0 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.28 C#CCCCC1=CC=CC=C1 1900-1-Y0 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 ClCCNCC1=CC=CC=C1 3731-5-X5 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.28 NCCOCC1=CC=CC=C1 4756-5-X8 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.28 NCCSSC1=CC=CC=N1 7H66-5-1D [0,0,0,0,0,0|3,0,0]=3 6 B11R1.28 O=C=NCCC1=CC=CC=C1 4649-1-X7 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.28 OCCNCC1=CC=CC=C1 4656-1-71 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.28 S=C=NCCC1=CC=CC=C1 7768-1-37 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 BrCCOC1=CC=CC=C1 2607-9-X6 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 CCNCC1=CC=CC=N1 3H31-1-3M [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.17 COCSC1=CC=CC=C1 6666-1-0Q [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 ClCCSC1=CC=CC=C1 5666-5-04 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 NCCNC1=CC=CC=N1 3H31-5-17 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 NCCOC1=CC=CC=C1 4656-1-Y0 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 OCC#CC1=CC=CC=N1 4H56-1-0G6 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.17 OCCCC1=CC=CC=N1 4H56-1-LM [1,0,0,0,0,0|1,0,0]=2 22 B10R1.17 OCCNC1=CC=CC=N1 4H56-1-FB [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 OCCNC1=CC=CC=N1 4H56-5-20 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 OCCOC1=CC=CC=C1 2607-1-06 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.1 BrCCCOC1=CC=C(Br)C=C1 2607-9-25 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.1 CCCCCC1=CC=C(Br)C=C1 1700-9-W7 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 1700-5-57 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.1 CCCCCC1=CC=C(F)C=C1 1700-3-45 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.1 CCCCCC1=CC=C(I)C=C1 1700-H-04 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.1 CCCCOC1=CC=C(N)C=C1 4630-1-08 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.1 COCCOC1=CC=C(O)C=C1 2608-1-0V [0,1,0,0,0,0|3,0,0]=4 32 B12R1.1 NCCSCC1=CC=C(F)C=C1 7666-3-02 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.1 NCCSCC1=CC=C(F)C=C1 7666-7-01 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.8 BrCCCCCC1=CC=CC=C1 1700-9-09 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.8 BrCCCOCC1=CC=CC=C1 2707-9-13 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.8 C=CCCNCC1=CC=CC=C1 3931-1-X1 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.8 CNCCCCC1=CC=CC=C1 3632-5-X2 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.8 S=C=NCCCC1=CC=CC=C1 7768-1-41 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.27 CC(CO)NCC1=CC=CC=C1 4656-1-AA [0,1,0,0,0,0|3,0,0]=4 40 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.28 CC1=CC=CC(CSCCN)=C1 7766-5-03 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.28 NCCSCC1=CC=CC(Cl)=C1 7766-5-02 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.30 CCCCC(=O)C1=CC=CC=C1 2617-1-15 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.32 CCOC(=O)CC1=CC=CC=C1 2723-1-01 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.32 CN(CCN)CC1=CC=CC=C1 3732-1-03 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 2607-1-S4 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.252 O=C(O)CCCC1=CC=CC=C1 2621-1-X9 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.267 CCCCCC1=NC=NC=C1Br 3H32-9-Z8 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.267 NCCSCC1=CC=CC=C1Cl 7766-1-X0 [0,1,0,0,0,0|3,0,0]=4 50 B10R0.71 CCCCC\C=C\CCC=O 2315-1-X1 [0,0,1,0,0,0|1,0,2]=4 51 B12R2.2 C1=CC(C2CCCN2)=CC=N1 3H31-1-XE [0,0,0,1,0,0|3,0,0]=4 52 B12R2.2 C1=CC(N2CCCC2)=CC=N1 3H32-1-U9 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P911-A-43 [0,0,0,1,0,0|2,0,0]=3 54 B12R2.2 C1=CC=C(C2CCCN2)N=C1 3H32-1-Q0 [0,0,0,1,0,0|1,0,0]=2 55 B12R2.2 C1=CC=C(C2NCCS2)C=C1 