1]=4 44 B12R2.1081 OC1CCCC2=CC=CC=C21 2702-1-00 [0,0,0,1,0,0|1,1,1]=4 45 B10R1.21 O=C=NCCC1=CC=CS1 8H49-1-00 [0,0,0,0,1,0|1,1,0]=3 46 B9R1.8 BrCCC1=CC=CC=C1 1700-9-47 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 CCCC1=CC=NC=C1 3H32-1-Z1 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.8 CNCC1=CC=CC=C1 3631-1-X0 [2,0,0,0,0,0|0,0,2]=4 49 B9R1.8 ClCCC1=CC=CC=N1 3H32-5-CX [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 N#CCC1=CC=CC=C1 3737-1-01 [2,0,0,0,0,0|0,0,2]=4 51 B9R1.8 NCCC1=CC=CC=C1 3630-1-17 [2,0,0,0,0,0|0,0,1]=3 52 B9R1.8 NCCC1=CC=CN=C1 3H30-1-QN [2,0,0,0,0,0|1,0,1]=4 53 B9R1.8 NCCC1=CC=NC=C1 3H30-1-V2 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.8 NOCC1=CC=CC=C1 4647-5-01 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.8 OCCC1=CC=CC=C1 2601-1-0U [2,0,0,0,0,0|0,1,0]=3 56 B9R1.8 OCCC1=CC=NC=C1 4H01-1-Z0 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.8 ONCC1=CC=CC=C1 4647-5-23 [2,0,0,0,0,0|0,1,1]=4 58 B9R1.8 O\N=C\C1=CC=CC=C1 4647-1-X3 [2,0,0,0,0,0|0,1,1]=4 59 B9R1.8 S=C=NC1=CC=CC=C1 7668-1-X1 [2,0,0,0,0,0|0,0,0]=2 60 B9R1.8 S=C=NC1=CC=CN=C1 7H68-1-X0 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.8 SCCC1=CC=CC=C1 5661-1-05 [2,0,0,0,0,0|0,0,1]=3 62 B11R1.1 C=CCCC1=CC=C(F)C=C1 1900-3-44 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.1 CC1=CC=C(CN=C=S)C=C1 7768-1-24 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.1 CCCCC1=CC=C(Br)C=C1 1700-9-W8 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.1 FC1=CC=C(CN=C=S)C=C1 7668-3-14 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.1 N#CCCC1=CC=C(Br)C=C1 3637-9-X9 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 3737-5-06 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.1 N#CCCC1=CC=C(O)C=C1 4637-1-X2 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.1 OCCCC1=CC=C(Br)C=C1 2601-9-11 [1,1,0,0,0,0|0,1,1]=4 70 B11R1.1 OCCCC1=CC=C(Cl)C=C1 2701-5-X5 [1,1,0,0,0,0|0,1,1]=4 71 B11R1.1 S=C=NCC1=CC=C(Cl)C=C1 7768-5-01 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.16 CC(N=C=S)C1=CC=CC=C1 7768-1-26 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 7768-1-25 [1,1,0,0,0,0|0,0,0]=2 74 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 4649-1-05 [1,1,0,0,0,0|0,1,0]=3 75 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 7768-1-27 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.16 N#CCC(O)C1=CC=CC=C1 4637-1-X0 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 8667-1-09 [1,1,0,0,0,0|0,0,1]=3 78 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 2602-5-04 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.17 CC1=CC=CC=C1CN=C=S 7768-1-22 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.17 FC1=C(CN=C=S)C=CC=C1 7668-3-X3 [1,1,0,0,0,0|0,0,0]=2 81 B11R1.17 N#CCCC1=CC=CC=C1Cl 3737-5-05 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.17 S=C=NCC1=CC=CC=C1Cl 7768-5-02 [1,1,0,0,0,0|0,0,0]=2 83 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 1900-5-X4 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.24 CC1=CC=CC(CN=C=S)=C1 7768-1-23 [1,1,0,0,0,0|0,0,0]=2 85 B11R1.24 FC1=CC=CC(CN=C=S)=C1 7668-3-13 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.24 N#CCCC1=CC(Br)=CC=C1 3637-9-Y0 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.24 S=C=NCC1=CC(Cl)=CC=C1 7768-5-03 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 4756-1-53 [1,1,0,0,0,0|0,1,1]=4 89 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [1,1,0,0,0,0|0,1,1]=4 91 B11R1.91 NC(=S)NCC1=CC=CC=C1 7767-1-06 [1,1,0,0,0,0|0,0,2]=4 92 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 2616-5-13 [1,1,0,0,0,0|0,1,1]=4 93 B11R1.91 O=C(O)CCC1=CC=CC=C1 2721-1-01 [1,1,0,0,0,0|0,1,1]=4 94 B11R1.91 OB(O)CCC1=CC=CC=C1 6760-1-W3 [1,1,0,0,0,0|1,1,0]=4 95 B13R1.28 S=C=NCCCCC1=CC=CC=C1 7768-1-X3 [0,2,0,0,0,0|0,0,0]=2 96 B13R1.42 O=C(\C=C\C1=CC=CC=C1)N=C=S 8968-1-01 [0,2,0,0,0,0|0,0,2]=4 97 B13R1.337 NC(=S)NCCCC1=CC=CC=C1 7767-1-32 [0,2,0,0,0,0|0,0,2]=4 98 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 7767-1-30 [0,2,0,0,0,0|0,0,2]=4 99 B11R2.1 NC1CCC2=CC=CC=C21 3630-5-X0 [1,0,0,1,0,0|1,0,1]=4 100 B11R2.1 NC1CCC2=CC=CC=C21 3730-1-47 [1,0,0,1,0,0|1,0,1]=4 101 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 3730-5-Z1 [1,0,0,1,0,0|1,0,1]=4 102 B11R2.1 O=C1CCC2=C1C=CC=C2 2717-1-01 [1,0,0,1,0,0|0,1,1]=4 103 B11R2.1 OC1CCC2=CC=CC=C21 2701-1-05 [1,0,0,1,0,0|0,1,1]=4 104 B11R2.20 C1=CC=C2CNCCC2=C1 3H31-1-X4 [1,0,0,1,0,0|0,0,2]=4 105 B11R2.20 C1=CC=C2COCCC2=C1 2H10-1-X8 [1,0,0,1,0,0|1,0,1]=4 106 B11R2.20 C1=CC=C2NCCCC2=C1 3H31-1-P9 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.12 S=C=NCC1=CC=CO1 8H68-1-01 [1,0,0,0,1,0|1,0,0]=3