0 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [0,0,0,0,0,0|1,0,0]=1 5 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [0,0,0,0,0,0|0,0,0]=0 6 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [0,0,0,0,0,0|1,0,0]=1 7 B7R0.5 CCOC(=O)C(=O)[O-] 2122-1-11 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [0,0,0,0,0,0|0,0,2]=2 9 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [0,0,0,0,0,0|2,0,0]=2 11 B7R0.5 COCC(N)C(=O)O 4157-1-18 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [0,0,0,0,0,0|2,0,0]=2 19 B7R0.5 O=C(Br)C(Br)CCBr 2116-9-00 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 CCCC(Br)CC 1100-9-36 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCCC(C)C=O 2115-1-12 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.1 CCCC(C)NC 3131-5-06 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CCCC(N)C#N 3137-5-03 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 CCCC(O)CC 2102-1-08 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.1 CCCC(O)CN 4156-1-94 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 CCC[C@@H](N)CO 4156-1-72 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.1 CCC[C@H](N)CO 4156-1-70 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 CCOC(C)CC 2107-1-0C [1,0,0,0,0,0|2,0,1]=4 29 B6R0.1 CCO\C(C)=N\O 4147-1-09 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CC[C@H](C)CCO 2101-1-S3 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CN(C=O)CCO 4156-1-0X [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 CNCC(O)CO 4156-1-49 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 COCC(C)OC 2108-1-0D [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 C[C@H](CO)CCO 2104-1-S4 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.1 OCCC(O)CO 2105-1-X0 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 OCC[C@@H](O)CO 2104-1-R2 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.3 C=C(Br)C(C)CC 1300-9-17 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 CC(CBr)C(=O)O 2121-9-0A [1,0,0,0,0,0|1,0,0]=2 39 B6R0.3 CC(CS)C(=O)O 6261-1-00 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 CCC(Br)C(=O)Br 2116-9-09 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.3 CCC(Br)C(=O)Cl 2116-D-02 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 CCC(Br)C(=O)O 2121-9-15 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.3 CCC(C)B(O)O 6160-1-05 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.3 CCC(O)C(=O)O 2129-1-1J [1,0,0,0,0,0|1,0,0]=2 45 B6R0.3 CCC(S)C(C)=O 6161-1-00 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.3 CC[C@@H](Cl)C(=O)O 2121-5-R0 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 CC[C@@H](O)C(=O)O 2129-1-RF [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 CC[C@H](C)C(=O)O 2121-1-S0 [1,0,0,0,0,0|0,0,0]=1 49 B6R0.3 CC[C@H](Cl)C(=O)O 2121-5-S0 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.3 CC[C@H](N)C(N)=O 4148-5-S0 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.3 CNC(C)C(=O)O 4157-1-0A [1,0,0,0,0,0|1,0,0]=2 52 B6R0.3 CON(C)C(=O)Cl 4156-5-0L [1,0,0,0,0,0|3,0,0]=4 53 B6R0.3 CO[C@@H](C)C(=O)O 2121-1-S1 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.3 CO[C@H](C)C(=O)O 2121-1-R1 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.3 C\C=C(/C)C(=O)Cl 2316-5-E0 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.3 NC(=O)C(Cl)CCl 4148-5-0K [1,0,0,0,0,0|3,0,0]=4 57 B6R0.3 NC(CS)C(=O)O 8161-5-00 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.3 NCC(N)C(=O)O 4157-1-27 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 NCC(N)C(=O)O 4157-5-02 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 NCC(O)C(=O)O 4157-1-47 