0 B9R0.7 C=C(CCC(=O)O)C(=O)O 2321-1-09 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 CC(=O)SCC(C)C(N)=O 8169-1-09 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 4157-1-R7 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 4157-1-W3 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 2129-1-69 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.8 C#CCC[C@@H](N)C(=O)O 4557-1-R1 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.8 CCCCC(Br)C(=O)O 2121-9-16 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.8 CCCCC(C)C(=O)O 2121-1-0S [1,0,0,0,0,0|2,0,1]=4 20 B8R0.8 COCC[C@H](N)C(=O)O 4157-5-S8 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.8 CSCCC(N)C(=O)O 8166-1-00 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.8 NOCC[C@H](N)C(=O)O 4157-1-08 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.8 [C@H](N)(CCSC)C(=O)O 8166-1-S5 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [1,0,0,0,0,0|1,0,0]=2 26 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.28 NC(=O)CCC[N+](=O)[O-] 4148-1-46 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.28 O=C(Cl)CCCC(=O)Cl 2126-5-X0 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [1,0,0,0,0,0|1,0,0]=2 31 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [1,0,0,0,0,0|2,0,0]=3 33 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-10 [1,0,0,0,0,0|1,0,2]=4 34 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-19 [1,0,0,0,0,0|1,0,2]=4 35 B10R0.43 NC(=O)CCC(N)(F)C(=O)O 4157-3-00 [0,1,0,0,0,0|0,0,0]=1 36 B10R0.57 COC(=O)C(C)CCC(=O)O 2123-1-16 [0,1,0,0,0,0|2,0,0]=3 37 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 4157-1-S0 [0,1,0,0,0,0|1,0,0]=2 38 B10R0.82 COC(=O)CC[C@H](N)C(N)=O 4158-5-S1 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O 8169-1-R1 [0,1,0,0,0,0|1,0,1]=3 40 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O 8164-1-07 [0,1,0,0,0,0|3,0,0]=4 41 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O 4157-3-29 [0,1,0,0,0,0|0,0,0]=1 42 B10R0.93 NC(=O)[C@@H](N)C[C@@H](F)C(=O)O 4157-3-31 [0,1,0,0,0,0|1,0,0]=2 43 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O 4157-1-06 [0,1,0,0,0,0|1,0,0]=2 44 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O 4157-3-0B [0,1,0,0,0,0|0,0,0]=1 45 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O 4157-3-40 [0,1,0,0,0,0|0,0,0]=1 46 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O 4157-3-10 [0,1,0,0,0,0|1,0,0]=2 47 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O 4157-3-11 [0,1,0,0,0,0|1,0,0]=2 48 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O 4157-1-0L [0,1,0,0,0,0|1,0,0]=2 49 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O 4157-1-0Q [0,1,0,0,0,0|1,0,0]=2 50 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O 2121-9-12 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 NC1CCC(C(=O)O)CC1 4257-5-0B [0,0,0,1,0,0|2,0,1]=4 52 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 4257-5-X0 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 4H57-5-17 [0,0,0,1,0,0|1,0,2]=4 54 B10R1.13 O=C1CCC(C(=O)O)=NN1 4H29-1-Z6 [0,0,0,1,0,0|0,0,2]=3 55 B10R1.13 O=C1CCC(C(=O)O)CN1 4H58-1-A5 [0,0,0,1,0,0|1,0,0]=2 56 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 4H29-3-35 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@H]1F 4H29-3-36 [0,0,0,1,0,0|3,0,0]=4 58 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,0,0,0,1,0|2,0,0]=3 59 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,0,0,0,1,0|3,0,0]=4 60 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,0,0,0,1,0|2,0,0]=3 61 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,0,0,0,1,0|2,0,0]=3 62 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,0,0,0,1,0|2,0,0]=3 