0 B7R0.2 C=CC(C)OC(C)=O 2323-1-1F [0,0,0,0,0,0|2,0,2]=4 1 B7R0.2 CC(=O)NC(C)CN 4148-1-0B [0,0,0,0,0,0|3,0,0]=3 2 B7R0.2 CC(=O)NC(C)CN 4148-5-0L [0,0,0,0,0,0|3,0,0]=3 3 B7R0.2 CC(=O)OC(Br)CBr 2123-9-21 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.2 CC(CN)CC(=O)O 4157-5-12 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.2 CCC(=O)CC(=O)O 2129-1-1N [0,0,0,0,0,0|1,0,1]=2 6 B7R0.2 CCC(=O)CC(C)=O 2118-1-09 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.2 CCC(C)CC(=O)O 2121-1-00 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.2 CCC(C)CC(C)C 1100-1-24 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.2 CCC(C)OC(=O)Cl 2116-5-08 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.2 CCC(N)CC(=O)O 4157-1-20 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.2 CC[C@@H](N)CC(=O)O 4156-5-R2 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.2 CC[C@H](C)CC(=O)O 2121-1-S4 [0,0,0,0,0,0|0,0,0]=0 13 B7R0.2 COC(=O)CC(=O)O 2123-1-85 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.2 NCC(O)CC(=O)O 4157-1-14 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCC(C)SC#N 7168-1-W2 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCCC(Br)CC 1100-9-36 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CCCC(C)NC 3131-5-06 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CCCC(O)CC 2102-1-08 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CCOC(C)CC 2107-1-0C [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CC[C@H](C)CCO 2101-1-S3 [1,0,0,0,0,0|0,0,1]=2 21 B6R0.1 COCC(C)OC 2108-1-0D [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 C[C@H](CO)CCO 2104-1-S4 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.1 OCCC(O)CO 2105-1-X0 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 OCC[C@@H](O)CO 2104-1-R2 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.2 C=C(Br)CC(C)C 1300-9-16 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.2 CC(=O)OC(C)Br 2123-9-25 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.2 CC(C)=CC(=O)Cl 2316-5-05 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.2 CC(C)CC(=O)O 2121-1-18 [1,0,0,0,0,0|0,0,0]=1 29 B6R0.2 CC(C)CC(C)Cl 1100-5-09 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.2 CC(C)NC(N)=O 4153-1-10 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.2 CC(C)OC(N)=O 4156-1-2S [1,0,0,0,0,0|2,0,0]=3 32 B6R0.2 CC(C)SC(=O)Cl 6166-5-00 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.2 CC(Cl)CC(=O)O 2121-5-09 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.2 CN(C)CC(=O)O 4158-1-41 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.2 C[C@@H](N)CC(=O)O 4157-1-12 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.2 C[C@H](N)CC(=O)O 4157-5-06 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.2 C[C@H](O)CN(C)C 4156-1-SH [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 C[C@H](O)C[C@H](C)O 2104-1-29 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 C=C(Br)CCCC 1300-9-19 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 C=CCCC(=O)O 2321-1-0D [1,0,0,0,0,0|0,0,2]=3 41 B6R0.4 CC(=O)CCCBr 2117-9-0A [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 CC(=O)OCCBr 2123-9-24 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 CC(=O)OCCCl 2123-5-0M [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CCCC=C(F)F 1300-3-96 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 CCCCC(=N)N 3141-1-03 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 CCCCC(=O)Br 2116-9-0A [1,0,0,0,0,0|1,0,0]=2 47 B6R0.4 CCCCC(C)=O 2117-1-11 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.4 CCCCC(C)O 2102-1-07 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.4 CCCCC(N)=O 4148-1-0P [1,0,0,0,0,0|1,0,0]=2 50 B6R0.4 CCCC[C@@H](C)N 3130-1-R0 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 CCCC[C@H](C)N 3130-1-S0 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CCCC[C@H](C)O 2102-1-S0 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.4 CCCNC(N)=O 4153-1-00 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.4 CCCOC(=O)Cl 2116-5-30 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.4 CCCOC(N)=O 4156-1-2G [1,0,0,0,0,0|2,0,0]=3 56 B6R0.4 CCCSC(C)=O 6166-1-0A [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 CCNCC(=O)O 4158-1-76 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.4 CCOCC(=O)O 2121-1-20 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.4 CNCCC(=O)O 4157-1-11 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.4 COCCC(=O)Cl 2116-5-0C [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 COCCC(=O)O 2123-1-63 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.4 COCCC(C)O 2107-1-13 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.4 CO\N=C\C(=O)O 4135-1-01 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.4 CSCCC(=O)Cl 6166-5-01 