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.3 NC[C@@H](N)C(=O)O 4157-5-R5 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.3 NC[C@H](N)C(=O)O 4157-5-S5 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 NC[C@H](O)C(=O)O 4156-1-SR [1,0,0,0,0,0|2,0,0]=3 64 B6R0.3 N[C@@H](CCl)C(=O)O 4157-5-R3 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.3 N[C@@H](CS)C(=O)O 8161-5-R2 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.3 N[C@H](CS)C(=O)O 8161-5-S2 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.3 O=C(O)C(=O)CBr 2129-9-X1 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.3 O=C(O)C(Br)CBr 2121-9-06 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.3 O=C(O)C(F)CF 2121-3-1P [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 C=C(Br)CCCC 1300-9-19 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 C=CCCC(=O)O 2321-1-0D [1,0,0,0,0,0|0,0,2]=3 72 B6R0.4 CC(=O)CCCBr 2117-9-0A [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CC(=O)OCCBr 2123-9-24 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 CC(=O)OCCCl 2123-5-0M [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 CCCC=C(F)F 1300-3-96 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.4 CCCCC(=N)N 3141-1-03 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 CCCCC(=O)Br 2116-9-0A [1,0,0,0,0,0|1,0,0]=2 78 B6R0.4 CCCCC(C)=O 2117-1-11 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 CCCCC(C)O 2102-1-07 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.4 CCCCC(N)=O 4148-1-0P [1,0,0,0,0,0|1,0,0]=2 81 B6R0.4 CCCC[C@@H](C)N 3130-1-R0 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.4 CCCC[C@H](C)N 3130-1-S0 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.4 CCCC[C@H](C)O 2102-1-S0 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.4 CCCNC(N)=O 4153-1-00 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.4 CCCOC(=O)Cl 2116-5-30 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.4 CCCOC(N)=O 4156-1-2G [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 CCCSC(C)=O 6166-1-0A [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 CCNCC(=O)O 4158-1-76 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.4 CCOCC(=O)O 2121-1-20 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [1,0,0,0,0,0|0,0,2]=3 91 B6R0.4 CNCCC(=O)O 4157-1-11 [1,0,0,0,0,0|1,0,0]=2 92 B6R0.4 COCCC(=O)Cl 2116-5-0C [1,0,0,0,0,0|2,0,0]=3 93 B6R0.4 COCCC(=O)O 2123-1-63 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.4 COCCC(C)O 2107-1-13 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 CO\N=C\C(=O)O 4135-1-01 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.4 CSCCC(=O)Cl 6166-5-01 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.4 CSCCC(C)=O 6166-1-0J [1,0,0,0,0,0|2,0,0]=3 98 B6R0.4 N#CCCC(=O)O 4137-1-00 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.4 O=C(Cl)CCCBr 2116-D-01 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.4 O=C(Cl)OCCBr 2123-D-00 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.4 O=C(Cl)OCCCl 2123-5-0K [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 O=C(O)CCCBr 2121-9-05 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.4 O=C(O)\C=C\CBr 2321-9-00 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.4 O=C([O-])CNCO 4158-1-62 [1,0,0,0,0,0|2,0,1]=4 105 B8R0.2 CCC(C)C(=O)C(=O)O 2129-1-1A [0,1,0,0,0,0|1,0,1]=3 106 B8R0.2 CCC(O)C(Cl)C(=O)O 2129-5-03 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 2121-5-0B [0,1,0,0,0,0|1,0,0]=2 108 B8R0.3 C#CC[C@@H](N)C(=O)OC 4558-1-00 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.3 C=CCC(N)C(=O)OC 4358-5-00 [0,1,0,0,0,0|1,0,2]=4 110 B8R0.3 CCCC(N)C(=O)OC 4158-5-0M [0,1,0,0,0,0|1,0,0]=2 111 B8R0.3 CCC[C@H](N)C(=O)OC 