0 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 C=C(C)COC(C)=O 2324-1-0F [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C=C(Cl)CSC(C)=O 6366-5-00 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)NNC(C)=O 4139-1-02 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(=O)\C=C\C(=O)O 2329-1-08 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 O=C(Cl)CCC(=O)Cl 2116-5-18 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [0,0,0,0,0,0|0,0,0]=0 13 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 O=C([O-])CCC(=O)[O-] 2122-1-00 [0,0,0,0,0,0|0,0,2]=2 15 B6R0.4 C=CCCC(=O)O 2321-1-0D [1,0,0,0,0,0|1,0,0]=2 16 B6R0.4 C=CCC[C@H](C)O 2302-1-S1 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CC(=O)CCCBr 2117-9-0A [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(=O)OCC=O 2123-1-53 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CCCCC(=O)Br 2116-9-0A [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CCCCC(C)=O 2117-1-11 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCCCC(N)=O 4148-1-0P [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCNCC(=O)O 4158-1-76 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CCOCC(=O)O 2121-1-20 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CNCCC(=O)O 4157-1-11 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 COCCC(=O)Cl 2116-5-0C [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 COCCC(=O)O 2123-1-63 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CSCCC(=O)Cl 6166-5-01 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CSCCC(C)=O 6166-1-0J [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 N#CCCC(=O)O 4137-1-00 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 O=C(Cl)CCCBr 2116-D-01 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 O=C(O)CCCBr 2121-9-05 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.4 O=C([O-])CNCO 4158-1-62 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.9 CC(=O)OCC(=O)CCl 2129-5-0G [0,1,0,0,0,0|3,0,0]=4 34 B8R0.9 CNC(=O)\C=C/C(=O)O 4348-1-17 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.9 COC(=O)CCC(=O)Cl 2123-5-1D [0,1,0,0,0,0|1,0,0]=2 36 B8R0.9 COC(=O)CCC(N)=O 4148-1-1L [0,1,0,0,0,0|1,0,0]=2 37 B8R0.9 COC(=O)\C=C\C(=O)O 2323-1-35 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.9 COC(=O)\C=C\C(C)=O 2329-1-E0 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,1,0,0,0,0|1,0,0]=2 40 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.23 CC(C)C(N)CC(=O)O 4157-1-40 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,1,0,0,0,0|2,0,1]=4 44 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,1,0,0,0,0|2,0,1]=4 45 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-1-R40 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-5-10 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,1,0,0,0,0|0,0,0]=1 50 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,1,0,0,0,0|0,0,0]=1 52 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.23 C\C(=C\C(=O)O)C(=O)O 2321-1-Z3 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,1,0,0,0,0|0,0,0]=1 57 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.29 CC(C)(C)CCC(=O)O 2121-1-36 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.29 CC(C)(N)CCC(=O)O 4157-1-32 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.29 CC(C)(N)CCC(=O)O 