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.4 CSCCC(C)=O 6166-1-0J [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 N#CCCC(=O)O 4137-1-00 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.4 O=C(Cl)CCCBr 2116-D-01 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 O=C(Cl)OCCBr 2123-D-00 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 O=C(Cl)OCCCl 2123-5-0K [1,0,0,0,0,0|3,0,0]=4 71 B6R0.4 O=C(O)CCCBr 2121-9-05 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.4 O=C(O)\C=C\CBr 2321-9-00 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 O=C([O-])CNCO 4158-1-62 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.2 CCC(C)C(=O)C(=O)O 2129-1-1A [0,1,0,0,0,0|0,0,1]=2 75 B8R0.2 CCC(O)C(Cl)C(=O)O 2129-5-03 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 2121-5-0B [0,1,0,0,0,0|0,0,0]=1 77 B8R0.5 CCC\C(C)=C\C(=O)O 2321-1-21 [0,1,0,0,0,0|0,0,2]=3 78 B8R0.5 CCOC(=O)CC(=O)Cl 2123-5-00 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.16 C=CC(CC)OC(C)=O 2324-1-0G [0,1,0,0,0,0|2,0,1]=4 80 B8R0.16 CCN(CC)CC(C)O 4132-1-02 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.19 CC[C@H](O)CC(=O)OC 2129-1-SE [0,1,0,0,0,0|1,0,0]=2 82 B8R0.19 CN\C(C)=C\C(=O)OC G311-A-54 [0,1,0,0,0,0|1,0,2]=4 83 B8R0.19 COC(=O)C[C@H](O)CCl 2129-5-S0 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.19 COC(=O)\C=C(/C)OC 2323-1-E4 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,1,0,0,0,0|2,0,1]=4 86 B8R0.23 CC(C)C(N)CC(=O)O 4157-1-40 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-1-R40 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-5-10 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,1,0,0,0,0|1,0,1]=3 90 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,1,0,0,0,0|2,0,1]=4 93 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.24 CCC(C)OS(C)(=O)=O 6164-1-01 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.34 CC(C)(CN)CC(=O)O 4157-1-51 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.34 CC(O)(CN)CC(=O)O 4157-1-58 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.34 CCC(C)(O)CC(=O)O 2129-1-0V [0,1,0,0,0,0|0,0,0]=1 100 B8R0.34 CCC(C)(O)CC(C)C 2103-1-04 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.34 CCS(=O)(=O)CC(=O)O 6163-1-05 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.34 NCC(F)(F)CC(=O)O 4157-3-37 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.1 C=CC1COC(=O)O1 2H28-1-22 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.1 C=C[C@H]1COC(=O)C1 2H25-1-60 [0,0,0,1,0,0|0,0,2]=3 105 B8R1.1 CCC1CCC(=O)O1 2H25-1-20 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.1 CCN1CCC(O)C1 4H01-1-B2 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.1 N#CC1CCC(=O)C1 4237-1-0P [0,0,0,1,0,0|2,0,1]=4 108 B8R1.1 NCC1CCC(=O)N1 4H48-1-QQ [0,0,0,1,0,0|3,0,0]=4 109 B8R1.1 NC[C@H]1CNC(=O)C1 4H48-1-SC [0,0,0,1,0,0|2,0,0]=3 110 B8R1.1 NC[C@H]1CNC(=O)C1 4H48-5-S7 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.1 O=C1C=C(CBr)CO1 2H25-9-63 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.1 O=C1CC(CO)CN1 4H48-1-93 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.1 O=C1CC[C@@H](CBr)N1 4H48-9-S0 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.1 O=C1CC[C@@H](CO)N1 4H48-1-KC [0,0,0,1,0,0|3,0,0]=4 115 B8R1.1 O=C1CC[C@@H](CO)O1 2H20-1-01 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.1 O=C1CC[C@H](CBr)N1 4H48-9-R0 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.1 O=C1NC(CO)CO1 4H56-1-0NV [0,0,0,1,0,0|2,0,0]=3 118 B8R1.1 O=C1NC[C@H](CO)O1 4H56-1-RP [0,0,0,1,0,0|3,0,0]=4 119 B8R1.1 O=C1N[C@@H](CO)CO1 4H56-1-S59 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.1 O=C1N[C@H](CO)CO1 4H56-1-R59 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.1 O=C1OCC(CBr)O1 2H28-9-00 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.1 O=C1OCC(CF)O1 2H28-3-05 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.4 CC1=CC(=O)CCC1 2417-1-0F [0,0,0,1,0,0|1,0,2]=4 124 B8R1.4 CC1CC(=O)CCN1 4H56-5-0M [0,0,0,1,0,0|2,0,0]=3 125 B8R1.4 CC1CC(O)CCN1 4H56-1-012 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.4 CC1CCCC(=O)C1 2217-1-0Z [0,0,0,1,0,0|1,0,0]=2 127 B8R1.4 CC1CCCC(=O)N1 4H48-1-CH [0,0,0,1,0,0|2,0,0]=3 128 B8R1.4 CC1CCCC(N)C1 3230-1-0H [0,0,0,1,0,0|2,0,1]=4 129 B8R1.4 CC1CCCC(O)C1 2202-1-1F [0,0,0,1,0,0|1,0,1]=3 130 B8R1.4 CC1CCNC(C)C1 3H31-1-GJ [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 CN1CCC=C(Br)C1 3H32-D-02 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.4 CN1CCCC(=O)C1 4H17-1-2E [0,0,0,1,0,0|2,0,0]=3 133 B8R1.4 CN1CCCC(=O)C1 4H17-5-1E [0,0,0,1,0,0|2,0,0]=3 134 B8R1.4 CN1CCC[C@@H](O)C1 4H56-1-R01 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.4 CN1CCC[C@H](O)C1 4H56-1-S10 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 C[C@@H]1CC(=O)CCN1 4H56-5-1P [0,0,0,1,0,0|2,0,0]=3 137 