0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 4H48-1-R4 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,0,0,0,0,0|0,0,0]=0 8 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 4H56-1-7T [0,0,0,0,0,0|3,0,1]=4 11 B8R1.1 C=CC1CCC(=O)N1 4H56-1-78 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 O=C1CC[C@H](CO)N1 4H48-1-MC [1,0,0,0,0,0|0,0,1]=2 14 B8R1.1 O=C1OCC(CO)O1 2H28-1-37 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 O=C(O)C1=CC=CN1 4H56-1-6E [1,0,0,0,0,0|0,0,3]=4 21 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.7 O=C(O)C1=CN=CN1 P612-A-11 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 O=C(O)C1=NC=CN1 P612-A-10 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.7 O=C(O)C1=NN=CN1 4H56-1-6N [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,0,0,0|0,0,1]=2 31 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,0,0,0|0,0,1]=2 33 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.14 COC(=O)C1CCC(=O)C1 2229-1-X4 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 4H58-1-BE [0,1,0,0,0,0|0,0,0]=1 37 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-30 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 4H58-1-FM [0,1,0,0,0,0|0,0,0]=1 39 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,0,1,0,0,0|2,0,0]=3 40 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [0,0,1,0,0,0|1,0,0]=2 41 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 4158-1-S9 [0,0,1,0,0,0|0,0,0]=1 42 B8R0.23 CC(=O)N[C@H](C)C(=O)O 4158-1-59 [0,0,1,0,0,0|0,0,0]=1 43 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 2123-5-S0 [0,0,1,0,0,0|2,0,0]=3 44 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [0,0,1,0,0,0|2,0,0]=3 46 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [0,0,1,0,0,0|2,0,0]=3 47 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,0,0,0,1,0|1,0,2]=4 50 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,0,0,0,1,0|1,0,0]=2 51 B10R1.13 CC(=O)N1CCC(=O)CC1 4H18-1-03 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,0,0,0,0,1|2,0,1]=4 53 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,0,0,0,0,1|2,0,1]=4 57 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,0,0,0,0,1|1,0,2]=4 58 B10R1.13 O=C1C=CC(C(=O)O)=NN1 4H29-1-08 [0,0,0,0,0,1|0,0,3]=4 59 B10R1.13 O=C1C=CC(C(=O)O)=NN1 4H56-1-5P [0,0,0,0,0,1|0,0,3]=4 60 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,0,0,0,0,1|1,0,0]=2 61 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 4H58-1-S05 [0,0,0,0,0,1|0,0,0]=1 64 B7R0.3 C=CCNC(=O)CCl 4348-5-X0 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [1,0,1,0,0,0|1,0,1]=4 66 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,0,1,0,0,0|0,0,1]=3 67 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,0,1,0,0,0|1,0,1]=4 68 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,0,1,0,0,0|0,0,1]=3 71 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,0,1,0,0,0|0,0,1]=3 72 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,0,1,0,0,0|0,0,1]=3 74 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.6 CC(=O)OCC(=O)Cl 2129-5-X0 [1,0,1,0,0,0|2,0,0]=4 76 B7R0.6 N=C(N)NCC(=O)O 4156-1-60 [1,0,1,0,0,0|2,0,0]=4 77 B7R1.1 O=CC1CCOC1 2H15-1-1K [2,0,0,0,0,0|2,0,0]=4 78 B7R1.1 OCC1CCCN1 4H01-1-95 [2,0,0,0,0,0|0,0,2]=4 79 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [2,0,0,0,0,0|0,0,2]=4 80 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [2,0,0,0,0,0|0,0,2]=4 81 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [2,0,0,0,0,0|1,0,1]=4 82 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [2,0,0,0,0,0|0,0,1]=3 