0 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 C=C(C)COC(C)=O 2324-1-0F [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 C=C(Cl)CSC(C)=O 6366-5-00 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(=O)NNC(C)=O 4139-1-02 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 CC(=O)OCC(C)F 2123-3-0L [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(=O)ON=C(C)C 4156-1-59 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 CC(=O)\C=C\C(=O)O 2329-1-08 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 CC(C)CCB(O)O 6160-1-0B [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 CC(C)CCC(=N)N 3141-1-00 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.6 CC(C)CCC(C)O 2102-1-0C [0,0,0,0,0,0|2,0,2]=4 12 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 CC(F)COC(=O)Cl 2123-7-0B [0,0,0,0,0,0|3,0,1]=4 14 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [0,0,0,0,0,0|1,0,3]=4 16 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [0,0,0,0,0,0|1,0,3]=4 17 B7R0.6 O=C(Cl)CCC(=O)Cl 2116-5-18 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 O=C([O-])CCC(=O)[O-] 2122-1-00 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.4 C#CCOC(C)=O 2523-1-01 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 C=C(Br)CCCC 1300-9-19 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 C=C(C)CCC#N 3337-1-X7 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 C=CCCC(=O)O 2321-1-0D [1,0,0,0,0,0|0,0,1]=2 25 B6R0.4 C=CCC[C@H](C)O 2302-1-S1 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 CC(=O)CCCBr 2117-9-0A [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 CC(=O)OCC=O 2123-1-53 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.4 CC(=O)OCCBr 2123-9-24 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CC(=O)OCCCl 2123-5-0M [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CC(=O)SCC#N 8166-1-X0 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CC(F)COC=O 2123-3-0J [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCCC(=N)N 3141-1-03 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCCCC(=O)Br 2116-9-0A [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 CCCCC(C)=O 2117-1-11 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.4 CCCCC(C)O 2102-1-07 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.4 CCCCC(N)=O 4148-1-0P [1,0,0,0,0,0|1,0,1]=3 37 B6R0.4 CCCC[C@H](C)O 2102-1-S0 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 CCCNC(N)=O 4153-1-00 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CCCOC(=O)Cl 2116-5-30 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CCCOC(N)=O 4156-1-2G [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CCCSC(C)=O 6166-1-0A [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 CCNCC(=O)O 4158-1-76 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.4 CCOCC(=O)O 2121-1-20 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [1,0,0,0,0,0|0,0,3]=4 45 B6R0.4 CNCCC(=O)O 4157-1-11 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.4 COCCC(=O)Cl 2116-5-0C [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 COCCC(=O)O 2123-1-63 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.4 COCCC(C)O 2107-1-13 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 CO\N=C\C(=O)O 4135-1-01 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 CSCCC(=O)Cl 6166-5-01 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.4 CSCCC(C)=O 6166-1-0J [1,0,0,0,0,0|2,0,0]=3 52 B6R0.4 