B8R1.4 C[C@H]1CC(=O)CCN1 4H29-3-S1 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.4 NC1CCNC(=O)C1 4H22-1-10 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.4 O[C@H]1CCC[C@@H](O)C1 2208-1-04 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.18 CC1=C(C)OC(=O)O1 2H17-1-75 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.18 CC1=CC(=O)OC1O 2425-1-01 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.18 CC1CC(=O)OC1=O 2H26-1-0B [0,0,0,1,0,0|1,0,1]=3 143 B8R1.18 C[C@@H]1OC(=O)O[C@@H]1C 2H28-1-Z0 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.18 O=C1OC(F)C(F)O1 2H28-3-26 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.18 O=C1O[C@@H](F)[C@@H](F)O1 2H28-3-Z0 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.34 CC(=O)CC1COC1 2H17-1-01 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.34 O=C(O)CC1CCC1 2221-1-52 [0,0,0,1,0,0|0,0,0]=1 148 B8R1.34 O=C(O)CC1COC1 2H21-1-45 [0,0,0,1,0,0|1,0,0]=2 149 B8R1.43 NCC1CC1C(=O)O 4257-5-05 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.51 CC1CCS(=O)(=O)C1 6H63-1-0A [0,0,0,1,0,0|1,0,1]=3 151 B8R1.51 O=S1(=O)CCC(O)C1 6H63-1-X0 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 4256-1-33 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.62 CC1(C#N)CC(=O)C1 4237-1-0B [0,0,0,1,0,0|2,0,1]=4 154 B8R1.62 CC1(CO)CC(=O)C1 2220-1-04 [0,0,0,1,0,0|2,0,0]=3 155 B6R0.3 C=C(Br)C(C)CC 1300-9-17 [0,0,0,0,1,0|2,0,0]=3 156 B6R0.3 CC(CBr)C(=O)O 2121-9-0A [0,0,0,0,1,0|1,0,0]=2 157 B6R0.3 CC(CS)C(=O)O 6261-1-00 [0,0,0,0,1,0|1,0,0]=2 158 B6R0.3 CCC(Br)C(=O)Br 2116-9-09 [0,0,0,0,1,0|2,0,0]=3 159 B6R0.3 CCC(Br)C(=O)Cl 2116-D-02 [0,0,0,0,1,0|2,0,0]=3 160 B6R0.3 CCC(Br)C(=O)O 2121-9-15 [0,0,0,0,1,0|1,0,0]=2 161 B6R0.3 CCC(C)B(O)O 6160-1-05 [0,0,0,0,1,0|1,0,1]=3 162 B6R0.3 CCC(O)C(=O)O 2129-1-1J [0,0,0,0,1,0|1,0,0]=2 163 B6R0.3 CCC(S)C(C)=O 6161-1-00 [0,0,0,0,1,0|2,0,0]=3 164 B6R0.3 CC[C@@H](Cl)C(=O)O 2121-5-R0 [0,0,0,0,1,0|1,0,0]=2 165 B6R0.3 CC[C@@H](O)C(=O)O 2129-1-RF [0,0,0,0,1,0|1,0,0]=2 166 B6R0.3 CC[C@H](C)C(=O)O 2121-1-S0 [0,0,0,0,1,0|0,0,0]=1 167 B6R0.3 CC[C@H](Cl)C(=O)O 2121-5-S0 [0,0,0,0,1,0|1,0,0]=2 168 B6R0.3 CC[C@H](N)C(N)=O 4148-5-S0 [0,0,0,0,1,0|2,0,0]=3 169 B6R0.3 CNC(C)C(=O)O 4157-1-0A [0,0,0,0,1,0|1,0,0]=2 170 B6R0.3 CON(C)C(=O)Cl 4156-5-0L [0,0,0,0,1,0|3,0,0]=4 171 B6R0.3 CO[C@@H](C)C(=O)O 2121-1-S1 [0,0,0,0,1,0|1,0,0]=2 172 B6R0.3 CO[C@H](C)C(=O)O 2121-1-R1 [0,0,0,0,1,0|1,0,0]=2 173 B6R0.3 C\C=C(/C)C(=O)Cl 2316-5-E0 [0,0,0,0,1,0|1,0,2]=4 174 B6R0.3 NC(=O)C(Cl)CCl 4148-5-0K [0,0,0,0,1,0|3,0,0]=4 175 B6R0.3 NC(CS)C(=O)O 8161-5-00 [0,0,0,0,1,0|2,0,0]=3 176 B6R0.3 NCC(N)C(=O)O 4157-1-27 [0,0,0,0,1,0|2,0,0]=3 177 B6R0.3 NCC(N)C(=O)O 4157-5-02 [0,0,0,0,1,0|2,0,0]=3 178 B6R0.3 NCC(O)C(=O)O 4157-1-47 [0,0,0,0,1,0|2,0,0]=3 179 B6R0.3 NC[C@@H](N)C(=O)O 4157-5-R5 [0,0,0,0,1,0|2,0,0]=3 180 B6R0.3 NC[C@H](N)C(=O)O 4157-5-S5 [0,0,0,0,1,0|2,0,0]=3 181 B6R0.3 NC[C@H](O)C(=O)O 4156-1-SR [0,0,0,0,1,0|2,0,0]=3 182 B6R0.3 N[C@@H](CCl)C(=O)O 4157-5-R3 [0,0,0,0,1,0|2,0,0]=3 183 B6R0.3 N[C@@H](CS)C(=O)O 8161-5-R2 [0,0,0,0,1,0|2,0,0]=3 184 B6R0.3 N[C@H](CS)C(=O)O 8161-5-S2 [0,0,0,0,1,0|2,0,0]=3 185 B6R0.3 O=C(O)C(=O)CBr 2129-9-X1 [0,0,0,0,1,0|2,0,1]=4 186 B6R0.3 O=C(O)C(Br)CBr 2121-9-06 [0,0,0,0,1,0|2,0,0]=3 187 B6R0.3 O=C(O)C(F)CF 2121-3-1P [0,0,0,0,1,0|2,0,0]=3 188 B8R0.9 CC(=O)OCC(C)CBr 2123-9-0N [0,0,0,0,0,1|2,0,0]=3 189 B8R0.9 CCC(C)CCC(C)C 1100-1-26 [0,0,0,0,0,1|2,0,1]=4 190 B8R0.9 CCC(C)COC(=O)Cl 2116-5-28 [0,0,0,0,0,1|1,0,0]=2 191 B8R0.9 CCC(C)OCC(C)F 2107-3-4M [0,0,0,0,0,1|2,0,1]=4 192 B8R0.9 CCC(C)OCC(F)F 2107-3-4S [0,0,0,0,0,1|2,0,1]=4 193 B8R0.9 CCC(Cl)CCC(=O)Cl 2116-5-23 [0,0,0,0,0,1|2,0,0]=3 194 B5R0.1 C=C(Br)CCC 1300-9-18 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 C=CC[C@H](C)O 2302-1-S0 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 CC(C)=CC=O 2315-1-00 [2,0,0,0,0,0|0,0,2]=4 197 B5R0.1 CC(C)CC#N 3137-1-16 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.1 CC(C)CCBr 1100-9-16 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.1 CC(C)CON 4147-5-09 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.1 CC(C)C[Mg]Br 9112-9-03 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.1 CC(C)C[Mg]Cl 9112-5-0S [2,0,0,0,0,0|2,0,0]=4 202 B5R0.1 CC(C)C[Mg]Cl 9112-5-0T [2,0,0,0,0,0|2,0,0]=4 203 B5R0.1 CC(C)C[Mg]Cl 9112-5-0U [2,0,0,0,0,0|2,0,0]=4 204 B5R0.1 CCNC(C)=O 4148-1-22 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.1 CCOC(=O)Cl 2123-5-02 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.1 CCSC(C)=O 6166-1-0D [2,0,0,0,0,0|2,0,0]=4 207 B5R0.1 C[C@H](O)CCO 2104-1-S0 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 NCCC(=O)O 4157-1-00 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.1 O=C(O)CCCl 2121-5-08 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.1 O=C(O)CCF 2121-3-40 