0 B10R0.3 C=C(Br)CCCC(=O)OCC 2324-9-02 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.3 C=C(Cl)CCCC(=O)OCC 2324-5-07 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.3 CCCC(S)CCOC(C)=O 6160-1-X2 [0,0,0,0,0,0|2,1,1]=4 3 B10R0.3 CCOC(=O)CCCC(=O)O 2123-1-76 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.3 CCOC(=O)CCCC(C)=O 2129-1-37 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.3 CCOC(=O)CCCN(C)C 4158-1-35 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.3 CCOC(=O)CSCC(C)=O 6166-1-16 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.1 COC(=O)CCCC(=O)Cl 2123-5-0Y [1,0,0,0,0,0|2,0,0]=3 8 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [1,0,0,0,0,0|1,0,0]=2 9 B9R0.1 COC(=O)CCC[N+](=O)[O-] 4154-1-0D [1,0,0,0,0,0|2,0,1]=4 10 B9R0.1 O=C(O)CCNC(=O)CCl 4158-5-32 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.2 C=C(Br)CCCCCCC 1300-9-07 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.2 C=C(C)CCCCCCC 1300-1-34 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.2 C=C(Cl)CCCCCCC 1300-5-25 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.2 C=CCCCCCC(=O)O 2321-1-25 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.2 CCCCCC#CC(=O)O 2521-1-00 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.2 CCCCCCCC(=O)Cl 2116-5-15 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.2 CCCCCCCC(C)O 2102-1-09 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.2 CCCCCCC[C@@H](C)O 2102-1-R2 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.2 CCCCCCC[C@H](C)O 2102-1-S2 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.2 CCCCC\C=C\C(=O)O 2321-1-0M [1,0,0,0,0,0|0,0,3]=4 21 B9R0.2 CCCCSCCC(=O)O 6166-1-08 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.2 CC\C=C/CCOC(C)=O 2323-1-Z0 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.2 NOCCCCCC(=O)O 4121-9-02 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.5 C=CCCCC(=O)OCC 2323-1-13 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.5 CCCC(=O)OCCCCl 2123-5-0R [1,0,0,0,0,0|2,0,1]=4 26 B9R0.5 CCCC(=O)OCCCF 2123-3-1E [1,0,0,0,0,0|2,0,1]=4 27 B9R0.5 CCOC(=O)CCCC=O 2123-1-73 [1,0,0,0,0,0|1,0,0]=2 28 B9R0.5 CCOC(=O)CCCCBr 2123-9-33 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.5 CCOC(=O)CCCCI 2123-H-01 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.5 CCOC(=O)CCCCO 2129-1-60 [1,0,0,0,0,0|1,0,1]=3 31 B9R0.5 CCOC(=O)CCN=C=O 4149-1-03 [1,0,0,0,0,0|2,0,1]=4 32 B11R0.180 CCOC(=O)CCCS(=O)(=O)Cl 6162-5-04 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.15 CCOC(=O)C1=CC(=O)CC1 2429-1-02 [0,0,0,1,0,0|2,0,1]=4 34 B11R1.15 CCOC(=O)C1CNC(=O)C1 