N#CCCC(=O)O 4137-1-00 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.4 O=C(Cl)CCCBr 2116-D-01 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 O=C(O)CCCBr 2121-9-05 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.4 O=C([O-])CNCO 4158-1-62 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.9 CC(=O)OCC(=O)CCl 2129-5-0G [0,1,0,0,0,0|2,0,0]=3 57 B8R0.9 CC(F)COC(=O)CO 2129-3-0M [0,1,0,0,0,0|2,0,1]=4 58 B8R0.9 CCC(Cl)CCC(=O)Cl 2116-5-23 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.9 CNC(=O)\C=C/C(=O)O 4348-1-17 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.9 COC(=O)CCC(=O)Cl 2123-5-1D [0,1,0,0,0,0|1,0,0]=2 61 B8R0.9 COC(=O)CCC(N)=O 4148-1-1L [0,1,0,0,0,0|1,0,0]=2 62 B8R0.9 COC(=O)OCC(C)F 2128-3-0J [0,1,0,0,0,0|2,0,1]=4 63 B8R0.9 COC(=O)\C=C\C(=O)O 2323-1-35 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.9 COC(=O)\C=C\C(C)=O 2329-1-E0 [0,1,0,0,0,0|0,0,2]=3 65 B8R0.9 C\C(CCC(C)C)=N/O 4147-1-0C [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,1,0,0,0,0|0,0,0]=1 67 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.23 CC(C)C(N)CC(=O)O 4157-1-40 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,1,0,0,0,0|1,0,1]=3 70 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,1,0,0,0,0|1,0,1]=3 71 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,1,0,0,0,0|1,0,1]=3 72 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,1,0,0,0,0|1,0,1]=3 74 B8R0.23 CC(C)C[C@H](N)C(N)=O 4158-5-02 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-1-R40 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-5-10 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,1,0,0,0,0|1,0,0]=2 78 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.23 C\C(=C\C(=O)O)C(=O)O 2321-1-Z3 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,1,0,0,0,0|1,0,0]=2 85 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.29 CC(C)(C)CCC(=O)O 2121-1-36 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.29 CC(C)(N)CCC(=O)O 4157-1-32 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.29 CC(C)(N)CCC(=O)O 4157-5-13 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl 2121-5-X2 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.29 O=C(O)CCP(=O)(O)O 6177-1-28 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.3 CC1CCC(=O)CC1 2217-1-X3 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.3 NC1CCC(=O)CC1 4256-1-01 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.3 NC1CCC(=O)CC1 4256-5-56 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.3 NC1CCC(=O)NC1 4H48-5-66 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.3 O=C1CCC(=O)CC1 2218-1-X2 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.3 O=C1CCC(=O)NC1 4H48-1-1E [0,0,0,1,0,0|1,0,0]=2 100 B8R1.3 O=C1CCC(O)CC1 2220-1-X3 [0,0,0,1,0,0|1,0,1]=3 101 B8R1.3 O=C1CCC(O)CN1 4H20-1-29 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.23 C=C1CC(C(=O)Cl)C1 2316-5-04 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.23 CC(=O)N1CC(O)C1 4H48-1-LQ [0,0,0,1,0,0|2,0,1]=4 104 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [0,0,0,1,0,0|1,0,1]=3 105 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [0,0,0,1,0,0|1,0,1]=3 106 B8R1.23 NC1CC(C(=O)O)C1 4257-1-29 [0,0,0,1,0,0|1,0,1]=3 107 B8R1.23 NC1CC(C(=O)O)C1 4257-5-14 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-5-01 [0,0,0,1,0,0|1,0,1]=3 109 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 4257-5-07 