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.1 O=C(O)CCI 2121-H-02 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.1 O=C(O)CCO 2129-1-06 [2,0,0,0,0,0|1,0,0]=3 213 B5R0.1 O=C(O)CCS 6161-1-02 [2,0,0,0,0,0|1,0,0]=3 214 B5R0.2 C=CCCCN 3333-5-01 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.2 CCCCCBr 1100-9-24 [2,0,0,0,0,0|1,0,1]=4 216 B5R0.2 CCCCCI 1100-H-16 [2,0,0,0,0,0|1,0,1]=4 217 B5R0.2 CCCCNN 3139-1-04 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.2 CCCCON 4147-5-0B [2,0,0,0,0,0|2,0,0]=4 219 B5R0.2 CCCC[Mg]Br 9112-9-02 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.2 CCCC[Mg]Cl 9112-5-0M [2,0,0,0,0,0|2,0,0]=4 221 B5R0.2 CCCC[Mg]Cl 9112-5-0N [2,0,0,0,0,0|2,0,0]=4 222 B5R0.2 CCCC[Mg]Cl 9112-5-0P [2,0,0,0,0,0|2,0,0]=4 223 B5R0.2 CCCOC=O 2123-1-91 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.2 CCOCCO 2106-1-01 [2,0,0,0,0,0|1,0,1]=4 225 B5R0.2 CCSCCO 6166-1-00 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.2 CNCCCO 4156-1-66 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.2 COCCCO 2107-1-02 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.2 NCCCCO 4156-1-4H [2,0,0,0,0,0|1,0,1]=4 229 B5R0.2 O=CCCCF 2115-3-24 [2,0,0,0,0,0|1,0,0]=3 230 B5R0.2 O=COCCBr 2123-9-0E [2,0,0,0,0,0|2,0,0]=4 231 B5R0.2 O=COCCCl 2123-5-0N [2,0,0,0,0,0|2,0,0]=4 232 B5R0.2 OCCCCBr 2101-9-01 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.2 OCCCCBr 2101-9-03 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.2 OCCCCCl 2101-5-05 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.2 [C-]#[N+]CCCC 3137-1-14 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.3 CC(CBr)CBr 1100-9-0A [2,0,0,0,0,0|2,0,0]=4 237 B5R0.3 CC(CCl)CBr 1100-D-05 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.3 CC(CO)NN 4156-5-13 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.3 CCC(Br)CBr 1100-9-12 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.3 CCC(C)CC 1100-1-05 [2,0,0,0,0,0|0,0,1]=3 241 B5R0.3 CCC(C)NN 3139-5-00 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.3 CCC(C)OC 2107-1-18 [2,0,0,0,0,0|1,0,1]=4 243 B5R0.3 CCC(C)[Mg]Cl 9112-5-0D [2,0,0,0,0,0|2,0,0]=4 244 B5R0.3 CCC(C)[Mg]Cl 9112-5-0E [2,0,0,0,0,0|2,0,0]=4 245 B5R0.3 CCC(O)CC 2102-1-04 [2,0,0,0,0,0|1,0,1]=4 246 B5R0.3 CC[C@@H](O)CO 2104-1-X1 [2,0,0,0,0,0|1,0,0]=3 247 B5R0.3 CNC(C)CO 4156-1-04 [2,0,0,0,0,0|1,0,0]=3 248 B5R0.3 CN[C@@H](C)CO 4156-1-07 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.3 CN[C@H](C)CO 4156-1-06 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.3 C\C=C(/C)C=O 2315-1-02 [2,0,0,0,0,0|0,0,2]=4 251 B5R0.3 NC[C@@H](O)CO 4156-1-RA [2,0,0,0,0,0|2,0,0]=4 252 B5R0.3 NC[C@H](O)CO 4156-1-S3 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.3 O=C[C@@H](O)CO 2115-1-S0 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.3 OCC(Br)CBr 2101-9-05 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.3 OCC(O)CF 2104-3-27 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.3 OC[C@@H](O)CCl 2104-5-R0 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.3 OC[C@H](O)CCl 2104-5-S0 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.3 CCC(C)OCCBr 2107-9-05 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.3 CCC(C)OCCCl 2107-5-0K [1,1,0,0,0,0|1,0,1]=4 260 B7R0.3 CCCCC(C)CC 1100-1-00 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.3 CCCNC(C)CC 3131-1-0D [1,1,0,0,0,0|1,0,1]=4 262 B7R0.3 CC[C@H](C)CCCO 2101-1-S2 [1,1,0,0,0,0|0,0,1]=3 263 B7R0.5 CC(C)C(N)CCO 4156-1-86 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.7 CC(CCBr)CCBr 1100-9-30 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.7 CC(CCO)CCO 2104-1-0E [1,1,0,0,0,0|0,0,1]=3 266 B7R0.7 CCCC(C)CCO 2101-1-0B [1,1,0,0,0,0|0,0,1]=3 267 B7R0.7 CN(CCN)CCO 4156-1-32 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.7 COC[C@@H](N)CCO 4156-5-S8 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.10 O=C[C@H](O)[C@H](O)CO 2112-1-06 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.11 CC(C)(C#N)CC=O 4137-1-Y4 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.11 COC(C)(C)CCO 2107-1-0A [1,1,0,0,0,0|1,0,1]=4 272 B7R0.12 C=CCN(CC)CC 3332-1-00 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.12 CCC(CC)C[Mg]Br 9112-9-00 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.12 OCCC(CO)CO 2105-1-18 [1,1,0,0,0,0|1,0,1]=4 275 B7R0.9 CC(=O)CC(C)(C)C 2117-1-02 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.9 CC(=O)CC(C)(C)O 2120-1-07 [1,1,0,0,0,0|1,0,0]=3 277 B7R0.9 CC(C)(C)CB(O)O 6160-1-0E [1,1,0,0,0,0|1,0,1]=4 278 B7R0.9 CC(C)(C)CC(=O)Cl 2116-5-0D [1,1,0,0,0,0|1,0,0]=3 279 B7R0.9 CC(C)OP(C)(=O)O 6177-1-01 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.9 CC(C)OP(C)(=O)O 6177-1-36 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.9 C[C@@H](O)CC(C)(C)O 2103-1-R0 