4158-1-S00 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.3 CCC[C@H](N)C(=O)OC 4158-5-SH [0,1,0,0,0,0|1,0,0]=2 113 B8R0.3 COC(=O)C(C)CCCl 2123-5-1K [0,1,0,0,0,0|1,0,0]=2 114 B8R0.3 COC(=O)C(C)N=C=S 8168-1-01 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.8 C#CCC[C@@H](N)C(=O)O 4557-1-R1 [0,1,0,0,0,0|1,0,1]=3 116 B8R0.8 C#CCOC(C)C(=O)O 2521-1-11 [0,1,0,0,0,0|0,0,2]=3 117 B8R0.8 CC(=O)N(C)CCC#N 4148-1-X2 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.8 CC(=O)N(C)CCCN 4148-5-0E [0,1,0,0,0,0|2,0,0]=3 119 B8R0.8 CCCCC(Br)C(=O)O 2121-9-16 [0,1,0,0,0,0|1,0,0]=2 120 B8R0.8 CCCCC(C)C(=O)O 2121-1-0S [0,1,0,0,0,0|0,0,0]=1 121 B8R0.8 CCC\C=C(/C)C(=O)O 2321-1-0S [0,1,0,0,0,0|0,0,1]=2 122 B8R0.8 COCC[C@H](N)C(=O)O 4157-5-S8 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.8 CSCCC(N)C(=O)O 8166-1-00 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.8 NOCC[C@H](N)C(=O)O 4157-1-08 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.8 [C@H](N)(CCSC)C(=O)O 8166-1-S5 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.12 C=CCC(C)(C)C(=O)O 2321-1-0H [0,1,0,0,0,0|0,0,2]=3 127 B8R0.12 C=CCC(F)(F)C(=O)O 2321-3-22 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.12 C=CC[C@@](C)(N)C(=O)O 4357-1-R1 [0,1,0,0,0,0|0,0,2]=3 129 B8R0.12 CC(C)(CCN)C(=O)O 4157-1-49 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.12 CC(C)(CCN)C(=O)O 4157-5-11 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.12 CCC[C@@](C)(N)C(=O)O 4157-1-RB [0,1,0,0,0,0|0,0,0]=1 132 B8R0.12 CCOC(C)(C)C(=O)O 2121-1-0T [0,1,0,0,0,0|1,0,0]=2 133 B8R0.12 NCCC(F)(F)C(=O)O 4157-3-21 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.12 NCCC(F)(F)C(=O)O 4157-7-02 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.15 COC(CCN)C(=O)O 4157-1-57 [0,1,0,0,0,0|1,0,0]=2 136 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,1,0,0,0,0|0,0,1]=2 137 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,1,0,0,0,0|1,0,0]=2 139 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,1,0,0,0,0|1,0,0]=2 140 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,1,0,0,0,0|1,0,0]=2 141 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,1,0,0,0,0|1,0,0]=2 142 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,1,0,0,0,0|1,0,0]=2 143 B8R0.23 CC(C)C[C@H](N)C(N)=O 4158-5-02 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,1,0,0,0,0|1,0,1]=3 145 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,1,0,0,0,0|2,0,1]=4 151 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.5 CC1CCCCC1N 3230-1-13 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.5 CC1CCCNC1=O 4H48-1-MX [0,0,0,1,0,0|1,0,0]=2 157 B8R1.5 CC1CCNCC1O 4H01-5-17 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.5 CC1CCNCC1O 4H56-1-011 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.5 CC1CNCCC1=O 4H17-1-8V [0,0,0,1,0,0|2,0,0]=3 160 B8R1.5 C[C@@H]1CCCC[C@@H]1N 3230-5-25 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.5 C[C@H]1CCCC[C@H]1N 3230-5-26 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.5 C[C@H]1CCCC[C@H]1O 2202-1-01 [0,0,0,1,0,0|1,0,1]=3 163 B8R1.5 N[C@@H]1CCCC[C@@H]1O 4256-5-0B [0,0,0,1,0,0|2,0,1]=4 164 B8R1.5 N[C@@H]1CCCC[C@@H]1O 4256-5-29 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.5 N[C@@H]1CCCC[C@H]1O 4256-5-0C [0,0,0,1,0,0|2,0,1]=4 166 B8R1.5 N[C@H]1CCCC[C@@H]1O 4256-1-S1 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.5 O=C1CCCCC1Br 2217-9-0C [0,0,0,1,0,0|2,0,0]=3 168 B8R1.5 O=C1CCCCC1Cl 2217-5-09 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 O=C1CCCCC1F 2217-3-09 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.5 O=C1CCOCC1Br 2H17-9-03 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.5 