0 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(=O)OCC(=O)Cl 2129-5-X0 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)=NNC(N)=O 4153-1-0A [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 N=C(N)NCC(=O)O 4156-1-60 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 O=C(O)\C=C/C(=O)O 2321-1-07 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.6 O=C([O-])C#CC(=O)O 2522-1-19 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.4 C#CCCC(=O)O 2521-1-02 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 C=CCOC(C)=O 2324-1-08 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CC(=O)CCCCl 2117-5-52 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.4 CC(=O)NCCCl 4148-5-15 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CCC#CC(=O)O 2521-1-12 [1,0,0,0,0,0|0,0,3]=4 19 B6R0.4 CCCCB(O)O 6160-1-06 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CCCCC(=O)O 2121-1-0C [1,0,0,0,0,0|0,0,1]=2 21 B6R0.4 CCCOC(C)=O 2123-1-32 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCOCC(=O)Cl 2116-5-0F [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CN(C)CCCO 4156-1-40 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CNCCC(N)=O 4148-1-30 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 NC(=O)NCCO 4153-1-02 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 NCCCC(=O)O 4157-1-X2 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.9 CC(=O)OCC(O)CCl 2129-5-08 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 4158-1-S9 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.23 CC(=O)N[C@H](C)C(=O)O 4158-1-59 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 2123-5-S0 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,1,0,0,0,0|1,0,1]=3 35 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.29 CC(=O)CCC(F)(F)F 2117-3-26 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.29 O=C(O)CCC(F)(F)F 2121-3-44 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.3 CC1=NNC(=O)CC1 4H56-1-XC [0,0,0,1,0,0|2,0,0]=3 40 B8R1.3 CN1CCC(=O)CC1 4H56-1-7L [0,0,0,1,0,0|3,0,0]=4 41 B8R1.3 O=C1CNC(=O)CN1 4H48-1-Q2 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.3 O=C1COC(=O)CO1 2H08-1-X0 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,0,0,1,0,0|0,0,2]=3 46 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,0,0,1,0,0|0,0,0]=1 47 B8R1.77 O=C(O)C1CC1(F)Cl 2221-7-X0 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.77 O=C(O)C1CC1(F)F 2221-3-X2 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,0,0,1,0,0|2,0,1]=4 50 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,0,0,0,1,0|1,0,0]=2 51 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,0,0,0,1,0|2,0,1]=4 52 B6R0.2 CC(=O)NC(=N)N 3153-1-X0 [0,0,0,0,1,0|3,0,0]=4 53 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,0,0,0,1,0|2,0,1]=4 54 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,0,0,0,1,0|1,0,2]=4 55 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,0,0,0,1,0|1,0,1]=3 56 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,0,0,0,1,0|2,0,1]=4 57 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,0,0,0,1,0|0,0,3]=4 58 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,0,0,0,1,0|2,0,0]=3 59 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [0,0,0,0,1,0|1,0,0]=2 60 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [0,0,0,0,0,1|2,0,0]=3 61 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [0,0,0,0,0,1|1,0,0]=2 62 B5R0.1 C=COC(C)=O 2324-1-50 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CC#CC(=O)O 2521-1-13 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.1 CC(C)CCO 2101-1-53 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 CC(N)CCO 4156-1-4D [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 CCCB(O)O 6160-1-X5 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.1 