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.9 C[C@H](O)CC(C)(C)O 2103-1-S0 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.9 C[N+](C)(C)CC(=O)O 4158-5-20 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.16 CC(C)C(=O)C(=O)O 2129-1-0Q [1,1,0,0,0,0|0,0,1]=3 285 B7R0.16 CC(C)C(Br)C(=O)Br 2116-9-06 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [1,1,0,0,0,0|0,0,0]=2 287 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [1,1,0,0,0,0|0,0,0]=2 288 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [1,1,0,0,0,0|0,0,0]=2 289 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [1,1,0,0,0,0|0,0,0]=2 290 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [1,1,0,0,0,0|0,0,0]=2 291 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.16 NC(C(=O)O)C(F)F 4157-3-38 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.16 O=C(O)C(O)C(F)F 2129-3-44 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [1,1,0,0,0,0|1,0,0]=3 295 B7R0.4 C=C(Br)CCCCC 1300-9-09 [1,1,0,0,0,0|2,0,0]=4 296 B7R0.4 C=C(C)CCCCC 1300-1-36 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.4 C=C(Cl)CCCCC 1300-5-27 [1,1,0,0,0,0|2,0,0]=4 298 B7R0.4 C=CCCCC(=O)O 2321-1-0P [1,1,0,0,0,0|0,0,1]=3 299 B7R0.4 CC(=O)CCCC#N 4137-1-0V [1,1,0,0,0,0|1,0,1]=4 300 B7R0.4 CC(=O)CCCCCl 2117-5-05 [1,1,0,0,0,0|1,0,0]=3 301 B7R0.4 CC(=O)COCCBr 2117-9-07 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.4 CC(=O)COCCCl 2117-5-0B [1,1,0,0,0,0|2,0,0]=4 303 B7R0.4 CC(=O)NCCCN 4148-5-0D [1,1,0,0,0,0|2,0,0]=4 304 B7R0.4 CC(=O)NCCCO 4156-1-Y9 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.4 CC(=O)OCCCCl 2123-5-0U [1,1,0,0,0,0|2,0,0]=4 306 B7R0.4 CC(=O)OCCCF 2123-3-1D [1,1,0,0,0,0|2,0,0]=4 307 B7R0.4 CCCCC=C(F)F 1300-3-97 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.4 CCCCCC(C)=O 2117-1-14 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.4 CCCCCC(C)O 2102-1-05 [1,1,0,0,0,0|1,0,1]=4 310 B7R0.4 CCCCCC(N)=O 4148-1-1F [1,1,0,0,0,0|1,0,0]=3 311 B7R0.4 CCCCOC(=O)Cl 2116-5-31 [1,1,0,0,0,0|1,0,0]=3 312 B7R0.4 CCCCOC(N)=O 4156-1-2H [1,1,0,0,0,0|1,0,0]=3 313 B7R0.4 CCCCO[N+](=O)[O-] 4154-1-0C [1,1,0,0,0,0|1,0,1]=4 314 B7R0.4 CCCCSC(C)=O 6166-1-0F [1,1,0,0,0,0|1,0,0]=3 315 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,1,0,0,0,0|0,0,0]=2 316 B7R0.4 CCC\C=C\C(C)=O 2317-1-0B [1,1,0,0,0,0|1,0,1]=4 317 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,1,0,0,0,0|0,0,0]=2 318 B7R0.4 COCCCC(=O)O 2121-1-51 [1,1,0,0,0,0|0,0,0]=2 319 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,1,0,0,0,0|0,0,1]=3 320 B7R0.4 N#CCCCC(=O)O 4137-1-0M [1,1,0,0,0,0|0,0,1]=3 321 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,1,0,0,0,0|0,0,0]=2 322 B7R0.4 NOCCCC(=O)O 4147-9-01 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.4 O=C(Cl)CCCCBr 2116-D-X0 [1,1,0,0,0,0|1,0,0]=3 324 B7R0.4 O=C(Cl)OCCCCl 2123-5-0S [1,1,0,0,0,0|2,0,0]=4 325 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,1,0,0,0,0|0,0,0]=2 326 B7R0.4 O=C(O)COCCCl 2121-5-01 [1,1,0,0,0,0|1,0,0]=3 327 B7R0.4 O=C([O-])CCCCO 2129-1-1E [1,1,0,0,0,0|0,0,1]=3 328 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [1,1,0,0,0,0|0,0,1]=3 329 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.6 CC(=O)OCC(C)F 2123-3-0L [1,1,0,0,0,0|2,0,0]=4 331 B7R0.6 CC(C)CCB(O)O 6160-1-0B [1,1,0,0,0,0|1,0,1]=4 332 B7R0.6 CC(C)CCC(=N)N 3141-1-00 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [1,1,0,0,0,0|0,0,0]=2 334 B7R0.6 CC(C)CCC(C)O 2102-1-0C [1,1,0,0,0,0|1,0,1]=4 335 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [1,1,0,0,0,0|1,0,0]=3 336 B7R0.6 CC(F)COC(=O)Cl 2123-7-0B [1,1,0,0,0,0|2,0,0]=4 337 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [1,1,0,0,0,0|0,0,0]=2 338 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [1,1,0,0,0,0|1,0,1]=4 341 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.8 CCCCC(C)(C)O 2103-1-09 [1,1,0,0,0,0|1,0,1]=4 343 B7R0.8 CCCCP(=O)(O)O 6177-1-99 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.8 CCCCS(N)(=O)=O 8169-1-0C [1,1,0,0,0,0|1,0,1]=4 345 B7R0.8 NCCCP(=O)(O)O 8177-1-12 [1,1,0,0,0,0|2,0,0]=4 346 B7R0.8 O=P(O)(O)CCCBr 6177-9-04 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.13 C#CC(C)(C)C(=O)O 2321-1-0F [0,1,0,0,1,0|0,0,2]=4 348 B7R0.13 C=CC(C)(C)C(=O)O 2321-1-0G [0,1,0,0,1,0|0,0,2]=4 349 B7R0.13 CC(C)(C#N)C(=O)O 4137-1-0K [0,1,0,0,1,0|1,0,1]=4 350 B7R0.13 CC(C)(CBr)C(=O)O 2121-9-0B [0,1,0,0,1,0|1,0,0]=3 351 B7R0.13 CC(C)(CCl)C(=O)O 2121-5-0A [0,1,0,0,1,0|1,0,0]=3 352 B7R0.13 CC(C)(CO)C(=O)O 2129-1-63 [0,1,0,0,1,0|1,0,0]=3 353 B7R0.13 CC(N)(CO)C(=O)O 4157-1-23 [0,1,0,0,1,0|1,0,0]=3 354 B7R0.13 CCC(C)(C)C(=O)Cl 2116-5-0E [0,1,0,0,1,0|1,0,0]=3 355 B7R0.13 CCC(C)(C)C(=O)O 2121-1-0J [0,1,0,0,1,0|0,0,0]=2 356 B7R0.13 CCC(C)(C)[S@@](N)=O 8169-1-S3 [0,1,0,0,1,0|2,0,0]=4 357 B7R0.13 CCC(C)(N)C(=O)O 4157-1-0J [0,1,0,0,1,0|0,0,0]=2 