83 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [2,0,0,0,0,0|1,0,1]=4 84 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [2,0,0,0,0,0|2,0,0]=4 85 B9R0.7 O=C(O)CCC(=O)C(=O)O 2129-1-00 [0,1,1,0,0,0|1,0,1]=4 86 B9R0.8 CCCCC(N)C(=O)OC 4157-5-03 [0,1,1,0,0,0|1,0,1]=4 87 B9R0.8 COC(=O)C(N)CCSC 8166-5-03 [0,1,1,0,0,0|2,0,0]=4 88 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-S6 [0,1,1,0,0,0|1,0,1]=4 89 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-X0 [0,1,1,0,0,0|1,0,1]=4 90 B9R0.48 CCOC(=O)CCC(=O)Cl 2123-5-1G [0,1,1,0,0,0|2,0,0]=4 91 B9R0.48 CCOC(=O)CCC(C)=O 2129-1-17 [0,1,1,0,0,0|2,0,0]=4 92 B9R0.48 CCOC(=O)\C=C\C(=O)O 2323-1-34 [0,1,1,0,0,0|1,0,1]=4 93 B9R0.33 CC(C)[C@H](NC=O)C(=O)O 4H58-1-7E [0,1,1,0,0,0|0,0,0]=2 94 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 8158-1-X1 [0,1,1,0,0,0|1,0,0]=3 95 B9R0.11 CC(=O)OC(C)(C)C(=O)Br 2123-9-0Q [0,1,1,0,0,0|2,0,0]=4 96 B9R0.11 CC(C)(CC(=O)O)C(=O)O 2121-1-16 [0,1,1,0,0,0|2,0,0]=4 97 B9R0.1 COC(=O)CCCC(C)=O 2129-1-1R [0,1,1,0,0,0|1,0,0]=3 98 B9R1.11 COC(=O)C1CC=CC1 2423-1-X0 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.11 COC(=O)C1CCCC1 2223-1-48 [1,1,0,0,0,0|1,0,1]=4 100 B9R1.11 COC(=O)C1CCCN1 4H23-5-03 [1,1,0,0,0,0|0,0,1]=3 101 B9R1.11 COC(=O)C1CCNC1 4H58-5-4A [1,1,0,0,0,0|2,0,0]=4 102 B9R1.11 COC(=O)C1NCCS1 8H23-5-05 [1,1,0,0,0,0|1,0,1]=4 103 B9R1.11 COC(=O)[C@@H]1CCCN1 4H58-5-X8 [1,1,0,0,0,0|0,0,1]=3 104 B9R1.11 COC(=O)[C@H]1CCCN1 4H56-5-R5 [1,1,0,0,0,0|0,0,1]=3 105 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [1,1,0,0,0,0|0,0,1]=3 106 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-5-S3 [1,1,0,0,0,0|0,0,1]=3 107 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H57-5-R3 [1,1,0,0,0,0|0,0,1]=3 108 B9R1.82 COC(=O)C1CC(=O)C1 2229-1-02 [0,1,0,0,1,0|1,0,0]=3 109 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 2229-1-X6 [0,1,0,0,0,1|1,0,0]=3 110 B11R1.15 CCOC(=O)C1CCC(=O)C1 2229-1-12 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.15 CCOC(=O)N1CCC(=O)C1 4H56-1-LG [0,2,0,0,0,0|2,0,0]=4 112 B11R1.226 COC(=O)C1CC(=O)N(C)C1 4H48-1-00X [0,2,0,0,0,0|2,0,0]=4 113 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 2221-1-Y2 [0,2,0,0,0,0|1,0,1]=4 114 B9R1.6 O=C(O)C1CC=CCC1 2421-1-00 [0,0,1,1,0,0|2,0,0]=4 115 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [0,0,1,1,0,0|1,0,1]=4 116 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [0,0,1,1,0,0|1,0,1]=4 117 B9R1.6 O=C(O)[C@@H]1CC=CCC1 2421-1-S0 [0,0,1,1,0,0|2,0,0]=4 118 B9R1.6 O=C(O)[C@H]1CC=CCC1 2421-1-R0 [0,0,1,1,0,0|2,0,0]=4 119 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [0,0,1,1,0,0|1,0,1]=4 120 B9R1.69 NC1CCC(=O)NC1=O 4H48-5-0E [0,0,1,1,0,0|1,0,0]=3 121 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [0,0,1,1,0,0|1,0,1]=4 122 B9R2.39 O=C1NC2C=CC1C2 4H48-1-62 [1,0,0,1,0,0|1,0,0]=3 123 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 4H48-1-S8 [1,0,0,1,0,0|1,0,0]=3 124 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 4H48-1-R8 [1,0,0,1,0,0|1,0,0]=3 125 B7R0.16 CC(=O)C(Cl)C(C)=O 2118-5-01 [0,0,1,0,1,0|2,0,0]=4 126 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [1,0,0,0,1,0|1,0,1]=4 127 B7R1.18 O=C(O)C1CNC1 P911-A-52 [1,0,0,0,1,0|1,0,1]=4 128 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [1,0,0,0,1,0|0,0,0]=2 129 B7R1.12 O=C(O)C1CC1F 2221-3-0B [0,0,0,0,2,0|1,0,1]=4 130 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [0,0,0,0,2,0|1,0,1]=4 131 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [0,0,1,0,0,1|1,0,0]=3 132 B9R1.13 O=C(O)CC1CCCC1 2221-1-Y3 [1,0,0,0,0,1|1,0,1]=4