CCCC(=O)Cl 2116-5-09 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [2,0,0,0,0,0|0,0,1]=3 69 B5R0.1 CCCC(C)O 2102-1-52 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.1 CCNC(N)=O 4153-1-X1 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 COCC(=O)Cl 2116-5-X4 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.1 CSCC(=O)O 6166-1-05 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.1 C[C@@H](N)CCO 4156-1-RB [2,0,0,0,0,0|1,0,1]=4 74 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [2,0,0,0,0,0|0,0,2]=4 75 B5R0.1 NC(=O)CCBr 4148-9-00 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 NC(=O)CCCl 4148-5-02 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 O=C(O)CCO 2129-1-Y8 [2,0,0,0,0,0|0,0,1]=3 78 B5R0.2 C=CCCCC 1300-1-48 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.2 CCCCC=O 2115-1-00 [2,0,0,0,0,0|0,0,1]=3 80 B7R0.3 C=CCCC(=O)OC 2323-1-0J [1,1,0,0,0,0|0,0,1]=3 81 B7R0.3 C=CCNC(=O)CCl 4348-5-X0 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.3 C=CCOC(=O)OC 2328-1-02 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.3 CNCCC(=O)NC 4148-1-31 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.3 COC(=O)CCCBr 2123-9-0H [1,1,0,0,0,0|1,0,1]=4 85 B7R0.3 COC(=O)CCCN 4158-5-18 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,1,0,0,0,0|0,0,2]=4 89 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,1,0,0,0,0|0,0,1]=3 90 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,1,0,0,0,0|1,0,1]=4 91 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,1,0,0,0,0|0,0,1]=3 94 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,1,0,0,0,0|0,0,1]=3 95 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,1,0,0,0,0|1,0,0]=3 96 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,1,0,0,0,0|0,0,2]=4 98 B7R0.8 CS(=O)(=O)CCCO 6163-1-0D [1,1,0,0,0,0|1,0,1]=4 99 B7R0.9 CC(=O)CS(C)(=O)=O 6163-1-06 [0,1,0,0,1,0|1,0,1]=4 100 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,1,0,0,1,0|1,0,1]=4 101 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,1,0,0,1,0|1,0,1]=4 102 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,1,0,0,1,0|1,0,0]=3 103 B7R0.16 CC(=O)C(Cl)C(C)=O 2118-5-01 [0,1,0,0,1,0|1,0,0]=3 104 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,1,0,0,1,0|1,0,1]=4 105 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,1,0,0,1,0|1,0,1]=4 106 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,1,0,0,1,0|0,0,2]=4 107 B7R0.16 NC(=O)C(N)C(N)=O 4148-1-07 [0,1,0,0,1,0|2,0,0]=4 108 B9R0.1 COC(=O)CCCC(C)=O 2129-1-1R [0,1,0,0,0,1|0,0,0]=2 109 B9R0.7 CC(=O)CCC(F)=C(F)F 2317-3-01 [0,1,0,0,0,1|2,0,0]=4 110 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,1,0,0,0,1|0,0,0]=2 111 B9R0.7 O=C(O)CCC(=O)C(=O)O 2129-1-00 [0,1,0,0,0,1|1,0,0]=3 112 B9R0.7 O=C(O)CCC(F)=C(F)F 2321-3-05 [0,1,0,0,0,1|2,0,0]=4 113 B9R0.53 CC(=O)OC(C)OC(C)=O 2123-1-1K [0,1,0,0,0,1|2,0,0]=4 114 B9R0.23 COC(=O)C(=O)CC(C)=O 2129-1-Y3 [0,2,0,0,0,0|0,0,1]=3 115 B9R0.23 COC(=O)[C@@H](N)CC(C)C 4158-5-SG [0,2,0,0,0,0|1,0,1]=4 116 B9R0.23 COC(=O)[C@H](N)CC(C)C 4158-5-RG [0,2,0,0,0,0|1,0,1]=4 117 B9R0.24 COC(=O)C#CC(=O)OC 2523-1-X0 [0,2,0,0,0,0|0,0,2]=4 118 B9R0.24 NNC(=O)CCC(=O)NN 4156-1-20 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.42 C=C(CC(=O)OC)C(=O)O 2323-1-19 [0,2,0,0,0,0|0,0,1]=3 120 B9R0.42 COC(=O)C[C@H](N)C(=O)O 4157-5-S2 [0,2,0,0,0,0|0,0,0]=2 121 B9R0.48 CCOC(=O)CCC(=O)Cl 2123-5-1G [0,2,0,0,0,0|1,0,0]=3 122 B9R0.48 CCOC(=O)CCC(C)=O 2129-1-17 [0,2,0,0,0,0|0,0,0]=2 123 B9R0.48 CCOC(=O)\C=C\C(=O)O 2323-1-34 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.11 CC(=O)OC(C)(C)C(=O)Br 2123-9-0Q [0,2,0,0,0,0|2,0,0]=4 125 B9R0.11 CC(C)(CC(=O)O)C(=O)O 2121-1-16 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.11 O=C(O)CC(F)(F)C(=O)O 2121-3-07 