358 B7R0.13 CC[C@@](C)(N)C(=O)O 4157-5-R6 [0,1,0,0,1,0|0,0,0]=2 359 B7R0.13 COC(C)(C)C(=O)O 2121-1-0G [0,1,0,0,1,0|1,0,0]=3 360 B7R0.13 C[C@@](N)(CS)C(=O)O 8161-5-S0 [0,1,0,0,1,0|1,0,0]=3 361 B7R0.13 C[C@](N)(CS)C(=O)O 8161-5-R0 [0,1,0,0,1,0|1,0,0]=3 362 B7R0.13 C[C@](O)(CBr)C(=O)O 2129-9-R0 [0,1,0,0,1,0|1,0,0]=3 363 B7R0.13 NCC(F)(F)C(=O)O 4157-3-32 [0,1,0,0,1,0|2,0,0]=4 364 B7R0.14 CCC(C)S(=O)(=O)Cl 6162-5-0F [0,1,0,0,1,0|1,0,1]=4 365 B7R0.14 CCC(C)S(=O)(=O)O 6164-1-09 [0,1,0,0,1,0|1,0,0]=3 366 B7R0.15 CCN(CC)C(C)=O 4148-1-0J [0,1,0,0,1,0|2,0,0]=4 367 B7R0.15 CCN(CC)C(N)=O 4153-1-0C [0,1,0,0,1,0|2,0,0]=4 368 B7R0.15 CNC(CS)C(=O)O 8161-5-02 [0,1,0,0,1,0|1,0,0]=3 369 B7R0.15 CN[C@@H](CO)C(=O)O 4157-1-59 [0,1,0,0,1,0|1,0,0]=3 370 B7R0.15 N#CC(CN)C(=O)O 4158-1-37 [0,1,0,0,1,0|1,0,1]=4 371 B7R0.15 O=C(O)C(CBr)CBr 2121-9-X9 [0,1,0,0,1,0|1,0,0]=3 372 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,1,0,0,0,1|1,0,1]=4 373 B9R0.7 CC(N)C(=O)NCC(=O)O 4157-1-21 [0,1,0,0,0,1|1,0,1]=4 374 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,1,0,0,0,1|1,0,1]=4 375 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,1,0,0,0,1|1,0,1]=4 376 B9R0.43 CCC(CC)OCC(=O)O 2121-1-0U [0,1,0,0,0,1|0,0,0]=2 377 B9R0.43 CCC(COC(C)=O)OC 2123-1-1G [0,1,0,0,0,1|1,0,0]=3 378 B9R0.43 CCN(CC)CCC(=O)O 4158-5-03 [0,1,0,0,0,1|1,0,0]=3 379 B9R0.48 CCCC(C)COC(C)=O 2123-1-1F [0,1,0,0,0,1|1,0,0]=3 380 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [0,1,0,0,0,1|1,0,1]=4 381 B9R0.6 CCCC(F)C(N)C(=O)O 4157-3-X0 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 4158-5-0J [0,2,0,0,0,0|0,0,0]=2 383 B9R0.32 COC(C)(C)C(Br)C(=O)O 2121-9-02 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.32 COC(C)(C)C(N)C(=O)O 4157-1-Y2 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,2,0,0,0,0|1,0,1]=4 386 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,2,0,0,0,0|1,0,0]=3 387 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 4156-1-46 [0,2,0,0,0,0|0,0,0]=2 388 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O 4157-1-45 [0,2,0,0,0,0|0,0,0]=2 389 B9R0.34 CCC(=O)OC(C)COC 2123-1-1J [0,2,0,0,0,0|2,0,0]=4 390 B9R0.34 CCCC(=O)CC(=O)OC 2129-1-0Y [0,2,0,0,0,0|1,0,1]=4 391 B9R0.34 CCOC(=O)C[C@H](O)CCl 2129-5-S1 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.34 C\C=C\C(=O)OC(C)CC 2323-1-0Y [0,2,0,0,0,0|2,0,0]=4 393 B9R0.44 COCC(C)CS(=O)(=O)Cl 6162-5-06 [0,2,0,0,0,0|1,0,1]=4 394 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [0,2,0,0,0,0|0,0,1]=3 395 B9R0.53 CN(C)CC(O)CC(=O)O 4129-1-X1 [0,2,0,0,0,0|1,0,0]=3 396 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [0,2,0,0,0,0|1,0,1]=4 397 B9R0.58 CCCC(C)(O)CC(=O)O 2129-1-0L [0,2,0,0,0,0|0,0,0]=2 398 B9R0.26 CCN(CC)CC(=O)OC 4158-1-0V [0,2,0,0,0,0|1,0,0]=3 399 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,2,0,0,0,0|0,0,1]=3 400 B9R0.22 C=CC(C)(C)CC(=O)OC 2321-1-0K [0,2,0,0,0,0|0,0,2]=4 401 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O 4157-1-R1 [0,2,0,0,0,0|1,0,0]=3 402 B9R0.10 C\C(=C/C(=O)O)C(C)(C)C 2321-1-0L [0,2,0,0,0,0|0,0,2]=4 403 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F 4157-3-R2 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.10 O=C(O)CC(O)C(Cl)(Cl)Cl 2129-5-00 [0,2,0,0,0,0|2,0,0]=4 405 B9R0.10 O=C(O)C[C@@H](O)C(F)(F)F 2129-3-R2 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.10 O=C(O)C[C@H](O)C(F)(F)F 2129-3-S2 [0,2,0,0,0,0|2,0,0]=4 407 B7R1.1 BrCC1CCOC1 2H10-9-16 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.1 CCC1CCCC1 1200-1-15 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.1 CNC1CCOC1 4H56-5-B7 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.1 ICC1CCOC1 2H10-H-14 [1,0,0,1,0,0|1,0,1]=4 411 B7R1.2 CC1CC(=O)CN1 4H17-5-3T [1,0,0,1,0,0|1,0,0]=3 412 B7R1.2 CC1CNC(=O)C1 4H48-1-HT [1,0,0,1,0,0|1,0,0]=3 413 B7R1.2 CC1COC(=O)O1 2H28-1-01 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.2 C[C@@H]1COC(=O)N1 4H48-1-RL [1,0,0,1,0,0|2,0,0]=4 415 B7R1.2 C[C@@H]1COC(=O)O1 2H26-1-R1 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.2 C[C@H]1COC(=O)N1 4H48-1-SL [1,0,0,1,0,0|2,0,0]=4 417 B7R1.2 C[C@H]1COC(=O)O1 2H28-1-S1 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.2 NC1CCC(O)C1 4256-5-48 [1,0,0,1,0,0|1,0,1]=4 419 B7R1.2 NC1CNC(=O)C1 4H48-5-BD [1,0,0,1,0,0|2,0,0]=4 420 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-02 [1,0,0,1,0,0|1,0,1]=4 421 B7R1.2 O=C1C[C@@H](O)CN1 4H48-1-59 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.2 O=C1C[C@@H](O)CO1 2H25-1-R1 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.3 CC1CCC=CO1 2H10-1-1J [1,0,0,1,0,0|2,0,0]=4 424 B7R1.3 CC1CCCNC1 3H31-1-74 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.3 CC1CCOCO1 2H10-1-20 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.3 ClC1CCOCC1 2H10-5-0B [1,0,0,1,0,0|1,0,1]=4 427 B7R1.6 