O=C1CCOCC1F 2H17-3-03 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.5 OC1CCCCC1Cl 2201-5-02 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.5 OC1CCCCC1F 2202-3-05 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.5 O[C@H]1CCCC[C@@H]1O 2204-1-X2 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.5 O[C@H]1CCCC[C@H]1O 2204-1-11 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.7 CC(=O)C1=CCCC1 2417-1-0J [0,0,0,1,0,0|1,0,2]=4 177 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [0,0,0,1,0,0|1,0,0]=2 178 B8R1.7 CC(=O)C1CCNC1 4H17-5-3H [0,0,0,1,0,0|2,0,0]=3 179 B8R1.7 CC(C)C1CCCC1 1200-1-13 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.7 N=C(N)C1CCCC1 3241-5-00 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.7 N=C(N)N1CCCC1 3H41-5-00 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.7 N=C(N)N1CCCC1 3H41-9-02 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.7 N=C(N)N1CCCC1 4H41-1-X3 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.7 NC(=O)C1CC=CC1 4448-1-01 [0,0,0,1,0,0|1,0,2]=4 185 B8R1.7 NC(=O)C1CCNC1 4H48-5-72 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.7 NC(=O)C1CCOC1 4H48-1-AP [0,0,0,1,0,0|2,0,0]=3 187 B8R1.7 NC(=O)[C@@H]1CCNC1 4H48-5-R1 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.7 NC(=S)N1CCCC1 7H69-1-05 [0,0,0,1,0,0|2,1,0]=4 189 B8R1.7 O=C(O)C1C=CCN1 4H21-1-6F [0,0,0,1,0,0|1,0,2]=4 190 B8R1.7 O=C(O)C1CCCC1 2221-1-Y5 [0,0,0,1,0,0|0,0,0]=1 191 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [0,0,0,1,0,0|1,0,0]=2 193 B8R1.7 O=C(O)[C@@H]1CCNC1 4H21-1-R5 [0,0,0,1,0,0|1,0,0]=2 194 B8R1.7 O=C(O)[C@@H]1CCOC1 2H21-1-R2 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.7 O=[N+]([O-])C1CCCC1 4254-1-02 [0,0,0,1,0,0|1,0,1]=3 196 B8R1.7 OB(O)C1CCOC1 6H60-1-2R [0,0,0,1,0,0|2,0,1]=4 197 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [0,0,0,1,0,0|1,0,0]=2 198 B8R1.18 C=C1CC(C)OC1=O 2H25-1-3A [0,0,0,1,0,0|0,0,2]=3 199 B8R1.18 CC1=CC(=O)C(C)O1 2H17-1-69 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.18 CC1CC(=O)N(C)C1 4H48-1-34 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.18 CC1CC(=O)OC1=O 2H26-1-0B [0,0,0,1,0,0|1,0,1]=3 202 B8R1.23 C=C1CC(C(=O)Cl)C1 2316-5-04 [0,0,0,1,0,0|1,0,2]=4 203 B8R1.23 CC(=O)N1CC(O)C1 4H48-1-LQ [0,0,0,1,0,0|3,0,0]=4 204 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [0,0,0,1,0,0|0,0,0]=1 205 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [0,0,0,1,0,0|0,0,0]=1 206 B8R1.23 NC1CC(C(=O)O)C1 4257-1-29 [0,0,0,1,0,0|1,0,0]=2 207 B8R1.23 NC1CC(C(=O)O)C1 4257-5-14 [0,0,0,1,0,0|1,0,0]=2 208 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-5-01 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 4257-5-07 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.23 O=C(O)C1CC(F)C1 2221-3-09 [0,0,0,1,0,0|1,0,0]=2 211 B8R1.23 O=C(O)C1CC(O)C1 2229-1-89 [0,0,0,1,0,0|1,0,0]=2 212 B8R1.43 NCC1CC1C(=O)O 4257-5-05 [0,0,0,1,0,0|1,0,0]=2 213 B8R1.54 N[C@@H](C(=O)O)C1CC1 4257-1-R8 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.78 CC(=O)C1(C)COC1 2H17-1-83 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.78 CC1(C(=O)O)CCC1 2221-1-25 [0,0,0,1,0,0|0,0,0]=1 216 B8R1.78 NC1(C(=O)O)CCC1 4257-1-06 [0,0,0,1,0,0|1,0,0]=2 217 B8R1.78 NC1(C(=O)O)CCC1 4257-5-13 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.78 NC1(C(=O)O)CNC1 4H57-1-58 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.78 NC1(C(=O)O)CNC1 4H57-5-13 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.78 NC1(C(=O)O)COC1 4H57-1-68 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.78 NC1(C(=O)O)CSC1 8H57-1-25 [0,0,0,1,0,0|2,0,0]=3 222 B8R1.78 O=C(O)C1(Br)CCC1 2221-9-10 [0,0,0,1,0,0|1,0,0]=2 223 B8R1.78 O=C(O)C1(O)CCC1 2229-1-70 [0,0,0,1,0,0|1,0,0]=2 224 B8R0.5 CCC\C(C)=C\C(=O)O 2321-1-21 [0,0,0,0,0,1|0,0,1]=2 225 B5R0.1 C=C(Br)CCC 1300-9-18 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.1 C=CC[C@H](C)O 2302-1-S0 [2,0,0,0,0,0|0,0,2]=4 227 B5R0.1 CC(Br)CCBr 1100-9-00 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.1 CC(C)CCBr 1100-9-16 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.1 CC(O)CC#N 4137-1-X8 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.1 CCCC(C)Cl 1100-5-88 [2,0,0,0,0,0|1,0,0]=3 231 B5R0.1 CCCC(C)F 1100-3-46 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.1 CCCC(C)N 3130-1-X3 [2,0,0,0,0,0|1,0,0]=3 233 B5R0.1 CCC[C@H](C)N 3130-5-00 [2,0,0,0,0,0|1,0,0]=3 234 B5R0.1 CCNC(C)=O 4148-1-22 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.1 CCOC(=O)Cl 2123-5-02 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.1 CCSC(C)=O 6166-1-0D [2,0,0,0,0,0|1,0,1]=4 237 B5R0.1 COCC(C)F 2107-3-0A [2,0,0,0,0,0|2,0,0]=4 238 B5R0.1 COC[C@H](C)O 2607-1-20 [2,0,0,0,0,0|1,0,0]=3 239 B5R0.1 CSCS(C)=O 6165-1-08 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 C[C@H](O)CCO 2104-1-S0 [2,0,0,0,0,0|1,0,0]=3 241 B5R0.1 NCCC(=O)O 4157-1-00 [2,0,0,0,0,0|1,0,0]=3 242 B5R0.1 O=C(O)CCCl 2121-5-08 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.1 O=C(O)CCF 2121-3-40 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.1 O=C(O)CCI 2121-H-02 [2,0,0,0,0,0|1,0,0]=3 245 B5R0.1 O=C(O)CCO 2129-1-06 [2,0,0,0,0,0|1,0,0]=3 246 B5R0.1 O=C(O)CCS 6161-1-02 [2,0,0,0,0,0|1,0,0]=3 247 B5R0.2 C=CCCCN 3333-5-01 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.2 CCCCCBr 1100-9-24 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.2 CCCCCI 1100-H-16 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.2 CCCCNN 3139-1-04 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.2 CCCCON 4147-5-0B [2,0,0,0,0,0|2,0,0]=4 252 B5R0.2 CCCC[Mg]Br 9112-9-02 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.2 CCCC[Mg]Cl 9112-5-0M [2,0,0,0,0,0|2,0,0]=4 254 B5R0.2 CCCC[Mg]Cl 9112-5-0N [2,0,0,0,0,0|2,0,0]=4 255 B5R0.2 CCCC[Mg]Cl 9112-5-0P [2,0,0,0,0,0|2,0,0]=4 256 B5R0.2 CCCOC=O 2123-1-91 [2,0,0,0,0,0|1,0,0]=3 257 B5R0.2 CCOCCO 2106-1-01 [2,0,0,0,0,0|1,0,1]=4 258 B5R0.2 CCSCCO 6166-1-00 [2,0,0,0,0,0|1,0,1]=4 259 B5R0.2 CNCCCO 4156-1-66 [2,0,0,0,0,0|1,0,1]=4 260 B5R0.2 COCCCO 2107-1-02 [2,0,0,0,0,0|1,0,1]=4 261 B5R0.2 NCCCCO 4156-1-4H [2,0,0,0,0,0|1,0,1]=4 262 B5R0.2 O=CCCCF 2115-3-24 [2,0,0,0,0,0|1,0,0]=3 263 B5R0.2 O=COCCBr 2123-9-0E [2,0,0,0,0,0|2,0,0]=4 264 B5R0.2 O=COCCCl 2123-5-0N [2,0,0,0,0,0|2,0,0]=4 265 B5R0.2 OCCCCBr 2101-9-01 [2,0,0,0,0,0|1,0,1]=4 266 B5R0.2 OCCCCBr 2101-9-03 [2,0,0,0,0,0|1,0,1]=4 267 B5R0.2 OCCCCCl 2101-5-05 [2,0,0,0,0,0|1,0,1]=4 268 B5R0.2 [C-]#[N+]CCCC 3137-1-14 [2,0,0,0,0,0|2,0,0]=4 269 B5R0.3 CCC(C)CC 1100-1-05 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.3 CCC(C)NN 3139-5-00 [2,0,0,0,0,0|2,0,0]=4 271 B5R0.3 CCC(C)OC 2107-1-18 [2,0,0,0,0,0|2,0,0]=4 272 B5R0.3 CCC(C)[Mg]Cl 9112-5-0D [2,0,0,0,0,0|2,0,0]=4 273 B5R0.3 CCC(C)[Mg]Cl 9112-5-0E [2,0,0,0,0,0|2,0,0]=4 274 B5R0.3 CC[C@@H](O)CO 2104-1-X1 [2,0,0,0,0,0|1,0,1]=4 275 B5R0.3 CNC(C)CO 4156-1-04 [2,0,0,0,0,0|1,0,1]=4 276 B5R0.3 CN[C@@H](C)CO 4156-1-07 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.3 CN[C@H](C)CO 4156-1-06 [2,0,0,0,0,0|1,0,1]=4 278 B5R0.3 C\C=C(/C)C=O 2315-1-02 [2,0,0,0,0,0|0,0,2]=4 279 B5R0.3 O=C[C@@H](O)CO 2115-1-S0 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.5 C=C(Br)C(C)C 1300-9-15 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.5 C=C(C)C(=O)O 2321-1-02 [2,0,0,0,0,0|0,0,2]=4 282 B5R0.5 CC(=O)C(C)Br 2117-9-04 