4H48-1-YX [0,0,0,1,0,0|3,0,0]=4 35 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 4H58-1-216 [0,0,0,1,0,0|2,0,0]=3 36 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 4H58-1-R11 [0,0,0,1,0,0|2,0,0]=3 37 B11R1.157 O=C(O)CN1CCOC(=O)C1 4H29-1-91 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.157 O=C1CCCC(C[N+](=O)[O-])C1 4254-1-00 [0,0,0,1,0,0|1,0,1]=3 39 B11R1.645 O=C(O)CC1CC(=O)OC1=O 2H26-1-13 [0,0,0,1,0,0|2,0,1]=4 40 B11R1.816 CCOC(=O)C1CC1C(=O)O 2223-1-17 [0,0,0,1,0,0|1,0,0]=2 41 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O 2223-1-36 [0,0,0,1,0,0|1,0,0]=2 42 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [0,0,0,0,1,0|1,0,0]=2 43 B9R0.48 CCOC(=O)CNC(C)=O 4158-1-25 [0,0,0,0,1,0|3,0,0]=4 44 B9R0.48 CCOC(=O)CNC(N)=O 4153-1-04 [0,0,0,0,1,0|3,0,0]=4 45 B11R0.176 C=C(Br)CCCCC(=O)OCC 2324-9-01 [0,0,0,0,0,1|3,0,0]=4 46 B11R0.176 C=C(C)CCCCC(=O)OCC 2324-1-19 [0,0,0,0,0,1|3,0,0]=4 47 B11R0.176 C=C(Cl)CCCCC(=O)OCC 2324-5-06 [0,0,0,0,0,1|3,0,0]=4 48 B8R0.6 C=CCCCC(=O)OC 2324-1-0B [2,0,0,0,0,0|2,0,0]=4 49 B8R0.7 C#CCCCCC(=O)O 2521-1-04 [2,0,0,0,0,0|0,0,2]=4 50 B8R0.7 C=C(Br)CCCCCC 1300-9-08 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.7 C=C(Cl)CCCCCC 1300-5-26 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.7 C=CCCCCC(=O)O 2321-1-0N [2,0,0,0,0,0|0,0,2]=4 53 B8R0.7 CCCCC#CC(=O)O 2521-1-0A [2,0,0,0,0,0|0,0,2]=4 54 B8R0.7 CCCCCCB(O)O 6160-1-00 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.7 CCCCCCC(C)=O 2117-1-X1 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.7 CCCCCC[C@@H](C)O 2102-1-R1 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.7 CCCCOCC(=O)O 2121-1-52 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.7 COCCOCC(=O)O 2121-1-33A [2,0,0,0,0,0|2,0,0]=4 59 B8R0.7 COCCOCC(=O)O 2121-1-33B [2,0,0,0,0,0|2,0,0]=4 60 B8R0.7 COCCOCC(=O)O 2121-1-33C [2,0,0,0,0,0|2,0,0]=4 61 B8R0.7 NC(=O)CCCCCBr 4148-9-07 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.7 NCCCCCC(=O)O 4157-1-0B [2,0,0,0,0,0|1,0,0]=3 63 B8R0.7 O=C(O)CCCCCCl 2121-5-06 [2,0,0,0,0,0|1,0,0]=3 64 B8R0.7 O=C(O)CCCCCO 2129-1-0D [2,0,0,0,0,0|1,0,0]=3 65 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [2,0,0,0,0,0|1,0,0]=3 66 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [2,0,0,0,0,0|0,0,0]=2 67 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.28 O=C(Cl)CCCC(=O)Cl 2126-5-X0 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [2,0,0,0,0,0|1,0,0]=3 71 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [2,0,0,0,0,0|2,0,0]=4 73 B8R0.4 C=CCCCCCCC 1300-1-28 [2,0,0,0,0,0|1,0,1]=4 74 B8R0.1 C=CCCC(=O)OCC 2323-1-0V [2,0,0,0,0,0|1,0,1]=4 