OCCC1COC1 2H10-1-58 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.10 C=C1CC(CN)C1 3330-1-01 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.10 C=C1CC(CN)C1 3330-5-01 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.10 CCN1CC(O)C1 4H56-1-NU [1,0,0,1,0,0|1,0,1]=4 431 B7R1.10 CNC1CC(O)C1 4H56-1-082 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.10 CN[C@H]1C[C@H](O)C1 4256-5-17 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.10 N#CC1CC(=O)C1 4237-1-01 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.10 NCC1CC(=O)C1 4H56-5-0N [1,0,0,1,0,0|1,0,0]=3 435 B7R1.10 NCC1CC(O)C1 4256-5-08 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.10 NC[C@H]1C[C@@H](O)C1 4256-5-05 [1,0,0,1,0,0|1,0,1]=4 437 B7R1.10 NC[C@H]1C[C@H](O)C1 4256-5-04 [1,0,0,1,0,0|1,0,1]=4 438 B7R1.10 O=C1CC(CBr)C1 2217-9-14 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.10 O=C1CC(CO)C1 2217-1-29 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.10 O=C1CC(CO)N1 4H48-1-QC [1,0,0,1,0,0|2,0,0]=4 441 B7R1.10 OCC1CC(O)C1 2204-1-0B [1,0,0,1,0,0|1,0,1]=4 442 B7R1.25 CC1(CBr)CCO1 2H10-9-44 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.25 CC1(CCl)CCO1 2H10-5-20 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.25 CC1(CO)CCO1 2H10-1-62 [1,0,0,1,0,0|1,0,1]=4 445 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-26 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I 2221-H-01 [1,0,0,1,0,0|1,0,0]=3 447 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-20 [1,0,0,1,0,0|1,0,0]=3 448 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-E0 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 2221-3-27 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.12 O=C(O)[C@H]1C[C@H]1F 2221-3-19 [1,0,0,1,0,0|1,0,0]=3 451 B7R1.12 O=C(O)[C@H]1C[C@H]1I 2221-H-R1 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.20 NC(=O)NC1CC1 4253-1-01 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.7 CCCCC1CO1 2109-1-10 [1,0,0,1,0,0|1,0,1]=4 454 B7R1.18 CC(=O)C1CCC1 2217-1-0N [1,0,0,1,0,0|1,0,0]=3 455 B7R1.18 CC(=O)N1CCC1 4H48-1-35 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.18 CC(O)C1CCC1 2202-1-0Y [1,0,0,1,0,0|1,0,1]=4 457 B7R1.18 NC(=O)C1CCC1 4248-1-0H [1,0,0,1,0,0|1,0,0]=3 458 B7R1.18 NC(=O)C1CNC1 4H48-1-BC [1,0,0,1,0,0|2,0,0]=4 459 B7R1.18 NC(=O)C1CNC1 4H48-5-7Z [1,0,0,1,0,0|2,0,0]=4 460 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,1,0,0|0,0,0]=2 461 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,1,0,0|1,0,0]=3 463 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,1,0,0|1,0,0]=3 464 B7R1.18 OB(O)C1CCC1 6260-1-02 [1,0,0,1,0,0|1,0,1]=4 465 B9R1.1 CCC1CCC(O)CC1 2202-1-0L [0,0,0,1,0,1|1,0,1]=4 466 B9R1.1 CC[C@H]1CC[C@H](O)CC1 2202-1-18 [0,0,0,1,0,1|1,0,1]=4 467 B9R1.1 CNC1CCC(=O)CC1 4233-5-02 [0,0,0,1,0,1|2,0,0]=4 468 B9R1.1 COC1CCC(=O)CC1 2217-1-0A [0,0,0,1,0,1|2,0,0]=4 469 B9R1.1 NCC1CCC(=O)NC1 4H48-1-BN [0,0,0,1,0,1|2,0,0]=4 470 B9R1.1 O=C1CCC(CO)CC1 P311-A-79 [0,0,0,1,0,1|2,0,0]=4 471 B9R1.1 O=C1CCC(CO)CN1 4H48-1-CG [0,0,0,1,0,1|2,0,0]=4 472 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4H56-1-PC [0,0,0,1,0,1|2,0,0]=4 473 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,0,0,1,0,1|1,0,0]=3 474 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,0,0,1,0,1|1,0,0]=3 475 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,0,0,1,0,1|1,0,0]=3 476 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,1,0,1|1,0,0]=3 477 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,1,0,1|1,0,0]=3 478 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,0,0,1,0,1|1,0,0]=3 479 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [0,0,0,1,0,1|2,0,0]=4 480 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [0,0,0,1,0,1|2,0,0]=4 481 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,0,0,1,0,1|1,0,0]=3 482 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [0,0,0,1,0,1|2,0,0]=4 483 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [0,0,0,1,0,1|2,0,0]=4 484 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [0,0,0,1,0,1|2,0,0]=4 485 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,0,0,1,0,1|2,0,0]=4 486 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [0,0,0,1,0,1|2,0,0]=4 487 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,0,0,1,0,1|2,0,0]=4 488 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,1,0,1|1,0,1]=4 489 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [0,0,0,1,0,1|1,0,1]=4 490 B9R1.49 CN1CCCC(=O)CC1 4H56-5-AU [0,0,0,1,0,1|2,0,0]=4 491 B9R1.49 CN1CCNC(=O)CC1 4H48-1-1Z [0,0,0,1,0,1|2,0,0]=4 492 B9R1.49 O=C1CCC(O)CCN1 4H48-1-1G [0,0,0,1,0,1|2,0,0]=4 493 B9R1.69 CC1CCC(=O)CC1C 2217-1-1C [0,0,0,1,0,1|1,0,0]=3 494 B9R1.69 CC1CCC(O)CC1C 2202-1-0R [0,0,0,1,0,1|1,0,1]=4 495 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 