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.5 CC(Br)C(=O)Br 2116-9-02 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.5 CC(Br)C(=O)Cl 2116-D-X1 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.5 CC(Br)C(=O)O 2121-9-13 [2,0,0,0,0,0|1,0,0]=3 286 B5R0.5 CC(C)C(=O)Br 2116-9-0B [2,0,0,0,0,0|1,0,0]=3 287 B5R0.5 CC(C)C(N)=S 7167-1-39 [2,0,0,0,0,0|1,1,0]=4 288 B5R0.5 CC(C)S(=O)[O-] 6165-1-03 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.5 CN(C)C(=O)Cl 4148-5-17 [2,0,0,0,0,0|2,0,0]=4 290 B5R0.5 CN(C)C(N)=O 4153-1-03 [2,0,0,0,0,0|2,0,0]=4 291 B5R0.5 C[C@@H](Br)C(=O)O 2121-9-R0 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.5 C[C@@H](O)C(=O)O 2129-1-R8 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.5 O=C(O)C(Cl)Cl 2121-5-07 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.2 CC(C)C[C@H](N)CO 4156-1-S6 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.2 CCC(C)CC(C)C 1100-1-24 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.3 CCCCC(C)CC 1100-1-00 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.3 CCCCC(O)CO 2104-1-0D [1,1,0,0,0,0|1,0,1]=4 298 B7R0.3 CCCC[C@@H](N)CO 4156-1-73 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.3 CCCC[C@H](N)CO 4156-1-71 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.3 CCCNC(C)CC 3131-1-0D [1,1,0,0,0,0|1,0,1]=4 301 B7R0.3 CC[C@H](C)CCCO 2101-1-S2 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.3 CSCCC(N)CO 8166-1-18 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.7 CC(CCO)CCO 2104-1-0E [1,1,0,0,0,0|1,0,1]=4 304 B7R0.7 CCCC(C)CCO 2101-1-0B [1,1,0,0,0,0|0,0,1]=3 305 B7R0.7 CCCC(C)SC#N 7168-1-W1 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.10 O=C[C@H](O)[C@H](O)CO 2112-1-06 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.11 CCCC(F)(F)CO 2101-3-93 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.12 CCCC(C#N)NC 3137-5-00 [1,1,0,0,0,0|1,0,1]=4 309 B7R0.12 CCCC(CO)CO 2104-1-0F [1,1,0,0,0,0|0,0,1]=3 310 B7R0.12 OCCC(CO)CO 2105-1-18 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.13 C#CC(C)(C)C(=O)O 2321-1-0F [1,1,0,0,0,0|0,0,2]=4 312 B7R0.13 C=CC(C)(C)C(=O)O 2321-1-0G [1,1,0,0,0,0|0,0,2]=4 313 B7R0.13 CC(C)(C#N)C(=O)O 4137-1-0K [1,1,0,0,0,0|1,0,1]=4 314 B7R0.13 CC(C)(CBr)C(=O)O 2121-9-0B [1,1,0,0,0,0|1,0,0]=3 315 B7R0.13 CC(C)(CCl)C(=O)O 2121-5-0A [1,1,0,0,0,0|1,0,0]=3 316 B7R0.13 CC(C)(CO)C(=O)O 2129-1-63 [1,1,0,0,0,0|1,0,0]=3 317 B7R0.13 CC(N)(CO)C(=O)O 4157-1-23 [1,1,0,0,0,0|1,0,0]=3 318 B7R0.13 CCC(C)(C)C(=O)Cl 2116-5-0E [1,1,0,0,0,0|1,0,0]=3 319 B7R0.13 CCC(C)(C)C(=O)O 2121-1-0J [1,1,0,0,0,0|0,0,0]=2 320 B7R0.13 CCC(C)(C)[S@@](N)=O 8169-1-S3 [1,1,0,0,0,0|2,0,0]=4 321 B7R0.13 CCC(C)(N)C(=O)O 4157-1-0J [1,1,0,0,0,0|0,0,0]=2 322 B7R0.13 CC[C@@](C)(N)C(=O)O 4157-5-R6 [1,1,0,0,0,0|0,0,0]=2 323 B7R0.13 COC(C)(C)C(=O)O 2121-1-0G [1,1,0,0,0,0|1,0,0]=3 324 B7R0.13 C[C@@](N)(CS)C(=O)O 8161-5-S0 [1,1,0,0,0,0|1,0,0]=3 325 B7R0.13 C[C@](N)(CS)C(=O)O 8161-5-R0 [1,1,0,0,0,0|1,0,0]=3 326 B7R0.13 C[C@](O)(CBr)C(=O)O 2129-9-R0 [1,1,0,0,0,0|1,0,0]=3 327 B7R0.13 NCC(F)(F)C(=O)O 4157-3-32 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.14 CCC(C)S(=O)(=O)Cl 6162-5-0F [1,1,0,0,0,0|1,0,1]=4 329 B7R0.14 CCC(C)S(=O)(=O)O 6164-1-09 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.15 CCN(CC)C(C)=O 4148-1-0J [1,1,0,0,0,0|2,0,0]=4 331 B7R0.15 CCN(CC)C(N)=O 4153-1-0C [1,1,0,0,0,0|2,0,0]=4 332 B7R0.15 CNC(CS)C(=O)O 8161-5-02 [1,1,0,0,0,0|1,0,0]=3 333 B7R0.15 CN[C@@H](CO)C(=O)O 4157-1-59 [1,1,0,0,0,0|1,0,0]=3 334 B7R0.15 N#CC(CN)C(=O)O 4158-1-37 [1,1,0,0,0,0|1,0,1]=4 335 B7R0.15 O=C(O)C(CBr)CBr 2121-9-X9 [1,1,0,0,0,0|1,0,0]=3 336 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [1,1,0,0,0,0|1,0,1]=4 