75 B8R0.1 CCCC(=O)OCCBr 2123-9-0C [2,0,0,0,0,0|2,0,0]=4 76 B8R0.1 CCCC(=O)OCCCl 2123-5-0J [2,0,0,0,0,0|2,0,0]=4 77 B8R0.1 CCOC(=O)CCC=O 2123-1-64 [2,0,0,0,0,0|1,0,0]=3 78 B8R0.1 CCOC(=O)CCCN 4158-5-49 [2,0,0,0,0,0|2,0,0]=4 79 B10R0.57 COC(=O)C(C)CCC(=O)O 2123-1-16 [1,1,0,0,0,0|1,0,0]=3 80 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 4157-1-S0 [1,1,0,0,0,0|1,0,0]=3 81 B10R0.82 COC(=O)CC[C@H](N)C(N)=O 4158-5-S1 [1,1,0,0,0,0|2,0,0]=4 82 B10R0.4 CCCCCCC#CC(=O)O 2521-1-10 [1,1,0,0,0,0|0,0,2]=4 83 B10R0.4 O=C(O)CCCCCCCO 2129-1-51 [1,1,0,0,0,0|0,0,1]=3 84 B10R0.74 CCCCCCCC(=O)CC 2117-1-07 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.74 CCCCCCCC(=O)OC 2123-1-50 [1,1,0,0,0,0|0,0,1]=3 86 B10R0.74 COC(=O)CCCCCCBr 2123-9-0P [1,1,0,0,0,0|1,0,1]=4 87 B10R0.74 COC(=O)CCCCCCN 4158-5-0C [1,1,0,0,0,0|1,0,1]=4 88 B10R0.75 CCCCCCC(Br)C(=O)Br 2116-9-10 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.75 CCCCCCC(Br)C(=O)O 2121-9-17 [1,1,0,0,0,0|0,0,1]=3 90 B10R0.75 CCCCSC[C@H](N)C(=O)O 8166-1-R2 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.1 C=CCCCCC(=O)OCC 2324-1-22 [1,1,0,0,0,0|2,0,0]=4 92 B10R0.96 CC(C)CC(=O)NCC(=O)O 4148-1-0Q [0,1,0,0,1,0|1,0,0]=3 93 B10R1.13 NC1CCC(C(=O)O)CC1 4257-5-0B [1,0,0,1,0,0|1,0,1]=4 94 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 4257-5-X0 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.13 O=C(O)C1CCC(Cl)CC1 2221-5-00 [1,0,0,1,0,0|1,0,1]=4 96 B10R1.13 O=C(O)C1CCC(O)CC1 2221-1-1M [1,0,0,1,0,0|0,0,2]=4 97 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 2229-1-1G [1,0,0,1,0,0|0,0,2]=4 98 B10R1.13 O=C1CCC(C(=O)O)CN1 4H58-1-A5 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.54 O=C(O)CC1CCC(=O)O1 2H21-1-09 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 4254-1-04 [1,0,0,1,0,0|1,0,1]=4 101 B10R1.79 O=C1CCCC(=O)CCC1 2218-1-06 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O 4H56-1-GQ [1,0,0,1,0,0|1,0,0]=3 103 B10R1.10 CCCC1CCCC(=O)C1 2217-1-34 [1,0,0,1,0,0|1,0,1]=4 104 B10R1.10 CCOC1=CC(=O)CCC1 3417-1-X1 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.18 O=C(O)CC1CCCCN1 4H58-5-9H [1,0,0,1,0,0|1,0,1]=4 106 B10R1.18 O=C(O)CC1CCCNC1 4H58-1-G2 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.18 O=C(O)CC1CNCCO1 4H21-5-2M [1,0,0,1,0,0|2,0,0]=4 108 B10R1.18 O=C(O)CC1COCCO1 2H21-1-49 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.18 O=C(O)C[C@@H]1CCCCN1 4H56-1-GP [1,0,0,1,0,0|1,0,1]=4 110 B10R1.39 CCN1CCCC1C(=O)O 4H58-1-00U [1,0,0,1,0,0|1,0,1]=4 111 B10R1.39 CCN1CCC[C@@H]1C(=O)O 4H57-1-1N [1,0,0,1,0,0|1,0,1]=4 112 B10R1.61 CC1CCCCC1C(=O)O 2221-1-1J [1,0,0,1,0,0|0,0,1]=3 