7H70-1-Y2 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.2 C1=CN=CC(C2CCCN2)=C1 3H31-1-Z4 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.41 C1=CC=C2NCCNCC2=C1 3H31-1-14 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.1081 NC1CCOC2=CC=CC=C21 4H30-1-9B [0,0,0,1,0,0|3,0,0]=4 59 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 3730-1-S1 [0,0,0,1,0,0|2,0,0]=3 60 B12R2.1081 O=C1CCCC2=C1C=CC=C2 2717-1-03 [0,0,0,1,0,0|2,0,1]=4 61 B12R2.1081 OC1CCCC2=C1N=CC=C2 4H01-1-CP [0,0,0,1,0,0|3,0,0]=4 62 B12R2.1081 OC1CCCC2=CC=CC=C21 2702-1-00 [0,0,0,1,0,0|2,0,0]=3 63 B12R2.1081 OC1CCOC2=CC=CC=C21 2H02-1-07 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 3731-1-03 [0,0,0,1,0,0|2,0,0]=3 65 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4H56-1-MQ [0,0,0,1,0,0|3,0,0]=4 66 B9R1.8 BrCCC1=CC=CC=C1 1700-9-47 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 CCCC1=CC=NC=C1 3H32-1-Z1 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.8 CNCC1=CC=CC=C1 3631-1-X0 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.8 CNCC1=CC=CC=N1 3H31-1-8T [2,0,0,0,0,0|1,0,0]=3 70 B9R1.8 COCC1=CC=CC=N1 4H07-1-Y1 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.8 ClCCC1=CC=CC=N1 3H32-5-CX [2,0,0,0,0,0|1,0,0]=3 72 B9R1.8 N#CCC1=CC=CC=N1 3H37-1-M2 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.8 NCCC1=CC=CC=C1 3630-1-17 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 OCCC1=CC=CC=C1 2601-1-0U [2,0,0,0,0,0|2,0,0]=4 75 B9R1.8 SCCC1=CC=CC=C1 5661-1-05 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.1 CCCCC1=CC=C(Br)C=C1 1700-9-W8 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.1 OCCCC1=CC=C(Br)C=C1 2601-9-11 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.1 OCCCC1=CC=C(Cl)C=C1 2701-5-X5 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.16 CCOC(=O)C1=CC=CC=N1 4H23-1-1N [1,1,0,0,0,0|1,0,1]=4 80 B11R1.16 CN(CCO)C1=CC=CC=N1 4H32-1-13 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 2602-5-04 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.24 CC1=CC=CC(CCCO)=N1 4H56-1-893 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.24 CCCNC1=CC(Cl)=NC=N1 3H31-5-Y7 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.24 CCCNC1=CC=CC(Br)=N1 3H33-D-0A [1,1,0,0,0,0|1,0,0]=3 85 B11R1.24 CCCOC1=CN=CC(C)=N1 4H56-1-413 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.40 COC(=O)CC1=CC=CC=N1 4H23-1-DA [1,1,0,0,0,0|1,0,1]=4 87 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 4756-1-53 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.91 CN(C)CCC1=CC=CC=N1 3H32-1-N6 [1,1,0,0,0,0|1,0,0]=3 91 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 1700-9-X3 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.9 CCCCCCC1=CC=C(N)C=C1 3730-1-Z6 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 2617-9-02 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 2617-5-Z1 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.17 CCCNC(=O)C1=CC=C(Br)C=N1 4H48-9-W5 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.371 C#CC1=CC=C(CCCCC)C=C1 1900-1-Y5 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.371 CCCCCC1=CC=C(C#N)C=C1 3737-1-Y1 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.371 COC1=CC=C(CCCCO)C=C1 2707-1-12 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.513 CN(C)CCCC1=CC=C(N)C=C1 3732-1-X8 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.28 BrCCCCCCC1=CC=CC=C1 1700-9-Z3 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.28 S=C=NCCCCC1=CC=CC=C1 7768-1-X3 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.555 CCCCCCC1=NC=NC=C1Br 3H32-9-W3 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.718 CC(CO)COCC1=CC=CC=C1 2707-1-09 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.718 OCC(O)COCC1=CC=CC=C1 2707-1-16 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.417 CCN(CC)CCC1=CC=CC=N1 3H32-1-98 