4157-5-13 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl 2121-5-X2 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.29 O=C(O)CCP(=O)(O)O 6177-1-28 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.3 O=C1CCC(=O)CC1 2218-1-X2 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.3 O=C1CCC(=O)NC1 4H48-1-1E [0,0,0,1,0,0|2,0,0]=3 68 B8R1.3 O=C1CCC(O)CC1 2220-1-X3 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.3 O=C1CCC(O)CN1 4H20-1-29 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.23 C=C1CC(C(=O)Cl)C1 2316-5-04 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [0,0,0,1,0,0|2,0,1]=4 72 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.23 NC1CC(C(=O)O)C1 4257-1-29 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.23 NC1CC(C(=O)O)C1 4257-5-14 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-5-01 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 4257-5-07 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.23 O=C(O)C1CC(F)C1 2221-3-09 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.23 O=C(O)C1CC(O)C1 2229-1-89 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.35 O=C(O)CCC1CC1 2221-1-24 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.51 CC1(C)CCC(=O)O1 2H25-1-54 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.77 CC1(C)CC1C(=O)O 2221-1-0X [0,0,0,1,0,0|2,0,1]=4 82 B8R1.77 CC1(C)C[C@@H]1C(=O)O 2221-1-S0 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.77 O=C(O)C1CC1(Cl)Cl 2221-5-02 [0,0,0,1,0,0|2,0,1]=4 84 B6R0.2 CC(=O)SC(C)=O 6166-1-0H [0,0,0,0,1,0|3,0,0]=4 85 B6R0.2 CC(C)CC(=O)O 2121-1-18 [0,0,0,0,1,0|2,0,1]=4 86 B6R0.2 CC(Cl)CC(=O)O 2121-5-09 [0,0,0,0,1,0|2,0,1]=4 87 B6R0.2 CN(C)CC(=O)O 4158-1-41 [0,0,0,0,1,0|3,0,0]=4 88 B6R0.2 C[C@@H](N)CC(=O)O 4157-1-12 [0,0,0,0,1,0|2,0,1]=4 89 B6R0.2 C[C@H](N)CC(=O)O 4157-5-06 [0,0,0,0,1,0|2,0,1]=4 90 B6R0.2 NC(=O)CC(N)=O 4148-1-Y8 [0,0,0,0,1,0|2,0,0]=3 91 B6R0.2 NC(=O)C[N+](=O)[O-] 4154-1-03 [0,0,0,0,1,0|2,0,1]=4 92 B6R0.2 NC(=O)C[N+](=O)[O-] 4155-1-48 [0,0,0,0,1,0|2,0,1]=4 93 B6R0.2 O=C([O-])CC(=O)[O-] 2122-1-09 [0,0,0,0,1,0|0,0,2]=3 94 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [0,0,0,0,0,1|2,0,0]=3 95 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [0,0,0,0,0,1|1,0,0]=2 96 B8R0.28 CC(=O)OCOC(C)=O 2123-1-27 [0,0,0,0,0,1|3,0,0]=4 97 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [0,0,0,0,0,1|2,0,1]=4 98 B8R0.28 NC(=O)CCC[N+](=O)[O-] 4148-1-46 [0,0,0,0,0,1|2,0,1]=4 99 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [0,0,0,0,0,1|1,0,0]=2 100 B8R0.28 O=C(Cl)CCCC(=O)Cl 2126-5-X0 [0,0,0,0,0,1|2,0,0]=3 101 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [0,0,0,0,0,1|0,0,0]=1 102 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [0,0,0,0,0,1|0,0,0]=1 103 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [0,0,0,0,0,1|0,0,0]=1 104 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-10 [0,0,0,0,0,1|0,0,1]=2 105 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-19 [0,0,0,0,0,1|0,0,1]=2 106 B5R0.1 C=C(Br)CCO 2301-9-00 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 C=CCC(=O)Cl 2316-5-09 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.1 CC(=O)NCO 4148-1-29 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 C[C@H](O)CCO 2104-1-S0 [2,0,0,0,0,0|1,0,1]=4 110 B5R0.1 NCCC(=O)O 4157-1-00 [2,0,0,0,0,0|1,0,0]=3 111 B5R0.1 O=C(O)CCCl 2121-5-08 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.1 O=C(O)CCF 2121-3-40 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.1 O=C(O)CCI 2121-H-02 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 O=C(O)CCO 2129-1-06 [2,0,0,0,0,0|0,0,0]=2 115 B5R0.1 O=C(O)CCS 6161-1-02 [2,0,0,0,0,0|0,1,0]=3 116 B5R0.1 O=C(O)\C=C/Br 2321-9-Z0 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.1 O=C(O)\C=C\Cl 2321-5-E1 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 O=C(O)\C=C\I 2321-H-00 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 O=[N+]([O-])CCO 4154-1-02 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.2 C=CCNC=O 4348-1-06 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.2 O=CCCCF 2115-3-24 [2,0,0,0,0,0|1,0,1]=4 122 B7R0.2 CC(CN)CC(=O)O 4157-5-12 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.2 CCC(C)CC(=O)O 2121-1-00 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.2 CCC(N)CC(=O)O 4157-1-20 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.2 CC[C@@H](N)CC(=O)O 4156-5-R2 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.2 CC[C@H](C)CC(=O)O 2121-1-S4 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.2 NCC(O)CC(=O)O 4157-1-14 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.3 C#CCCC(=O)OC 2523-1-06 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.3 CNCCC(=O)OC 4158-1-78 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.3 COC(=O)CCC#N 4137-1-0H [1,1,0,0,0,0|1,0,1]=4 131 B7R0.3 COC(=O)CCC=O 2123-1-29 [1,1,0,0,0,0|0,0,0]=2 132 B7R0.3 COCCC(=O)OC 2123-1-0T [1,1,0,0,0,0|2,0,0]=4 133 B7R0.3 NNC(=O)CCCO 4156-1-52 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.4 C=CCCCC(=O)O 2321-1-0P [1,1,0,0,0,0|1,0,0]=3 135 B7R0.4 C=CCCOC(C)=O 2323-1-1E [1,1,0,0,0,0|2,0,0]=4 136 B7R0.4 CC(=O)NCCCO 4156-1-Y9 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,1,0,0,0,0|1,0,1]=4 139 B7R0.4 COCCCC(=O)O 2121-1-51 [1,1,0,0,0,0|0,0,1]=3 140 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.4 N#CCCCC(=O)O 4137-1-0M [1,1,0,0,0,0|1,0,1]=4 142 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.4 NOCCCC(=O)O 4147-9-01 [1,1,0,0,0,0|0,0,1]=3 144 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.4 O=C(O)COCCCl 2121-5-01 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.4 O=C([O-])CCCCO 2129-1-1E [1,1,0,0,0,0|0,0,2]=4 147 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,1,0,0,0,0|1,0,1]=4 152 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,1,0,0,0,0|1,0,1]=4 153 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,1,0,0,0,0|1,0,1]=4 154 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [1,1,0,0,0,0|2,0,0]=4 156 B7R0.5 COCC(N)C(=O)O 4157-1-18 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [1,1,0,0,0,0|0,0,1]=3 160 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [1,1,0,0,0,0|1,0,1]=4 164 B7R0.9 O=C(O)CP(=O)(O)O 6177-1-27 [0,1,0,0,1,0|1,0,0]=3 165 B7R0.16 CC(=O)C(Cl)C(N)=O 4148-5-16 [0,1,0,0,1,0|2,0,0]=4 166 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,1,0,0,1,0|0,0,0]=2 167 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [0,1,0,0,1,0|1,0,1]=4 168 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,1,0,0,1,0|0,0,0]=2 169 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [0,1,0,0,1,0|1,0,1]=4 170 