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.23 O=C(O)C1CC(F)C1 2221-3-09 [0,0,0,1,0,0|1,0,1]=3 111 B8R1.23 O=C(O)C1CC(O)C1 2229-1-89 [0,0,0,1,0,0|0,0,2]=3 112 B8R1.35 O=C(O)CCC1CC1 2221-1-24 [0,0,0,1,0,0|1,0,1]=3 113 B8R1.51 CC1(C)CCC(=O)N1 4H48-1-052 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.51 CC1(C)CCC(=O)O1 2H25-1-54 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.51 CC1(C)COC(=O)O1 2H28-1-16 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.51 CC1(O)CNC(=O)C1 4H48-1-72 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.77 CC1(C)CC1C(=O)O 2221-1-0X [0,0,0,1,0,0|1,0,1]=3 118 B8R1.77 CC1(C)CC1C(N)=O 4248-1-07 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.77 CC1(C)C[C@@H]1C(=O)O 2221-1-S0 [0,0,0,1,0,0|1,0,1]=3 120 B8R1.77 O=C(O)C1CC1(Cl)Cl 2221-5-02 [0,0,0,1,0,0|2,0,1]=4 121 B6R0.2 CC(=O)NC(N)=S 8167-1-X2 [0,0,0,0,1,0|2,1,0]=4 122 B6R0.2 CC(=O)SC(C)=O 6166-1-0H [0,0,0,0,1,0|2,0,0]=3 123 B6R0.2 CC(=O)\C=C(\C)[O-] 2320-1-02 [0,0,0,0,1,0|1,0,2]=4 124 B6R0.2 CC(=O)\C=C(\C)[O-] 2322-1-06 [0,0,0,0,1,0|1,0,2]=4 125 B6R0.2 CC(=O)\C=C(\C)[O-] 9126-1-X0 [0,0,0,0,1,0|1,0,2]=4 126 B6R0.2 CC(=O)\C=C(\C)[O-] 9160-1-X0 [0,0,0,0,1,0|1,0,2]=4 127 B6R0.2 CC(=O)\C=C(\C)[O-] 9182-1-X0 [0,0,0,0,1,0|1,0,2]=4 128 B6R0.2 CC(=O)\[C-]=C(/C)[O-] 9118-1-01 [0,0,0,0,1,0|1,0,2]=4 129 B6R0.2 CC(C)=CC(=O)Cl 2316-5-05 [0,0,0,0,1,0|2,0,1]=4 130 B6R0.2 CC(C)CC(=O)O 2121-1-18 [0,0,0,0,1,0|1,0,1]=3 131 B6R0.2 CC(Cl)CC(=O)O 2121-5-09 [0,0,0,0,1,0|1,0,1]=3 132 B6R0.2 CN(C)CC(=O)O 4158-1-41 [0,0,0,0,1,0|2,0,0]=3 133 B6R0.2 C[C@@H](N)CC(=O)O 4157-1-12 [0,0,0,0,1,0|1,0,1]=3 134 B6R0.2 C[C@H](N)CC(=O)O 4157-5-06 [0,0,0,0,1,0|1,0,1]=3 135 B6R0.2 NC(=O)CC(N)=O 4148-1-Y8 [0,0,0,0,1,0|2,0,0]=3 136 B6R0.2 NC(=O)C[N+](=O)[O-] 4154-1-03 [0,0,0,0,1,0|2,0,1]=4 137 B6R0.2 NC(=O)C[N+](=O)[O-] 4155-1-48 [0,0,0,0,1,0|2,0,1]=4 138 B6R0.2 O=C([O-])CC(=O)[O-] 2122-1-09 [0,0,0,0,1,0|1,0,1]=3 139 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [0,0,0,0,0,1|1,0,0]=2 140 B8R0.28 C=C(C)CNCC(=C)C 3331-1-02 [0,0,0,0,0,1|3,0,0]=4 141 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [0,0,0,0,0,1|0,0,0]=1 142 B8R0.28 CC(=O)CCCC(C)C 2117-1-0E [0,0,0,0,0,1|2,0,1]=4 143 B8R0.28 CC(=O)CCCN(C)C 4156-1-51 [0,0,0,0,0,1|3,0,0]=4 144 B8R0.28 CC(=O)CCOC(C)C 2117-1-0F [0,0,0,0,0,1|2,0,1]=4 145 B8R0.28 CC(=O)COCC(C)F 2117-3-1F [0,0,0,0,0,1|2,0,1]=4 146 B8R0.28 CC(=O)COCC(F)F 2117-3-1L [0,0,0,0,0,1|2,0,1]=4 147 B8R0.28 CC(=O)OCC=C(C)C 2323-1-0B [0,0,0,0,0,1|2,0,1]=4 148 B8R0.28 CC(=O)OCC=C(F)F 2324-3-97 [0,0,0,0,0,1|2,0,1]=4 149 B8R0.28 CC(=O)OCCN(C)C 4132-1-05 [0,0,0,0,0,1|3,0,0]=4 150 B8R0.28 CC(=O)OCOC(C)=O 2123-1-27 [0,0,0,0,0,1|2,0,0]=3 151 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [0,0,0,0,0,1|1,0,1]=3 152 B8R0.28 CC(C)CCOC(=O)Cl 2116-5-27 [0,0,0,0,0,1|2,0,1]=4 153 B8R0.28 CN(C)C\C=C\C(=O)O 4358-5-32 [0,0,0,0,0,1|2,0,1]=4 154 B8R0.28 NC(=O)CCC[N+](=O)[O-] 4148-1-46 [0,0,0,0,0,1|2,0,1]=4 155 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [0,0,0,0,0,1|1,0,0]=2 156 B8R0.28 O=C(Cl)CCCC(=O)Cl 2126-5-X0 [0,0,0,0,0,1|2,0,0]=3 157 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [0,0,0,0,0,1|1,0,0]=2 158 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [0,0,0,0,0,1|1,0,0]=2 159 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [0,0,0,0,0,1|1,0,0]=2 160 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-10 [0,0,0,0,0,1|1,0,1]=3 161 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-19 [0,0,0,0,0,1|1,0,1]=3 162 B5R0.1 C=C(Br)CCC 1300-9-18 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.1 C=C(Br)CCO 2301-9-00 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.1 C=CCC(=O)Cl 2316-5-09 [2,0,0,0,0,0|1,0,1]=4 165 B5R0.1 C=CNC(C)=O 4348-1-09 [2,0,0,0,0,0|1,0,1]=4 166 B5R0.1 CC(=O)NCO 4148-1-29 [2,0,0,0,0,0|1,0,0]=3 167 B5R0.1 CC(C)=CC=O 2315-1-00 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.1 CCNC(C)=O 4148-1-22 [2,0,0,0,0,0|1,0,1]=4 169 B5R0.1 CCOC(=O)Cl 2123-5-02 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.1 CCSC(C)=O 6166-1-0D [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 C[C@H](O)CCO 2104-1-S0 [2,0,0,0,0,0|0,0,2]=4 172 B5R0.1 C\C=C\C(=O)Cl 2316-5-08 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.1 NCCC(=O)O 4157-1-00 [2,0,0,0,0,0|1,0,0]=3 174 B5R0.1 O=C(O)CCCl 2121-5-08 [2,0,0,0,0,0|1,0,0]=3 175 B5R0.1 O=C(O)CCF 2121-3-40 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.1 O=C(O)CCI 2121-H-02 [2,0,0,0,0,0|1,0,0]=3 177 B5R0.1 O=C(O)CCO 2129-1-06 [2,0,0,0,0,0|0,0,1]=3 178 B5R0.1 O=C(O)CCS 6161-1-02 [2,0,0,0,0,0|0,1,0]=3 179 B5R0.1 O=C(O)\C=C/Br 2321-9-Z0 [2,0,0,0,0,0|1,0,1]=4 180 B5R0.1 O=C(O)\C=C\Cl 2321-5-E1 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.1 O=C(O)\C=C\I 2321-H-00 [2,0,0,0,0,0|1,0,1]=4 182 B5R0.1 O=[N+]([O-])CCO 4154-1-02 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.2 C=CCNC=O 4348-1-06 [2,0,0,0,0,0|1,0,1]=4 184 B5R0.2 CCCOC=O 2123-1-91 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.2 CNCCCO 4156-1-66 [2,0,0,0,0,0|1,0,1]=4 186 B5R0.2 COCCCO 2107-1-02 [2,0,0,0,0,0|1,0,1]=4 187 B5R0.2 O=CCCCF 2115-3-24 [2,0,0,0,0,0|1,0,1]=4 188 B7R0.2 C=CC(C)OC(C)=O 2323-1-1F [1,1,0,0,0,0|2,0,0]=4 189 B7R0.2 CC(CN)CC(=O)O 4157-5-12 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.2 CCC(=O)CC(=O)O 2129-1-1N [1,1,0,0,0,0|0,0,2]=4 191 B7R0.2 CCC(C)CC(=O)O 2121-1-00 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.2 CCC(N)CC(=O)O 4157-1-20 [1,1,0,0,0,0|0,0,1]=3 193 B7R0.2 CC[C@@H](N)CC(=O)O 4156-5-R2 [1,1,0,0,0,0|0,0,1]=3 194 B7R0.2 CC[C@H](C)CC(=O)O 2121-1-S4 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.2 COC(=O)CC(=O)O 2123-1-85 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.2 NCC(O)CC(=O)O 4157-1-14 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.3 C#CCCC(=O)OC 2523-1-06 [1,1,0,0,0,0|0,0,2]=4 198 B7R0.3 C=CCOC(=O)CCl 2323-5-05 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.3 CCCCC(=O)CC 2117-1-03 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.3 CCNCC(=O)OC 4158-5-0Q [1,1,0,0,0,0|1,0,1]=4 201 B7R0.3 CNCCC(=O)OC 4158-1-78 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.3 COC(=O)CCC#N 4137-1-0H [1,1,0,0,0,0|1,0,1]=4 203 B7R0.3 COC(=O)CCC=O 2123-1-29 [1,1,0,0,0,0|0,0,0]=2 204 B7R0.3 COCCC(=O)OC 2123-1-0T [1,1,0,0,0,0|1,0,0]=3 205 B7R0.3 NNC(=O)CCCO 4156-1-52 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.4 C=CCCCC(=O)O 2321-1-0P [1,1,0,0,0,0|0,0,1]=3 207 B7R0.4 C=CCCOC(C)=O 2323-1-1E [1,1,0,0,0,0|1,0,0]=3 208 B7R0.4 CC(=O)CCCC#N 4137-1-0V [1,1,0,0,0,0|1,0,1]=4 209 B7R0.4 CC(=O)CCCCCl 2117-5-05 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.4 CC(=O)COCCBr 2117-9-07 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.4 CC(=O)COCCCl 2117-5-0B [1,1,0,0,0,0|1,0,1]=4 212 B7R0.4 CC(=O)NCCCN 4148-5-0D [1,1,0,0,0,0|1,0,1]=4 213 B7R0.4 CC(=O)NCCCO 4156-1-Y9 [1,1,0,0,0,0|0,0,1]=3 214 B7R0.4 CC(=O)OCCCCl 2123-5-0U [1,1,0,0,0,0|1,0,1]=4 215 B7R0.4 CC(=O)OCCCF 2123-3-1D [1,1,0,0,0,0|1,0,1]=4 216 B7R0.4 CC(C)=CCOC=O 2323-1-28 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.4 CCCCCC(C)=O 2117-1-14 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.4 CCCCCC(N)=O 4148-1-1F [1,1,0,0,0,0|1,0,1]=4 219 B7R0.4 CCCCOC(=O)Cl 2116-5-31 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.4 CCCCOC(N)=O 4156-1-2H [1,1,0,0,0,0|1,0,1]=4 221 B7R0.4 CCCCSC(C)=O 6166-1-0F [1,1,0,0,0,0|1,0,1]=4 222 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,1,0,0,0,0|0,0,1]=3 223 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,1,0,0,0,0|0,0,1]=3 224 B7R0.4 COCCCC(=O)O 2121-1-51 [1,1,0,0,0,0|0,0,1]=3 225 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,1,0,0,0,0|0,0,0]=2 226 B7R0.4 N#CCCCC(=O)O 4137-1-0M [1,1,0,0,0,0|0,0,2]=4 227 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,1,0,0,0,0|0,0,1]=3 228 B7R0.4 NOCCCC(=O)O 4147-9-01 [1,1,0,0,0,0|0,0,2]=4 229 B7R0.4 O=C(Cl)CCCCBr 2116-D-X0 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,1,0,0,0,0|0,0,1]=3 231 B7R0.4 O=C(O)COCCCl 2121-5-01 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.4 O=C([O-])CCCCO 2129-1-1E [1,1,0,0,0,0|0,0,2]=4 233 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [1,1,0,0,0,0|0,0,2]=4 234 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [1,1,0,0,0,0|0,0,2]=4 235 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [1,1,0,0,0,0|0,0,2]=4 236 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [1,1,0,0,0,0|0,0,1]=3 237 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,1,0,0,0,0|0,0,1]=3 238 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,1,0,0,0,0|0,0,1]=3 239 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,1,0,0,0,0|0,0,1]=3 240 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [1,1,0,0,0,0|1,0,0]=3 242 B7R0.5 COCC(N)C(=O)O 4157-1-18 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [1,1,0,0,0,0|1,0,0]=3 244 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [1,1,0,0,0,0|0,0,2]=4 246 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [1,1,0,0,0,0|1,0,1]=4 250 B7R0.8 CCCCP(=O)(O)O 6177-1-99 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.9 CC(=O)CC(C)(C)O 2120-1-07 [0,1,0,0,1,0|1,0,1]=4 252 B7R0.9 C[N+](C)(C)CC(=O)O 4158-5-20 [0,1,0,0,1,0|2,0,0]=4 253 B7R0.9 O=C(O)CP(=O)(O)O 6177-1-27 [0,1,0,0,1,0|2,0,0]=4 254 B7R0.16 CC(=O)C(Cl)C(N)=O 4148-5-16 [0,1,0,0,1,0|1,0,0]=3 255 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,1,0,0,1,0|1,0,0]=3 256 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [0,1,0,0,1,0|1,0,1]=4 257 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [0,1,0,0,1,0|1,0,1]=4 258 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [0,1,0,0,1,0|1,0,1]=4 259 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [0,1,0,0,1,0|1,0,1]=4 260 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [0,1,0,0,1,0|1,0,1]=4 261 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [0,1,0,0,1,0|0,0,2]=4 262 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,1,0,0,1,0|1,0,0]=3 263 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [0,1,0,0,1,0|0,0,2]=4 264 B9R0.1 COC(=O)CCCC(=O)Cl 2123-5-0Y [0,1,0,0,0,1|1,0,0]=3 265 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [0,1,0,0,0,1|0,0,0]=2 266 B9R0.1 COC(=O)CCC[N+](=O)[O-] 4154-1-0D [0,1,0,0,0,1|1,0,1]=4 267 B9R0.1 COC(=O)COCC(C)F 2123-3-6K [0,1,0,0,0,1|1,0,1]=4 268 B9R0.1 COC(C)CCOC(C)=O 2123-1-1E [0,1,0,0,0,1|1,0,1]=4 269 B9R0.1 O=C(O)CCNC(=O)CCl 4158-5-32 [0,1,0,0,0,1|0,0,0]=2 270 B9R0.7 C=C(CCC(=O)O)C(=O)O 2321-1-09 [0,1,0,0,0,1|1,0,0]=3 271 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,1,0,0,0,1|0,0,0]=2 272 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,1,0,0,0,1|0,0,0]=2 273 B9R0.7 CC(=O)SCC(C)C(N)=O 8169-1-09 [0,1,0,0,0,1|1,0,0]=3 274 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,1,0,0,0,1|1,0,0]=3 275 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,1,0,0,0,1|1,0,0]=3 276 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,1,0,0,0,1|1,0,0]=3 277 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [0,1,0,0,0,1|2,0,0]=4 278 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [0,1,0,0,0,1|2,0,0]=4 279 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 4157-1-R7 [0,1,0,0,0,1|1,0,0]=3 280 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 4157-1-W3 [0,1,0,0,0,1|1,0,0]=3 281 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,1,0,0,0,1|1,0,0]=3 282 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,1,0,0,0,1|1,0,0]=3 283 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,1,0,0,0,1|1,0,0]=3 284 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 2129-1-69 [0,1,0,0,0,1|1,0,1]=4 285 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,1,0,0,0,1|0,0,0]=2 286 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,1,0,0,0,1|1,0,0]=3 287 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [0,1,0,0,0,1|1,0,0]=3 288 B9R0.53 CN(C)CC(O)CC(=O)O 4129-1-X1 [0,1,0,0,0,1|2,0,0]=4 289 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [0,1,0,0,0,1|1,0,0]=3 290 B9R0.53 O=C(O)CC(=O)CC(=O)O 2129-1-25 [0,1,0,0,0,1|1,0,0]=3 291 B9R0.56 CC(C)(C)OCCC(=O)O 2121-1-10 [0,1,0,0,0,1|1,0,1]=4 292 B9R0.56 CS(=O)(=O)SCCC(=O)O 6166-1-X0 [0,1,0,0,0,1|1,0,0]=3 293 B9R0.56 CS(=O)(=O)SCCC(N)=O 8164-1-02 [0,1,0,0,0,1|2,0,0]=4 294 B9R0.56 NS(=O)(=O)CCCC(=O)O 8169-1-06 [0,1,0,0,0,1|2,0,0]=4 295 B9R0.56 O=C(O)CCCP(=O)(O)O 6177-1-26 [0,1,0,0,0,1|2,0,0]=4 296 B9R0.21 COC(=O)CCS(=O)(=O)Cl 6162-5-03 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.24 COC(=O)CCC(=O)CN 4158-5-00 [0,2,0,0,0,0|0,0,0]=2 298 B9R0.24 COC(=O)CCC(=O)OC 2123-1-0Z [0,2,0,0,0,0|0,0,0]=2 299 B9R0.24 COC(=O)NNC(=O)OC 4148-1-06 [0,2,0,0,0,0|2,0,0]=4 300 B9R0.24 COC(=O)\C=C\C(=O)OC 2323-1-16 [0,2,0,0,0,0|0,0,2]=4 301 B9R0.42 CC(NC(=O)CN)C(=O)O 4157-1-25 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 4157-1-R9 [0,2,0,0,0,0|0,0,0]=2 303 B9R0.42 [C@@H](C)(NC(=O)CCl)C(=O)O 4158-5-34 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.43 CCN(CC)CCC(=O)O 4158-5-03 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [0,2,0,0,0,0|0,0,0]=2 306 B9R0.48 CCOC(=O)CCC(C)C 2123-1-0W [0,2,0,0,0,0|1,0,1]=4 307 B9R0.48 CCOC(=O)CNC(C)=O 4158-1-25 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.48 CCOC(=O)CNC(N)=O 4153-1-04 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O 4157-1-R1 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl 2116-5-29 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.39 CC(=O)NC(CO)C(=O)O 4158-1-Y2 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 4157-5-08 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.57 CC(C)(C)CC(N)C(=O)O 4157-1-0F [0,2,0,0,0,0|1,0,1]=4 315 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 4157-1-R8 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 4157-3-S3 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.57 