2221-1-Z0 [0,0,0,1,0,1|1,0,0]=3 496 B9R1.95 O=C(O)C1CC(CBr)C1 2221-9-09 [0,0,0,1,0,1|1,0,0]=3 497 B9R1.3 CC1CCCC(O)C1C 2202-1-0U [0,1,0,1,0,0|1,0,1]=4 498 B9R1.37 CC1CC(=O)C(=O)C1C 2218-1-16 [0,1,0,1,0,0|0,0,1]=3 499 B9R1.37 CC1OC(=O)C(=O)C1C 2H29-1-0B [0,1,0,1,0,0|0,0,1]=3 500 B9R1.41 CC1CNCC1C(=O)O 4H58-1-044 [0,1,0,1,0,0|0,0,0]=2 501 B9R1.41 CN1CCCC1C(=O)O 4H21-1-FK [0,1,0,1,0,0|1,0,0]=3 502 B9R1.41 NN1CCC[C@@H]1C(=O)O 4H57-1-28 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 4257-5-09 [0,1,0,1,0,0|1,0,0]=3 504 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 4257-5-08 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-10 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 4258-1-11 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.93 C=CC1CC1(N)C(=O)O 4357-1-03 [0,1,0,1,0,0|0,0,2]=4 508 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO 4257-1-0E [0,1,0,1,0,0|1,0,0]=3 509 B9R1.110 NC(C(=O)O)C1COC1 4H57-1-71 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.7 CCCC1CNC(=O)C1 4H48-1-0AU [0,1,0,1,0,0|1,0,0]=3 511 B9R1.7 COCC1COC(=O)O1 2H28-1-14 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.7 COC[C@@H]1COC(=O)O1 2H28-1-R0 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.7 COC[C@H]1COC(=O)O1 2H28-1-S0 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.13 CC(=O)NC1CCCC1 4248-1-0F [0,1,0,1,0,0|2,0,0]=4 515 B9R1.13 CC(=O)N[C@@H]1CCNC1 4H48-1-R3 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.13 CC(=O)N[C@H]1CCNC1 4H48-1-S4 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.13 NC(=O)CN1CCCC1 4H48-1-030 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.13 O=C(O)C=C1CCCC1 2221-1-1B [0,1,0,1,0,0|0,0,2]=4 519 B9R1.13 O=C(O)CC1CCCO1 2H21-1-0B [0,1,0,1,0,0|0,0,0]=2 520 B9R1.13 O=C(O)CC1CCNC1 4H21-1-W3 [0,1,0,1,0,0|0,0,0]=2 521 B9R1.13 O=C(O)CC1CCNC1 4H58-1-H4 [0,1,0,1,0,0|0,0,0]=2 522 B9R1.13 O=C(O)CC1CCOC1 2H21-1-59 [0,1,0,1,0,0|0,0,0]=2 523 B9R1.34 CC1CC(=O)CC(C)C1 2217-1-1B [0,1,0,1,0,0|1,0,0]=3 524 B9R1.34 CC1CC(=O)CC(C)O1 P612-A-15 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.34 CC1CC(C)CC(O)C1 2202-1-0K [0,1,0,1,0,0|1,0,1]=4 526 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 2H17-1-86 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.48 CC1CC(=O)NCCN1 4H48-1-BD [0,1,0,1,0,0|1,0,0]=3 528 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-1-08 [0,1,0,1,0,0|0,0,0]=2 529 B9R1.66 CC1(C)CC(=O)CCO1 2H17-1-0A [0,1,0,1,0,0|2,0,0]=4 530 B9R1.66 CC1(C)CCCC(=O)C1 2217-1-32 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.137 C\C(=C\C(=O)O)C1CC1 2321-1-Z2 [0,1,0,1,0,0|0,0,2]=4 532 B9R1.171 CC1(CC(=O)O)COC1 2H23-1-1Q [0,1,0,1,0,0|0,0,0]=2 533 B9R1.171 NC1(CC(=O)O)COC1 4H57-1-99 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.2 CCC1CCCC(=O)N1 4H48-1-CF [0,1,0,1,0,0|2,0,0]=4 535 B9R1.2 CNC1CCCC(O)C1 4256-1-0X [0,1,0,1,0,0|1,0,1]=4 536 B9R1.2 NCC1CCNC(=O)C1 4H48-1-BL [0,1,0,1,0,0|1,0,0]=3 537 B9R1.2 O=C1CCCC(CO)N1 4H48-1-CE [0,1,0,1,0,0|2,0,0]=4 538 B9R1.2 O=C1CCC[C@@H](CO)N1 4H31-1-S0 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.2 O=C1CCC[C@H](CO)N1 4H31-1-R0 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.23 CN1CC(CN)CC1=O 4H48-1-HW [0,1,0,1,0,0|2,0,0]=4 541 B9R1.23 CN1CC(CO)CC1=O 4H56-1-5B [0,1,0,1,0,0|2,0,0]=4 542 B9R1.79 COC(=O)CC1CNC1 4H22-3-05 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,1,0,1,0,0|0,0,0]=2 544 B9R2.39 O=C1CC2CCC1C2 2217-1-39 [0,0,0,2,0,0|1,0,0]=3 545 B9R2.39 O=C1NC2CCC1C2 4H48-1-CD [0,0,0,2,0,0|2,0,0]=4 546 B9R2.39 O=C1OC2CCC1C2 2H25-1-2A [0,0,0,2,0,0|2,0,0]=4 547 B9R2.39 OC1CC2CCC1C2 2202-1-07 [0,0,0,2,0,0|1,0,1]=4 548 B9R2.39 [C@H]12CC[C@@H](C1)[C@H](O)C2 2202-1-1B [0,0,0,2,0,0|1,0,1]=4 549 B9R2.139 O=C1CCC2(CC2)N1 4H48-1-08S [0,0,0,2,0,0|2,0,0]=4 550 B9R2.109 O=C1CCCC2CC12 2217-1-1P [0,0,0,2,0,0|1,0,0]=3 551 B9R2.109 O=C1CCCC2OC12 2217-1-0U [0,0,0,2,0,0|2,0,0]=4 552 B5R0.5 C=C(Br)C(C)C 1300-9-15 [1,0,0,0,1,0|2,0,0]=4 553 B5R0.5 C=C(C)C(=O)O 2321-1-02 [1,0,0,0,1,0|0,0,2]=4 554 B5R0.5 CC(=O)C(C)Br 2117-9-04 [1,0,0,0,1,0|2,0,0]=4 555 B5R0.5 CC(Br)C(=O)Br 2116-9-02 [1,0,0,0,1,0|2,0,0]=4 556 B5R0.5 CC(Br)C(=O)Cl 2116-D-X1 [1,0,0,0,1,0|2,0,0]=4 557 B5R0.5 CC(Br)C(=O)O 2121-9-13 [1,0,0,0,1,0|1,0,0]=3 558 B5R0.5 CC(C)C(=O)Br 2116-9-0B [1,0,0,0,1,0|1,0,0]=3 559 B5R0.5 CC(C)C(N)=S 7167-1-39 [1,0,0,0,1,0|1,1,0]=4 560 B5R0.5 CC(C)S(=O)[O-] 6165-1-03 [1,0,0,0,1,0|1,0,1]=4 561 B5R0.5 CN(C)C(=O)Cl 4148-5-17 [1,0,0,0,1,0|2,0,0]=4 562 B5R0.5 CN(C)C(N)=O 4153-1-03 [1,0,0,0,1,0|2,0,0]=4 563 B5R0.5 C[C@@H](Br)C(=O)O 2121-9-R0 [1,0,0,0,1,0|1,0,0]=3 564 B5R0.5 C[C@@H](O)C(=O)O 2129-1-R8 [1,0,0,0,1,0|1,0,0]=3 565 B5R0.5 O=C(O)C(Cl)Cl 2121-5-07 [1,0,0,0,1,0|2,0,0]=4 566 B9R0.1 CCC(C)CCOC(C)=O 2123-1-1C [0,0,0,0,0,2|1,0,0]=3 567 B9R0.1 COC(C)CCOC(C)=O 2123-1-1E [0,0,0,0,0,2|2,0,0]=4