B9R0.1 COC(=O)CCCC(=O)Cl 2123-5-0Y [0,1,0,0,0,1|1,0,0]=3 171 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [0,1,0,0,0,1|0,0,0]=2 172 B9R0.1 COC(=O)CCC[N+](=O)[O-] 4154-1-0D [0,1,0,0,0,1|1,0,1]=4 173 B9R0.1 O=C(O)CCNC(=O)CCl 4158-5-32 [0,1,0,0,0,1|1,0,0]=3 174 B9R0.7 C=C(CCC(=O)O)C(=O)O 2321-1-09 [0,1,0,0,0,1|0,0,0]=2 175 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,1,0,0,0,1|1,0,0]=3 176 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,1,0,0,0,1|1,0,0]=3 177 B9R0.7 CC(=O)SCC(C)C(N)=O 8169-1-09 [0,1,0,0,0,1|2,0,0]=4 178 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,1,0,0,0,1|0,0,0]=2 179 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,1,0,0,0,1|0,0,0]=2 180 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,1,0,0,0,1|0,0,0]=2 181 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 4157-1-R7 [0,1,0,0,0,1|1,0,0]=3 182 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 4157-1-W3 [0,1,0,0,0,1|1,0,0]=3 183 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,1,0,0,0,1|0,0,0]=2 184 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,1,0,0,0,1|0,0,0]=2 185 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,1,0,0,0,1|0,0,0]=2 186 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 2129-1-69 [0,1,0,0,0,1|0,0,2]=4 187 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,1,0,0,0,1|1,0,0]=3 188 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,1,0,0,0,1|0,0,0]=2 189 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [0,1,0,0,0,1|0,0,0]=2 190 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [0,1,0,0,0,1|0,0,0]=2 191 B9R0.53 O=C(O)CC(=O)CC(=O)O 2129-1-25 [0,1,0,0,0,1|0,0,0]=2 192 B9R0.56 CS(=O)(=O)SCCC(=O)O 6166-1-X0 [0,1,0,0,0,1|1,0,1]=4 193 B9R0.56 NS(=O)(=O)CCCC(=O)O 8169-1-06 [0,1,0,0,0,1|1,0,1]=4 194 B9R0.56 O=C(O)CCCP(=O)(O)O 6177-1-26 [0,1,0,0,0,1|1,0,0]=3 195 B9R0.21 COC(=O)CCS(=O)(=O)Cl 6162-5-03 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.24 COC(=O)CCC(=O)CN 4158-5-00 [0,2,0,0,0,0|1,0,0]=3 197 B9R0.24 COC(=O)CCC(=O)OC 2123-1-0Z [0,2,0,0,0,0|0,0,0]=2 198 B9R0.24 COC(=O)NNC(=O)OC 4148-1-06 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.24 COC(=O)\C=C\C(=O)OC 2323-1-16 [0,2,0,0,0,0|0,0,2]=4 200 B9R0.42 CC(NC(=O)CN)C(=O)O 4157-1-25 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 4157-1-R9 [0,2,0,0,0,0|1,0,0]=3 202 B9R0.42 [C@@H](C)(NC(=O)CCl)C(=O)O 4158-5-34 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [0,2,0,0,0,0|0,0,0]=2 204 B9R0.48 CCOC(=O)CNC(C)=O 4158-1-25 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.48 CCOC(=O)CNC(N)=O 4153-1-04 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.39 CC(=O)NC(CO)C(=O)O 4158-1-Y2 [0,2,0,0,0,0|2,0,0]=4 207 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,2,0,0,0,0|0,0,0]=2 208 B9R0.57 NC(CP(=O)(O)O)C(=O)O 8177-1-08 [0,2,0,0,0,0|1,0,0]=3 209 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 8164-1-R0 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,2,0,0,0,0|0,0,0]=2 211 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 4156-1-46 [0,2,0,0,0,0|1,0,1]=4 212 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O 4157-1-45 [0,2,0,0,0,0|1,0,1]=4 213 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,2,0,0,0,0|0,0,0]=2 214 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,2,0,0,0,0|0,0,0]=2 