NC(CP(=O)(O)O)C(=O)O 8177-1-08 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 8164-1-R0 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,2,0,0,0,0|1,0,0]=3 320 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,2,0,0,0,0|1,0,1]=4 321 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 4156-1-46 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O 4157-1-45 [0,2,0,0,0,0|0,0,2]=4 323 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,2,0,0,0,0|1,0,0]=3 324 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,2,0,0,0,0|1,0,0]=3 325 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O 2121-9-09 [0,2,0,0,0,0|1,0,0]=3 327 B7R1.2 CC1=CC(=O)CO1 2H17-1-80 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.2 CC1COC(=O)O1 2H28-1-01 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.2 C[C@@H]1COC(=O)O1 2H26-1-R1 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.2 C[C@H]1COC(=O)O1 2H28-1-S1 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.2 O=C1C=C(O)CO1 2H20-1-33 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.2 O=C1CNC(=O)S1 8H70-1-22 [1,0,0,1,0,0|1,1,0]=4 333 B7R1.2 O=C1CSC(=O)N1 8H18-1-X1 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.2 O=C1C[C@@H](O)CN1 4H48-1-59 [1,0,0,1,0,0|1,0,1]=4 335 B7R1.2 O=C1C[C@@H](O)CO1 2H25-1-R1 [1,0,0,1,0,0|1,0,1]=4 336 B7R1.10 N#CC1CC(=O)C1 4237-1-01 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.10 NCC1CC(=O)C1 4H56-5-0N [1,0,0,1,0,0|1,0,1]=4 338 B7R1.10 O=C1CC(CBr)C1 2217-9-14 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.10 O=C1CC(CO)C1 2217-1-29 [1,0,0,1,0,0|0,0,1]=3 340 B7R1.10 O=C1CC(CO)N1 4H48-1-QC [1,0,0,1,0,0|1,0,1]=4 341 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-26 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I 2221-H-01 [1,0,0,1,0,0|1,0,1]=4 343 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-20 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-E0 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 2221-3-27 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.12 O=C(O)[C@H]1C[C@H]1F 2221-3-19 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.12 O=C(O)[C@H]1C[C@H]1I 2221-H-R1 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.18 CC(=O)C1CCC1 2217-1-0N [1,0,0,1,0,0|1,0,1]=4 349 B7R1.18 NC(=O)C1CCC1 4248-1-0H [1,0,0,1,0,0|1,0,1]=4 350 B7R1.18 NC(=O)C1CNC1 4H48-1-BC [1,0,0,1,0,0|2,0,0]=4 351 B7R1.18 NC(=O)C1CNC1 4H48-5-7Z [1,0,0,1,0,0|2,0,0]=4 352 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,1,0,0|0,0,1]=3 353 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,1,0,0|1,0,1]=4 356 B9R1.35 CC(=O)C1CCC(=O)O1 2H25-1-36 [0,0,0,1,0,1|0,0,0]=2 357 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4H56-1-PC [0,0,0,1,0,1|1,0,1]=4 358 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,0,0,1,0,1|1,0,1]=4 359 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,0,0,1,0,1|2,0,0]=4 360 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,0,0,1,0,1|2,0,0]=4 361 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,1,0,1|1,0,1]=4 362 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,1,0,1|1,0,1]=4 363 B9R1.35 NC(=O)C1CNC(=O)C1 4H48-1-00Y [0,0,0,1,0,1|1,0,0]=3 364 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,0,0,1,0,1|1,0,1]=4 365 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [0,0,0,1,0,1|1,0,1]=4 366 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [0,0,0,1,0,1|1,0,1]=4 367 