63 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,0,0,0,1,0|2,0,0]=3 64 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,0,0,0,1,0|0,0,0]=1 65 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,0,0,0,1,0|0,0,0]=1 66 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,0,0,0,1,0|1,0,0]=2 67 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,0,0,0,1,0|2,0,0]=3 68 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,0,0,0,1,0|2,0,0]=3 69 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,0,0,0,1,0|2,0,0]=3 70 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,0,0,0,1,0|2,0,0]=3 71 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O 2121-1-X8 [0,0,0,0,0,1|2,0,0]=3 72 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O 4157-1-RE [0,0,0,0,0,1|1,0,0]=2 73 B7R0.4 C=CCCCC(=O)O 2321-1-0P [2,0,0,0,0,0|1,0,0]=3 74 B7R0.4 CCCCCC(N)=O 4148-1-1F [2,0,0,0,0,0|1,0,1]=4 75 B7R0.4 COCCCC(=O)O 2121-1-51 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.4 N#CCCCC(=O)O 4137-1-0M [2,0,0,0,0,0|0,0,2]=4 78 B7R0.4 NCCCCC(=O)O 4157-1-22 [2,0,0,0,0,0|0,0,1]=3 79 B7R0.4 NOCCCC(=O)O 4147-9-01 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.4 O=C(O)CCCCCl 2121-5-05 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.4 O=C([O-])CCCCO 2129-1-1E [2,0,0,0,0,0|1,0,1]=4 82 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [2,0,0,0,0,0|0,0,2]=4 83 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [2,0,0,0,0,0|0,0,2]=4 84 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [2,0,0,0,0,0|0,0,2]=4 85 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [2,0,0,0,0,0|0,0,1]=3 86 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [2,0,0,0,0,0|1,0,1]=4 87 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [2,0,0,0,0,0|1,0,1]=4 88 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [2,0,0,0,0,0|0,0,1]=3 89 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [2,0,0,0,0,0|1,0,1]=4 91 B7R0.5 COCC(N)C(=O)O 4157-1-18 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [2,0,0,0,0,0|0,0,1]=3 95 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [2,0,0,0,0,0|0,0,0]=2 96 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [2,0,0,0,0,0|1,0,0]=3 98 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [2,0,0,0,0,0|0,0,0]=2 99 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [2,0,0,0,0,0|1,0,1]=4 100 B9R0.6 CCCC(F)C(N)C(=O)O 4157-3-X0 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.8 CCCC[C@@H](N)C(=O)OC 4158-5-RM [1,1,0,0,0,0|1,0,1]=4 102 B9R0.8 CCCC[C@H](N)C(=O)OC 4158-5-SM [1,1,0,0,0,0|1,0,1]=4 103 B9R0.8 COC(=O)[C@@H](N)CCSC 8166-5-S0 [1,1,0,0,0,0|2,0,0]=4 104 B9R0.8 COC(=O)[C@H](N)CCSC 8166-5-R0 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.47 C=CCCCC(N)C(=O)O 4357-1-05 [1,1,0,0,0,0|1,0,0]=3 106 B9R0.47 C=CC[Se]C[C@H](N)C(=O)O 9134-5-00 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.47 NCCCCC(N)C(=O)O 4157-1-0E [1,1,0,0,0,0|0,0,1]=3 108 B9R0.51 CC(N)(CCCN)C(=O)O 4157-1-0K [1,1,0,0,0,0|0,0,1]=3 109 B9R0.51 CC(N)(CCCN)C(=O)O 4157-5-09 [1,1,0,0,0,0|0,0,1]=3 110 B9R0.1 COC(=O)CCCC(=O)Cl 2123-5-0Y [1,1,0,0,0,0|1,0,0]=3 111 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [1,1,0,0,0,0|1,0,0]=3 112 B9R0.1 COC(=O)CCC[N+](=O)[O-] 4154-1-0D [1,1,0,0,0,0|2,0,0]=4 113 B9R0.1 O=C(O)CCNC(=O)CCl 4158-5-32 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [1,1,0,0,0,0|2,0,0]=4 116 B9R0.53 O=C(O)CC(=O)CC(=O)O 2129-1-25 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.56 NS(=O)(=O)CCCC(=O)O 8169-1-06 [1,1,0,0,0,0|1,0,0]=3 118 B9R0.56 O=C(O)CCCP(=O)(O)O 6177-1-26 [1,1,0,0,0,0|2,0,0]=4 119 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,1,0,0,1,0|2,0,0]=4 