113 B10R1.61 CC1CNCCC1C(=O)O 4H58-5-6B [1,0,0,1,0,0|1,0,0]=3 114 B10R1.61 CN1CCCC[C@@H]1C(=O)O 4H56-1-JS [1,0,0,1,0,0|1,0,1]=4 115 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-19 [1,0,0,1,0,0|1,0,1]=4 116 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O 4457-5-04 [1,0,0,1,0,0|1,0,1]=4 117 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-5-00 [1,0,0,1,0,0|1,0,1]=4 118 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-5-05 [1,0,0,1,0,0|1,0,1]=4 119 B10R1.61 O=C(O)C1CCCCC1O 2229-1-1P [1,0,0,1,0,0|1,0,1]=4 120 B10R1.61 O=C(O)C1CCNCC1F 4H58-7-51 [1,0,0,1,0,0|2,0,0]=4 121 B10R1.66 O=C(Cl)CCC1CCCC1 2216-5-08 [1,0,0,1,0,0|1,0,1]=4 122 B10R1.66 O=C(O)CCC1CCCO1 2H21-1-0X [1,0,0,1,0,0|1,0,0]=3 123 B10R1.66 O=C(O)COC1CCCC1 2221-1-0H [1,0,0,1,0,0|1,0,1]=4 124 B10R1.348 NC(=O)C1CCCCCC1 4248-1-0D [1,0,0,1,0,0|1,0,1]=4 125 B10R1.348 O=C(O)C1CCCNCC1 4H58-1-H9 [1,0,0,1,0,0|1,0,0]=3 126 B10R1.11 CCOC(=O)C1CCCO1 2H23-1-1B [1,0,0,1,0,0|1,0,1]=4 127 B10R1.29 O=CCCC1CCCC1=O 2217-1-04 [1,0,0,1,0,0|0,0,0]=2 128 B10R1.135 CCOC(=O)C1CC1C=O 2223-1-58 [1,0,0,1,0,0|1,0,0]=3 129 B10R1.135 CCOC(=O)C1CC1CO 2229-1-66 [1,0,0,1,0,0|1,0,1]=4 130 B10R1.138 CCCC(=O)OC[C@@H]1CO1 2123-1-S5 [1,0,0,1,0,0|1,0,1]=4 131 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 4357-1-02 [0,0,0,1,1,0|2,0,0]=4 132 B10R1.71 O=C1CCC(=O)NCCN1 4H48-1-40 [0,0,0,1,1,0|2,0,0]=4 133 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-5-Z1 [0,0,0,1,1,0|2,0,0]=4 134 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 4H21-1-R0 [0,0,0,1,1,0|2,0,0]=4 135 B10R1.113 CN1CCC[C@H](C(=O)O)C1 4H21-1-S0 [0,0,0,1,1,0|2,0,0]=4 136 B10R1.113 NC1CCCC(C(=O)O)C1 4257-1-X1 [0,0,0,1,1,0|1,0,1]=4 137 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-5-0A [0,0,0,1,1,0|1,0,1]=4 138 B10R1.113 O=C(O)C1CCCC(O)C1 2229-1-0Z [0,0,0,1,1,0|0,0,2]=4 139 B10R1.113 O=C(O)C1CS(=O)CCN1 8H65-5-02 [0,0,0,1,1,0|2,0,0]=4 140 B10R1.113 O=C1C=CCC(C(=O)O)C1 2429-1-03 [0,0,0,1,1,0|0,0,2]=4 141 B10R1.113 O=C1CC(C(=O)O)CCN1 4H58-1-C7 [0,0,0,1,1,0|1,0,0]=3 142 B12R1.17 CCOC(=O)N1CCCC(=O)C1 4H56-1-08C [0,0,0,1,0,1|2,0,0]=4 143 B12R1.252 O=C(O)CCCC1CCCCC1 2221-1-0M [0,1,0,1,0,0|1,0,1]=4 144 B12R2.1661 O=C(O)CC1CC2CCC1C2 2221-1-0T [0,0,0,2,0,0|1,0,1]=4 145 B12R2.2899 C=C1CC2CC(=O)CC(C1)C2 2417-1-03 [0,0,0,2,0,0|2,0,0]=4 146 B8R0.9 COC(=O)CCC(=O)Cl 2123-5-1D [1,0,0,0,1,0|2,0,0]=4 147 B8R0.9 COC(=O)CCC(N)=O 4148-1-1L [1,0,0,0,1,0|2,0,0]=4 148 B8R0.5 CCC\C(C)=C\C(=O)O 2321-1-21 [0,0,0,0,2,0|1,0,1]=4 149 B8R0.5 CCOC(=O)CC(=O)Cl 2123-5-00 [0,0,0,0,2,0|2,0,0]=4 150 B12R0.277 CCOC(=O)CCCCCC(=O)O 2121-1-13 [0,0,0,0,0,2|1,0,0]=3