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,0,0,1,0,1|1,0,1]=4 368 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [0,0,0,1,0,1|1,0,1]=4 369 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [0,0,0,1,0,1|1,0,1]=4 370 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [0,0,0,1,0,1|1,0,1]=4 371 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,0,0,1,0,1|0,0,2]=4 372 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [0,0,0,1,0,1|1,0,1]=4 373 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,0,0,1,0,1|0,0,2]=4 374 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,1,0,1|0,0,0]=2 375 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [0,0,0,1,0,1|1,0,0]=3 376 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,1,0,1|0,0,0]=2 377 B9R1.35 O=C1NC(C(=O)O)CO1 4H58-1-346 [0,0,0,1,0,1|1,0,0]=3 378 B9R1.35 O=C1NCC(C(=O)O)N1 4H29-1-1Q [0,0,0,1,0,1|1,0,0]=3 379 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 4H58-1-R15 [0,0,0,1,0,1|1,0,0]=3 380 B9R1.35 O=C1N[C@H](C(=O)O)CO1 4H58-1-S15 [0,0,0,1,0,1|1,0,0]=3 381 B9R1.49 O=C1CCC(O)CCN1 4H48-1-1G [0,0,0,1,0,1|1,0,1]=4 382 B9R1.53 CC(=O)OC1CC(=O)C1 2H29-1-32 [0,0,0,1,0,1|1,0,0]=3 383 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-1-08 [0,0,0,1,0,1|1,0,1]=4 384 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,0,0,1,0,1|1,0,1]=4 385 B9R1.1 COC1CCC(=O)CC1 2217-1-0A [0,1,0,1,0,0|1,0,1]=4 386 B9R1.1 O=C1CCC(CO)CC1 P311-A-79 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.1 O=CC1CCC(=O)CC1 2217-1-0T [0,1,0,1,0,0|1,0,1]=4 388 B9R1.69 CC1=NN(C)C(=O)CC1 4H17-1-89 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.82 C=C1CC(C(=O)OC)C1 2323-1-39 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.82 C=C1CC(\C(N)=N\O)C1 4356-1-02 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 2H23-1-E0 [0,1,0,1,0,0|0,0,2]=4 392 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4258-5-05 [0,1,0,1,0,0|1,0,1]=4 393 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 2229-1-36 [0,1,0,1,0,0|0,0,2]=4 394 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4258-5-04 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 2221-1-Z0 [0,1,0,1,0,0|0,0,2]=4 396 B9R1.95 O=C(O)C1CC(CBr)C1 2221-9-09 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,1,0,1,0,0|0,0,0]=2 398 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,1,0,1,0,0|0,0,2]=4 399 B5R0.5 C=C(C)C(=O)Cl 2316-5-02 [0,0,0,0,2,0|2,0,0]=4 400 B5R0.5 C=C(C)C(=O)O 2321-1-02 [0,0,0,0,2,0|1,0,0]=3 401 B5R0.5 CC(=O)C(=O)[O-] 2122-1-14 [0,0,0,0,2,0|0,0,1]=3 402 B5R0.5 CC(Br)C(=O)O 2121-9-13 [0,0,0,0,2,0|1,0,1]=4 403 B5R0.5 C[C@@H](Br)C(=O)O 2121-9-R0 [0,0,0,0,2,0|1,0,1]=4 404 B5R0.5 C[C@@H](O)C(=O)O 2129-1-R8 [0,0,0,0,2,0|0,0,2]=4 405 B5R0.5 NC(=O)C(=O)O 4157-1-60 [0,0,0,0,2,0|1,0,0]=3 406 B5R0.5 O=C(Br)C(=O)Br 2116-8-00 [0,0,0,0,2,0|2,0,0]=4 407 B5R0.5 O=C(F)C(=O)F 2116-2-18 [0,0,0,0,2,0|2,0,0]=4 408 B5R0.5 O=C(O)C(=O)O 2122-1-10 [0,0,0,0,2,0|1,0,0]=3 409 B5R0.5 O=C(O)C(=O)O 4H30-1-7V [0,0,0,0,2,0|1,0,0]=3 410 B5R0.5 O=C([O-])C(=O)[O-] M062-1-03 [0,0,0,0,2,0|1,0,1]=4 411 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [0,0,0,0,0,2|0,0,0]=2 412 B9R0.55 CC(=O)NCCNC(C)=O 4148-1-27 [0,0,0,0,0,2|1,0,0]=3 413 B9R0.55 CC(=O)NCCOC(C)=O 4158-1-27 [0,0,0,0,0,2|1,0,0]=3 414 B9R0.55 NC(=O)CSSCC(N)=O 8166-1-06 [0,0,0,0,0,2|2,0,0]=4 415 B9R0.55 O=C(O)C\C=C\CC(=O)O 2321-1-0J [0,0,0,0,0,2|1,0,0]=3 416 B9R0.55 O=C(O)\C=C\CCC(=O)O 2321-1-23 [0,0,0,0,0,2|1,0,0]=3