120 B9R0.57 NC(CP(=O)(O)O)C(=O)O 8177-1-08 [0,1,0,0,1,0|2,0,0]=4 121 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 8164-1-R0 [0,1,0,0,1,0|2,0,0]=4 122 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,1,0,0,1,0|2,0,0]=4 123 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,1,0,0,1,0|1,0,0]=3 124 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,1,0,0,1,0|1,0,0]=3 125 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,1,0,0,1,0|1,0,0]=3 126 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O 2121-9-09 [0,1,0,0,1,0|2,0,0]=4 127 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O 4157-5-0C [0,1,0,0,0,1|1,0,0]=3 128 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O 4157-5-0D [0,1,0,0,0,1|1,0,0]=3 129 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC 4158-1-SC [0,2,0,0,0,0|1,0,0]=3 130 B9R1.6 O=C(O)C1CCC=CO1 2H21-1-17 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.6 O=C(O)C1CCCNC1 4H57-1-W6 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.6 O=C(O)[C@@H]1CCCCN1 4H58-1-SE [1,0,0,1,0,0|1,0,1]=4 133 B9R1.6 O=C(O)[C@H]1CCCNC1 4H57-1-S1 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.35 CC(=O)C1CCC(=O)O1 2H25-1-36 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [1,0,0,1,0,0|0,0,0]=2 139 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [1,0,0,1,0,0|2,0,0]=4 140 B9R1.35 O=C1NC(C(=O)O)CO1 4H58-1-346 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.35 O=C1NCC(C(=O)O)N1 4H29-1-1Q [1,0,0,1,0,0|1,0,0]=3 142 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 4H58-1-R15 [1,0,0,1,0,0|1,0,0]=3 143 B9R1.35 O=C1N[C@H](C(=O)O)CO1 4H58-1-S15 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.93 C=CC1CC1(N)C(=O)O 4357-1-03 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO 4257-1-0E [1,0,0,1,0,0|0,0,2]=4 146 B9R1.110 NC(C(=O)O)C1COC1 4H57-1-71 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-1-06 [1,0,0,1,0,0|1,0,1]=4 148 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H21-1-TA [1,0,0,1,0,0|1,0,1]=4 149 B9R1.163 NC1(C(=O)O)CCCC1 4257-1-04 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.163 NC1(C(=O)O)CCOC1 4H57-1-05 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.163 N[C@]1(C(=O)O)CCNC1 4H57-5-08 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.1 O=C1CCC(CO)CN1 4H48-1-CG [1,0,0,1,0,0|1,0,1]=4 153 B9R1.1 O=CC1CCC(=O)CC1 2217-1-0T [1,0,0,1,0,0|2,0,0]=4 154 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-1-08 [1,0,0,1,0,0|1,0,1]=4 155 B9R1.66 O=C1CCCS(=O)(=O)N1 8H69-1-Y2 [1,0,0,1,0,0|1,0,1]=4 156 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,0,0,1,1,0|2,0,0]=4 157 B11R1.704 [C@H]1([C@H](N)C(=O)O)C[C@H]1C(=O)O 4257-1-0D [0,0,0,1,0,1|1,0,0]=3 158 B11R1.22 COC(=O)C1CCC(=O)CC1 2229-1-1B [0,1,0,1,0,0|2,0,0]=4 159 B11R1.22 COC(=O)C1CCC(=O)NC1 4H58-1-A2 [0,1,0,1,0,0|1,0,0]=3 160 B7R0.16 CC(=O)C(Cl)C(N)=O 4148-5-16 [0,0,0,0,2,0|2,0,0]=4 161 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,0,0,0,2,0|2,0,0]=4 162 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,0,0,0,2,0|2,0,0]=4 163 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [1,0,0,0,0,1|1,0,0]=3 164 B9R0.55 NC(=O)CSSCC(N)=O 8166-1-06 [1,0,0,0,0,1|2,0,0]=4 165 B9R0.55 O=C(O)C\C=C\CC(=O)O 2321-1-0J [1,0,0,0,0,1|1,0,1]=4 166 B9R0.55 O=C(O)\C=C\CCC(=O)O 2321-1-23 [1,0,0,0,0,1|1,0,1]=4 167 B11R0.29 N=C(N)NCCCC(N)C(=O)O 4157-5-0A [0,0,0,0,0,2|1,0,0]=3 168 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O 4157-5-R7 [0,0,0,0,0,2|1,0,0]=3 169 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O 8164-1-08 [0,0,0,0,0,2|1,0,0]=3 170 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O 8166-1-R0 [0,0,0,0,0,2|1,0,0]=3