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.16 CCCCOC1=CC=CC(F)=C1F 2607-3-46 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.55 CCCCCC1=CC(O)=CC(O)=C1 2704-1-0G [0,2,0,0,0,0|1,0,0]=3 108 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 2617-1-0Y [0,2,0,0,0,0|1,0,1]=4 109 B11R2.1 NC1CCC2=CC=CC=C21 3630-5-X0 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.1 NC1CCC2=CC=CC=C21 3730-1-47 [1,0,0,1,0,0|2,0,0]=4 111 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 3730-5-Z1 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.1 OC1CCC2=CC=CC=C21 2701-1-05 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.20 C1=CC=C2CNCCC2=C1 3H31-1-X4 [1,0,0,1,0,0|2,0,0]=4 114 B11R2.20 C1=CC=C2COCCC2=C1 2H10-1-X8 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.20 C1=CC=C2NCCCC2=C1 3H31-1-P9 [1,0,0,1,0,0|2,0,0]=4 116 B11R2.238 C1=CC=C(SC2CC2)C=C1 5666-1-X1 [1,0,0,1,0,0|2,0,0]=4 117 B11R2.2 C1=COC(C2CCCN2)=C1 4H56-1-G3 [0,0,0,1,1,0|2,0,0]=4 118 B11R2.2 C1=CSC(C2CCCN2)=C1 7H70-1-Z7 [0,0,0,1,1,0|2,0,0]=4 119 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 3H31-9-16 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.12 BrC1=CC=C(N2CCCC2)C=C1 3H32-9-BU [0,1,0,1,0,0|2,0,0]=4 121 B13R2.12 BrC1=CC=C(N2CCCC2)N=C1 3H32-9-T8 [0,1,0,1,0,0|1,0,0]=3 122 B13R2.12 BrC1=CN=C(N2CCCC2)N=C1 3H32-9-M2 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 3H31-5-W5 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.12 ClC1=CC=C(N2CCCC2)N=N1 3H32-5-4N [0,1,0,1,0,0|2,0,0]=4 125 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 3H31-3-28 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 3H30-1-F9 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.12 NC1=CC=C(N2CCCC2)N=C1 3H30-1-Z2 [0,1,0,1,0,0|1,0,0]=3 128 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 3H31-1-Z8 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.3 C1=CC(N2CCNCC2)=NC=N1 3H31-5-7E [0,1,0,1,0,0|2,0,0]=4 130 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 1700-1-X5 [0,1,0,1,0,0|1,0,0]=3 131 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 P612-A-34 [0,1,0,1,0,0|1,0,0]=3 132 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 3H31-1-Y5 [0,1,0,1,0,0|1,0,0]=3 133 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 3631-1-X2 [0,1,0,1,0,0|1,0,0]=3 134 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 3H31-1-T6 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.3 C1=CC=C(C2COCCN2)C=C1 4H56-1-DR [0,1,0,1,0,0|2,0,0]=4 136 B13R2.3 C1=CC=C(N2CCNCC2)N=C1 3H31-1-U4 [0,1,0,1,0,0|1,0,0]=3 137 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 3H31-1-SA [0,1,0,1,0,0|1,0,0]=3 138 B13R2.3 C1=CN=C(N2CCNCC2)N=C1 3H32-1-T8 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.3 C1=NC=C(N2CCNCC2)N=C1 3H32-1-T7 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.64 C1=CN=CC(CC2CCNC2)=C1 3H56-1-X0 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 2609-1-S0 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 2609-1-R0 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 3732-5-01 [0,1,0,1,0,0|1,0,0]=3 144 B13R2.57 OCC1CCC2=CC=CC=C2O1 2H10-1-X6 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.13 BrC1=CC=CC(N2CCCC2)=C1 3H32-9-P7 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.13 BrC1=CC=CC(N2CCCC2)=N1 3H32-9-1L [0,1,0,1,0,0|1,0,0]=3 147 B13R2.13 ClC1=CC(N2CCCC2)=NC=N1 3H32-5-M1 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.13 ClC1=NC(N2CCCC2)=CC=N1 3H32-5-J7 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 3H30-1-Z6 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 4H56-1-LL [0,1,0,1,0,0|2,0,0]=4 151 B13R2.18 BrC1=CN=CN=C1C2CCCC2 3H32-9-W5 [0,1,0,1,0,0|1,0,0]=3 152 B13R2.18 NC1=CC=CC=C1N2CCCC2 3H30-1-4H [0,1,0,1,0,0|2,0,0]=4 153 B9R1.12 CCCCC1=CC=CO1 2H10-1-X2 [1,0,0,0,1,0|1,0,0]=3 154 B9R1.12 CCCCN1C=CN=C1 3H32-1-CJ [1,0,0,0,1,0|2,0,0]=4