215 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,2,0,0,0,0|0,0,0]=2 216 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O 2121-9-09 [0,2,0,0,0,0|0,0,0]=2 217 B9R0.77 O=P(O)(O)CCP(=O)(O)O 6177-1-24 [0,2,0,0,0,0|2,0,0]=4 218 B7R1.2 O=C1C=C(O)CO1 2H20-1-33 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.2 O=C1CNC(=O)S1 8H70-1-22 [1,0,0,1,0,0|1,1,0]=4 220 B7R1.2 O=C1CSC(=O)N1 8H18-1-X1 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.10 O=C1CC(CO)C1 2217-1-29 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.10 O=C1CC(CO)N1 4H48-1-QC [1,0,0,1,0,0|1,0,1]=4 223 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-26 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I 2221-H-01 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-20 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-E0 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 2221-3-27 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.12 O=C(O)[C@H]1C[C@H]1F 2221-3-19 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.12 O=C(O)[C@H]1C[C@H]1I 2221-H-R1 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,1,0,0|1,0,1]=4 234 B9R1.35 CC(=O)C1CCC(=O)O1 2H25-1-36 [0,0,0,1,0,1|1,0,0]=3 235 B9R1.35 NC(=O)C1CNC(=O)C1 4H48-1-00Y [0,0,0,1,0,1|2,0,0]=4 236 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,0,0,1,0,1|1,0,1]=4 237 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,0,0,1,0,1|1,0,1]=4 238 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,1,0,1|1,0,0]=3 239 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [0,0,0,1,0,1|1,0,0]=3 240 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,1,0,1|1,0,0]=3 241 B9R1.35 O=C1NC(C(=O)O)CO1 4H58-1-346 [0,0,0,1,0,1|1,0,0]=3 242 B9R1.35 O=C1NCC(C(=O)O)N1 4H29-1-1Q [0,0,0,1,0,1|1,0,0]=3 243 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 4H58-1-R15 [0,0,0,1,0,1|1,0,0]=3 244 B9R1.35 O=C1N[C@H](C(=O)O)CO1 4H58-1-S15 [0,0,0,1,0,1|1,0,0]=3 245 B9R1.53 CC(=O)OC1CC(=O)C1 2H29-1-32 [0,0,0,1,0,1|2,0,0]=4 246 B9R1.82 C=C1CC(C(=O)OC)C1 2323-1-39 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 2H23-1-E0 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 2229-1-36 [0,1,0,1,0,0|1,0,1]=4 249 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 2221-1-Z0 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,1,0,1,0,0|1,0,1]=4 252 B5R0.5 C=C(C)C(=O)O 2321-1-02 [0,0,0,0,2,0|2,0,0]=4 253 B5R0.5 CC(=O)C(=O)[O-] 2122-1-14 [0,0,0,0,2,0|1,0,1]=4 254 B5R0.5 C[C@@H](O)C(=O)O 2129-1-R8 [0,0,0,0,2,0|1,0,1]=4 255 B5R0.5 NC(=O)C(=O)O 4157-1-60 [0,0,0,0,2,0|1,0,0]=3 256 B5R0.5 O=C(Br)C(=O)Br 2116-8-00 [0,0,0,0,2,0|2,0,0]=4 257 B5R0.5 O=C(F)C(=O)F 2116-2-18 [0,0,0,0,2,0|2,0,0]=4 258 B5R0.5 O=C(O)C(=O)O 2122-1-10 [0,0,0,0,2,0|0,0,0]=2 259 B5R0.5 O=C(O)C(=O)O 4H30-1-7V [0,0,0,0,2,0|0,0,0]=2 260 B5R0.5 O=C([O-])C(=O)[O-] M062-1-03 [0,0,0,0,2,0|0,0,2]=4 261 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [0,0,0,0,0,2|1,0,0]=3 262 B9R0.55 CC(=O)NCCNC(C)=O 4148-1-27 [0,0,0,0,0,2|2,0,0]=4 263 B9R0.55 CC(=O)NCCOC(C)=O 4158-1-27 [0,0,0,0,0,2|2,0,0]=4 264 B9R0.55 NC(=O)CSSCC(N)=O 8166-1-06 [0,0,0,0,0,2|2,0,0]=4 265 B9R0.55 O=C(O)C\C=C\CC(=O)O 2321-1-0J [0,0,0,0,0,2|0,0,0]=2 266 B9R0.55 O=C(O)\C=C\C=C\C(=O)O 2321-1-0T [0,0,0,0,0,2|0,0,2]=4 267 B9R0.55 O=C(O)\C=C\CCC(=O)O 2321-1-23 [0,0,0,0,0,2|0,0,0]=2