0 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 2607-1-S4 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.252 NC(=S)NCCC1=CC=CC=C1 7767-1-31 [0,0,0,0,0,0|2,1,0]=3 2 B12R1.252 O=C(O)CCCC1=CC=CC=C1 2621-1-X9 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 O=C(O)CCCC1=CC=NC=C1 4H21-5-13 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 O=C(O)CCOC1=CC=CC=C1 2621-1-Z8 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 O=C(O)COCC1=CC=CC=C1 2721-1-97 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 2621-1-1R [0,0,0,0,0,0|2,0,2]=4 7 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 C#CCCCC1=CC=CC=C1 1900-1-Y0 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 O=C=NCCC1=CC=CC=C1 4649-1-X7 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.28 S=C=NCCC1=CC=CC=C1 7768-1-37 [1,0,0,0,0,0|1,1,1]=4 13 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 4657-1-RU [0,1,0,0,0,0|3,0,0]=4 14 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 4657-1-SU [0,1,0,0,0,0|3,0,0]=4 15 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 2629-1-33 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 2621-3-6T [0,1,0,0,0,0|3,0,0]=4 17 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 4657-3-62 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 2721-3-18 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.158 O=C(O)CSCC1=CC=CC=C1F 6666-3-27 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 4757-1-31 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 4757-1-32 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 2729-1-00 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 2729-1-00H [0,1,0,0,0,0|2,0,0]=3 24 B13R1.513 CN(C)CCCC1=CC=C(N)C=C1 3732-1-X8 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 2721-9-02 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 2621-5-1D [0,1,0,0,0,0|3,0,0]=4 27 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 2621-3-48 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 6666-3-02 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.718 COC(=O)CNCC1=CC=CC=C1 4656-1-9M [0,1,0,0,0,0|2,0,0]=3 30 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 7767-1-30 [0,1,0,0,0,0|2,1,0]=4 31 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 4H56-1-UC [0,0,0,1,0,0|1,0,1]=3 32 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 4H48-1-FA [0,0,0,1,0,0|1,0,0]=2 33 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 4H56-1-S6 [0,0,0,1,0,0|1,0,0]=2 34 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 G311-A-06 [0,0,0,1,0,0|1,0,0]=2 35 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 4H17-1-0U [0,0,0,1,0,0|1,0,0]=2 36 B13R2.72 O=C(O)C1=CCC2=CC=CC=C21 2921-1-X2 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 2621-1-91 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.91 CC(=O)COC1=CC=CC=C1 2617-1-0W [0,0,0,0,1,0|1,0,0]=2 39 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [0,0,0,0,1,0|1,0,1]=3 40 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [0,0,0,0,1,0|0,0,2]=3 41 B11R1.91 CN(C)CCC1=CC=CC=N1 3H32-1-N6 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.91 N=C(N)COC1=CC=CC=C1 4641-5-X3 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.91 N=C(N)CSC1=CC=CC=C1 7666-5-X5 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.91 NC(=O)COC1=CC=CC=C1 4648-1-17 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.91 NC(=O)OCC1=CC=CC=C1 4756-1-47 [0,0,0,0,1,0|1,0,0]=2 46 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 4648-1-1V [0,0,0,0,1,0|1,0,2]=4 47 B11R1.91 NC(=S)NCC1=CC=CC=C1 7767-1-06 [0,0,0,0,1,0|2,1,0]=4 48 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 2616-5-13 [0,0,0,0,1,0|1,0,0]=2 49 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 2716-5-X4 [0,0,0,0,1,0|1,0,0]=2 50 B11R1.91 O=C(O)CCC1=CC=CC=C1 2721-1-01 [0,0,0,0,1,0|1,0,0]=2 51 B11R1.91 O=C(O)CCC1=CC=CN=C1 4H21-1-XY [0,0,0,0,1,0|2,0,0]=3 52 B11R1.91 O=C(O)CCC1=CC=NC=C1 P612-A-35 [0,0,0,0,1,0|2,0,0]=3 53 B11R1.91 O=C(O)COC1=CC=CC=C1 2621-1-02 [0,0,0,0,1,0|2,0,0]=3 54 B11R1.91 O=C(O)CSC1=CC=NC=C1 8H66-1-W7 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.91 OB(O)CCC1=CC=CC=C1 6760-1-W3 [0,0,0,0,1,0|2,0,1]=4 56 B13R1.337 NC(=S)NCCCC1=CC=CC=C1 7767-1-32 [0,0,0,0,0,1|2,1,0]=4 57 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.17 COCSC1=CC=CC=C1 6666-1-0Q [2,0,0,0,0,0|1,0,0]=3 61 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.17 O=CC#CC1=CC=CC=C1 2915-1-09 [2,0,0,0,0,0|0,0,2]=4 63 B12R1.1 CCCCCC1=CC=C(Br)C=C1 1700-9-W7 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 1700-5-57 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.1 CCCCCC1=CC=C(F)C=C1 1700-3-45 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.1 CCCCCC1=CC=C(I)C=C1 1700-H-04 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.8 BrCCCCCC1=CC=CC=C1 1700-9-09 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.8 C=CCCNCC1=CC=CC=C1 3931-1-X1 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.8 CNCCCCC1=CC=CC=C1 3632-5-X2 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.32 CCOC(=O)CC1=CC=CC=C1 2723-1-01 [1,1,0,0,0,0|0,0,2]=4 72 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 2620-1-X5 [0,1,0,0,1,0|0,0,0]=2 73 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 6666-1-X7 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 6666-5-01 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 6666-3-X3 [0,1,0,0,1,0|1,0,0]=3 76 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 2721-1-42 [0,1,0,0,1,0|1,0,0]=3 77 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 6766-1-X1 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 3632-1-0M [0,1,0,0,1,0|2,0,0]=4 79 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 4653-3-X0 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 4757-1-06 [0,1,0,0,1,0|1,0,0]=3 81 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 2721-9-07 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 2721-5-06 [0,1,0,0,1,0|1,0,0]=3 83 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 2721-3-14 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 2721-H-X2 [0,1,0,0,1,0|1,0,0]=3 85 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 2729-1-X5 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 2621-5-0B [0,1,0,0,1,0|2,0,0]=4 87 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 2621-3-01 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 2921-1-Y6 [0,1,0,0,1,0|1,0,1]=4 89 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 4H57-5-S1 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 4757-1-R0 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 4H57-1-13 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 4H57-5-R1 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 4H57-5-0G [0,1,0,0,1,0|2,0,0]=4 94 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O 4H57-5-0A [0,1,0,0,1,0|2,0,0]=4 95 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O 4H57-1-W7 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O 4H57-1-Y6 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 2618-1-X5 [0,1,0,0,1,0|0,0,1]=3 98 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 2621-1-2X [0,1,0,0,1,0|1,0,0]=3 99 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 3732-1-X7 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 4657-1-29 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl 2917-5-22 [0,1,0,0,1,0|0,0,2]=4 102 B12R1.125 CC1=CC=CC=C1CCC(=O)O 2721-1-41 [0,1,0,0,1,0|1,0,0]=3 103 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 2721-9-05 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 2721-5-05 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.125 O=C(O)CCC1=CC=CC=C1F 2721-3-12 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.125 O=C(O)CCC1=CC=CC=C1O 2729-1-16 [0,1,0,0,1,0|1,0,0]=3 107 B12R1.125 O=C(O)COC1=CC=CC=C1Br 2621-9-0G [0,1,0,0,1,0|2,0,0]=4 108 B12R1.226 CC(=O)\C=C/C1=CC=CC(Cl)=C1 2917-5-X1 [0,1,0,0,1,0|0,0,2]=4 109 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 2721-1-03 [0,1,0,0,1,0|1,0,0]=3 110 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 4657-1-Z7 [0,1,0,0,1,0|1,0,0]=3 111 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 2721-3-13 [0,1,0,0,1,0|1,0,0]=3 112 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 2721-9-06 [0,1,0,0,1,0|1,0,0]=3 113 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 2721-5-Y0 [0,1,0,0,1,0|1,0,0]=3 114 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 2721-H-05 [0,1,0,0,1,0|1,0,0]=3 115 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 2729-1-17 [0,1,0,0,1,0|1,0,0]=3 116 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 2621-3-6R [0,1,0,0,1,0|2,0,0]=4 117 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F 2621-3-2X [0,1,0,0,0,1|2,0,0]=4 118 B14R1.677 CC(=O)OCCCC1=CC=C(Br)C=C1 2623-9-55 [0,1,0,0,0,1|0,0,0]=2 119 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 2721-3-Y3 [0,1,0,0,0,1|2,0,0]=4 120 B14R1.677 O=C(O)CCCOC1=CC=C(F)C=C1 2621-3-2Z [0,1,0,0,0,1|2,0,0]=4 121 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O 4757-1-01 [0,1,0,0,0,1|2,0,0]=4 122 B14R1.756 COC(=O)C(=O)CCC1=CC=CC=C1 2729-1-X4 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 2721-1-2K [0,2,0,0,0,0|2,0,0]=4 124 B12R2.1081 O=C1CCCC2=C1C=CC=C2 2717-1-03 [1,0,0,1,0,0|1,0,0]=3 125 B12R2.1081 O=C1CCCC2=C1N=CC=C2 4H17-1-15 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.1081 O=C1CCOC2=CC=CC=C12 2H17-1-07 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.1081 O=C1NCCC2=CC=CC=C12 4H48-1-KU [1,0,0,1,0,0|1,0,0]=3 128 B12R2.1081 O=C1OCCC2=CC=CC=C12 2H25-1-2D [1,0,0,1,0,0|0,0,0]=2 129 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 2717-1-Z2 [0,0,0,1,1,0|0,0,0]=2 130 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 2617-1-2B [0,0,0,1,1,0|0,0,0]=2 131 B12R2.24 O=C1CCC2=CC=CC=C2N1 4H48-1-T2 [0,0,0,1,1,0|1,0,0]=3 132 B12R2.24 OC1CCC2=CC=CC=C2C1 2602-1-08 [0,0,0,1,1,0|0,0,2]=4 133 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 4H17-1-14 [0,0,0,1,0,1|1,0,0]=3 134 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 4H17-1-Y7 [0,0,0,1,0,1|1,0,0]=3 135 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 4H17-1-Y8 [0,0,0,1,0,1|1,0,0]=3 136 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 2717-1-Z3 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.300 CC(=O)N1CCC2=CC(Br)=CC=C21 4H48-9-V7 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.300 CC(=O)N1CCC2=CC(N)=CC=C21 4H48-1-L7 [0,1,0,1,0,0|1,0,0]=3 139 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 2721-1-02 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 4H56-1-UW [0,1,0,1,0,0|2,0,0]=4 141 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 4H56-1-572 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 4H56-1-G6 [0,1,0,1,0,0|1,0,0]=3 143 B14R2.95 COC(=O)C1=CCC2=CC=CC=C21 2623-1-X4 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.18 CC(=O)CC1=CC=NC=C1 4H17-1-61 [0,0,0,0,2,0|1,0,0]=3 145 B10R1.18 CC(=O)OC1=CC=CC=C1 2623-1-Y3 [0,0,0,0,2,0|0,0,0]=2 146 B10R1.18 CC(C)CC1=CC=CC=C1 1700-1-X0 [0,0,0,0,2,0|1,0,1]=4 147 B10R1.18 CC(C)OC1=CC=CC=C1 2607-1-10 [0,0,0,0,2,0|1,0,1]=4 148 B10R1.18 CN(C)CC1=CC=CC=C1 3632-1-07 [0,0,0,0,2,0|2,0,0]=4 149 B10R1.18 NC(=O)CC1=CC=CC=C1 4748-1-X7 [0,0,0,0,2,0|1,0,0]=3 150 B10R1.18 NC(=S)CC1=CC=CC=C1 7667-1-41 [0,0,0,0,2,0|1,1,0]=4 151 B10R1.18 O=C(Cl)CC1=CC=CC=C1 2716-5-04 [0,0,0,0,2,0|1,0,0]=3 152 B10R1.18 O=C(Cl)OC1=CC=CC=C1 2616-5-05 [0,0,0,0,2,0|1,0,0]=3 153 B10R1.18 O=C(O)CC1=CC=CC=N1 4H58-5-0B [0,0,0,0,2,0|2,0,0]=4 154 B10R1.18 O=C(O)CC1=CC=CN=C1 4H21-1-J9 [0,0,0,0,2,0|2,0,0]=4 155 B10R1.18 O=C(O)CC1=CC=CN=C1 4H21-5-Z8 [0,0,0,0,2,0|2,0,0]=4 156 B10R1.18 O=C(O)CC1=CC=NC=C1 4H58-5-4Y [0,0,0,0,2,0|2,0,0]=4 157 B10R1.18 O=S([O-])CC1=CC=CC=C1 6665-1-00 [0,0,0,0,2,0|2,0,0]=4 158 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 4654-1-9H [0,0,0,0,2,0|2,0,0]=4 159 B14R1.422 CC(=O)OCCCOC1=CC=CC=C1 2623-1-99 [0,0,0,0,0,2|0,0,0]=2 160 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 6666-1-20 [0,0,0,0,0,2|1,1,0]=4