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 8158-1-X1 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 2129-1-S1 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 4222-1-03 [0,2,0,0,0,0|1,0,0]=3 130 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 2129-1-R1 [0,2,0,0,0,0|1,0,0]=3 131 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [1,0,0,1,0,0|0,0,0]=2 133 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [1,0,0,1,0,0|0,0,0]=2 135 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.3 O=C1CCCCN1 4H48-1-1L [1,0,0,1,0,0|1,0,1]=4 138 B7R1.3 O=C1CCCCO1 2H25-1-X4 [1,0,0,1,0,0|0,0,1]=3 139 B7R1.3 O=C1CCCNC1 4H56-5-M8 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.3 O=C1CCCOC1 2H17-1-09 [1,0,0,1,0,0|0,0,1]=3 141 B7R1.3 O=C1CCCSC1 6H66-1-40 [1,0,0,1,0,0|0,1,1]=4 142 B7R1.3 O=C1CCNCC1 4H17-1-3B [1,0,0,1,0,0|2,0,0]=4 143 B7R1.3 O=C1CCNCC1 4H56-5-3R [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 O=C1CCOCC1 P911-A-16 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.3 O=C1COCCN1 4H58-1-05 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.3 O=C1OCCCO1 2H28-1-13 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.12 O=C(O)C1CC1F 2221-3-0B [1,0,0,1,0,0|1,0,1]=4 149 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.18 O=C(O)C1CNC1 P911-A-52 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [1,0,0,1,0,0|0,0,1]=3 154 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,1,0,1|2,0,0]=4 155 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,0,0,1,0,1|0,0,2]=4 156 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,0,0,1,0,1|0,0,2]=4 157 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,0,0,1,0,1|0,0,2]=4 158 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,0,0,1,0,1|0,0,2]=4 159 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [0,0,0,1,0,1|0,0,0]=2 160 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,0,0,1,0,1|1,0,0]=3 161 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,0,0,1,0,1|1,0,0]=3 162 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,0,0,1,0,1|1,0,0]=3 163 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O 2121-1-Z1 [0,0,0,1,0,1|1,0,0]=3 164 B9R1.10 O=C1CCS(=O)(=O)CC1 6H63-1-16 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.82 COC(=O)C1CC(=O)C1 2229-1-02 [0,1,0,1,0,0|0,0,0]=2 166 B9R1.82 COC(=O)C1CC(Cl)C1 2223-5-09 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.82 COC(=O)C1CC(O)C1 2229-1-28 [0,1,0,1,0,0|0,0,2]=4 168 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 2229-1-35 [0,1,0,1,0,0|0,0,2]=4 169 B9R1.164 CC1(C)CC(C(=O)O)C1 2221-1-27 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.164 O=C(O)C1CC(F)(F)C1 2221-3-04 [0,1,0,1,0,0|1,0,1]=4 171 B5R0.5 C=C(F)C(=O)O 2321-3-06 [0,0,0,0,2,0|1,0,1]=4 172 B5R0.5 CC(=O)C(=O)O 2129-1-03 [0,0,0,0,2,0|0,0,0]=2 173 B5R0.5 CC(=O)C(C)=O 2118-1-05 [0,0,0,0,2,0|1,0,0]=3 174 B5R0.5 CC(F)C(=O)O 2121-3-95 [0,0,0,0,2,0|1,0,1]=4 175 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [0,0,0,0,2,0|1,0,1]=4 176 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [0,0,0,0,2,0|1,0,1]=4 177 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [0,0,0,0,2,0|0,0,2]=4 178 B5R0.5 NC(=O)C(N)=O 4148-1-18 [0,0,0,0,2,0|2,0,0]=4 179 B5R0.5 O=C(Cl)C(=O)Cl 2116-4-02 [0,0,0,0,2,0|2,0,0]=4 180 B5R0.5 O=C(O)C(=O)O 2121-1-12 [0,0,0,0,2,0|1,0,0]=3 181 B5R0.5 O=C([O-])C(=O)[O-] 2122-0-00 [0,0,0,0,2,0|1,0,1]=4 182 B5R0.5 O=C([O-])C(=O)[O-] 2122-1-06 [0,0,0,0,2,0|1,0,1]=4 183 B5R0.5 O=C([O-])C(=O)[O-] M068-1-X0 [0,0,0,0,2,0|1,0,1]=4 184 B5R0.5 O=C([O-])C(=O)[O-] M068-1-X1 [0,0,0,0,2,0|1,0,1]=4 185 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [0,0,0,0,2,0|1,0,1]=4 186 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [0,0,0,0,0,2|0,0,0]=2 187 B9R0.55 CN(C)CCCCC(=O)O 4133-5-02 [0,0,0,0,0,2|2,0,0]=4