337 B7R0.16 CC(C)C(=O)C(=O)O 2129-1-0Q [1,1,0,0,0,0|1,0,1]=4 338 B7R0.16 CC(C)C(Br)C(=O)Br 2116-9-06 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [1,1,0,0,0,0|1,0,0]=3 340 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.16 NC(C(=O)O)C(F)F 4157-3-38 [1,1,0,0,0,0|2,0,0]=4 346 B7R0.16 O=C(O)C(O)C(F)F 2129-3-44 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [1,1,0,0,0,0|1,0,0]=3 348 B7R0.4 C=C(Br)CCCCC 1300-9-09 [1,1,0,0,0,0|2,0,0]=4 349 B7R0.4 C=C(C)CCCCC 1300-1-36 [1,1,0,0,0,0|2,0,0]=4 350 B7R0.4 C=C(Cl)CCCCC 1300-5-27 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.4 C=CCCCC(=O)O 2321-1-0P [1,1,0,0,0,0|0,0,1]=3 352 B7R0.4 CC(=O)CCCC#N 4137-1-0V [1,1,0,0,0,0|1,0,1]=4 353 B7R0.4 CC(=O)CCCCCl 2117-5-05 [1,1,0,0,0,0|1,0,0]=3 354 B7R0.4 CC(=O)COCCBr 2117-9-07 [1,1,0,0,0,0|2,0,0]=4 355 B7R0.4 CC(=O)COCCCl 2117-5-0B [1,1,0,0,0,0|2,0,0]=4 356 B7R0.4 CC(=O)NCCCN 4148-5-0D [1,1,0,0,0,0|2,0,0]=4 357 B7R0.4 CC(=O)NCCCO 4156-1-Y9 [1,1,0,0,0,0|2,0,0]=4 358 B7R0.4 CC(=O)OCCCCl 2123-5-0U [1,1,0,0,0,0|2,0,0]=4 359 B7R0.4 CC(=O)OCCCF 2123-3-1D [1,1,0,0,0,0|2,0,0]=4 360 B7R0.4 CCCCC=C(F)F 1300-3-97 [1,1,0,0,0,0|2,0,0]=4 361 B7R0.4 CCCCCC(C)=O 2117-1-14 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.4 CCCCCC(C)O 2102-1-05 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.4 CCCCCC(N)=O 4148-1-1F [1,1,0,0,0,0|1,0,0]=3 364 B7R0.4 CCCCOC(=O)Cl 2116-5-31 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.4 CCCCOC(N)=O 4156-1-2H [1,1,0,0,0,0|1,0,0]=3 366 B7R0.4 CCCCO[N+](=O)[O-] 4154-1-0C [1,1,0,0,0,0|1,0,1]=4 367 B7R0.4 CCCCSC(C)=O 6166-1-0F [1,1,0,0,0,0|1,0,0]=3 368 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,1,0,0,0,0|0,0,0]=2 369 B7R0.4 CCC\C=C\C(C)=O 2317-1-0B [1,1,0,0,0,0|1,0,1]=4 370 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,1,0,0,0,0|0,0,0]=2 371 B7R0.4 COCCCC(=O)O 2121-1-51 [1,1,0,0,0,0|0,0,0]=2 372 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,1,0,0,0,0|0,0,1]=3 373 B7R0.4 N#CCCCC(=O)O 4137-1-0M [1,1,0,0,0,0|0,0,1]=3 374 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,1,0,0,0,0|0,0,0]=2 375 B7R0.4 NOCCCC(=O)O 4147-9-01 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.4 O=C(Cl)CCCCBr 2116-D-X0 [1,1,0,0,0,0|1,0,0]=3 377 B7R0.4 O=C(Cl)OCCCCl 2123-5-0S [1,1,0,0,0,0|2,0,0]=4 378 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,1,0,0,0,0|0,0,0]=2 379 B7R0.4 O=C(O)COCCCl 2121-5-01 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.4 O=C([O-])CCCCO 2129-1-1E [1,1,0,0,0,0|0,0,1]=3 381 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [1,1,0,0,0,0|0,0,1]=3 382 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [1,1,0,0,0,0|1,0,0]=3 383 B7R0.6 CC(=O)OCC(C)F 2123-3-0L [1,1,0,0,0,0|2,0,0]=4 384 B7R0.6 CC(C)CCB(O)O 6160-1-0B [1,1,0,0,0,0|1,0,1]=4 385 B7R0.6 CC(C)CCC(=N)N 3141-1-00 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [1,1,0,0,0,0|0,0,0]=2 387 B7R0.6 CC(C)CCC(C)O 2102-1-0C [1,1,0,0,0,0|1,0,1]=4 388 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [1,1,0,0,0,0|1,0,0]=3 389 B7R0.6 CC(F)COC(=O)Cl 2123-7-0B [1,1,0,0,0,0|2,0,0]=4 390 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [1,1,0,0,0,0|0,0,0]=2 391 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [1,1,0,0,0,0|1,0,0]=3 395 B7R0.8 CCCCC(C)(C)O 2103-1-09 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.8 CCCCP(=O)(O)O 6177-1-99 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.8 CCCCS(N)(=O)=O 8169-1-0C [1,1,0,0,0,0|1,0,1]=4 398 B7R0.8 NCCCP(=O)(O)O 8177-1-12 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.8 O=P(O)(O)CCCBr 6177-9-04 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.6 CCCC(F)C(N)C(=O)O 4157-3-X0 [0,1,0,0,0,1|1,0,0]=3 401 B9R0.34 CCC(=O)OC(C)COC 2123-1-1J [0,1,0,0,0,1|2,0,0]=4 402 B9R0.34 CCCC(=O)CC(=O)OC 2129-1-0Y [0,1,0,0,0,1|1,0,1]=4 403 B9R0.53 CC(CC(=O)O)CC(=O)O 2121-1-28 [0,1,0,0,0,1|1,0,1]=4 404 B9R0.53 CN(C)CC(O)CC(=O)O 4129-1-X1 [0,1,0,0,0,1|2,0,0]=4 405 B9R0.58 CCCC(C)(O)CC(=O)O 2129-1-0L [0,1,0,0,0,1|0,0,0]=2 406 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 4158-5-0J [0,2,0,0,0,0|1,0,0]=3 407 B9R0.28 COC(=O)C(C)(C)C(=O)O 2123-1-0R [0,2,0,0,0,0|1,0,1]=4 408 B9R0.32 COC(C)(C)C(Br)C(=O)O 2121-9-02 [0,2,0,0,0,0|2,0,0]=4 409 B9R0.32 COC(C)(C)C(N)C(=O)O 4157-1-Y2 [0,2,0,0,0,0|2,0,0]=4 410 B9R0.79 CC(C(=O)O)C(C)C(=O)O 2121-1-0H [0,2,0,0,0,0|1,0,1]=4 411 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]=3 412 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 4156-1-46 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O 4157-1-45 [0,2,0,0,0,0|1,0,0]=3 414 B9R0.8 CCCCC(Br)C(=O)OC 2123-9-27 [0,2,0,0,0,0|1,0,0]=3 415 B9R0.8 CCCC[C@@H](N)C(=O)OC 4158-5-RM [0,2,0,0,0,0|1,0,0]=3 416 B9R0.8 CCCC[C@H](N)C(=O)OC 4158-5-SM [0,2,0,0,0,0|1,0,0]=3 417 B9R0.8 COC(=O)[C@@H](N)CCSC 8166-5-S0 [0,2,0,0,0,0|1,0,0]=3 418 B9R0.8 COC(=O)[C@H](N)CCSC 8166-5-R0 [0,2,0,0,0,0|1,0,0]=3 419 B9R0.35 C=CCC(C)C(=O)OCC 2323-1-12 [0,2,0,0,0,0|0,0,2]=4 420 B9R0.35 CCCC(=O)C(=O)OCC 2129-1-1D [0,2,0,0,0,0|1,0,1]=4 421 B9R0.35 CCCC(=O)C(O)CCC 2120-1-06 [0,2,0,0,0,0|2,0,0]=4 422 B9R0.35 CCC[C@H](N)C(=O)OCC 4158-5-SQ [0,2,0,0,0,0|1,0,0]=3 423 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,2,0,0,0,0|0,0,1]=3 425 B9R0.7 CC(=O)SCC(C)C(N)=O 8169-1-09 [0,2,0,0,0,0|1,0,1]=4 426 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,2,0,0,0,0|0,0,1]=3 427 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,2,0,0,0,0|0,0,1]=3 428 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,2,0,0,0,0|0,0,1]=3 429 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [0,2,0,0,0,0|1,0,0]=3 430 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O 4157-1-R7 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.7 NC(CCC(=O)O)C(=O)O 4157-1-17 [0,2,0,0,0,0|1,0,1]=4 433 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 4157-5-S4 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.7 N[C@H](CCC(=O)O)C(=O)O 4157-1-R4 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,2,0,0,0,0|0,0,1]=3 436 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O 4157-1-S4 [0,2,0,0,0,0|1,0,1]=4 437 B9R0.13 CCCCC(CC)C(=O)O 2121-1-27 [0,2,0,0,0,0|0,0,0]=2 438 B9R0.13 CCCCC(CC)C(=O)[O-] 2122-1-0A [0,2,0,0,0,0|0,0,1]=3 439 B9R0.13 CCCCC(CO)C(C)O 2104-1-23 [0,2,0,0,0,0|1,0,1]=4 440 B9R0.42 CC(NC(=O)CN)C(=O)O 4157-1-25 [0,2,0,0,0,0|1,0,1]=4 441 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 4157-1-R9 [0,2,0,0,0,0|1,0,1]=4 442 B9R0.42 [C@@H](C)(NC(=O)CCl)C(=O)O 4158-5-34 [0,2,0,0,0,0|1,0,1]=4 443 B9R0.47 C=CCCCC(N)C(=O)O 4357-1-05 [0,2,0,0,0,0|1,0,0]=3 444 B9R0.47 C=CC[Se]C[C@H](N)C(=O)O 9134-5-00 [0,2,0,0,0,0|1,0,1]=4 445 B9R0.47 NCCCCC(N)C(=O)O 4157-1-0E [0,2,0,0,0,0|1,0,0]=3 446 B9R0.51 CC(N)(CCCN)C(=O)O 4157-1-0K [0,2,0,0,0,0|0,0,0]=2 447 B9R0.51 CC(N)(CCCN)C(=O)O 4157-5-09 [0,2,0,0,0,0|0,0,0]=2 448 B9R0.11 CC(=O)C(C)(C)CC(C)C 2117-1-00 [0,2,0,0,0,0|1,0,0]=3 449 B9R0.11 CC(=O)C(C)(C)CN(C)C 4156-1-58 [0,2,0,0,0,0|2,0,0]=4 450 B9R0.11 CC(C)CC(C)(C)C(C)O 2102-1-00 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.33 CCCC(C(=O)O)C(=O)O 2121-1-0K [0,2,0,0,0,0|0,0,1]=3 452 B9R0.33 CSCC(C(C)=O)C(C)=O 6166-1-11 [0,2,0,0,0,0|2,0,0]=4 453 B9R0.39 CC(=O)NC(CO)C(=O)O 4158-1-Y2 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,2,0,0,0,0|1,0,1]=4 455 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 4157-5-08 [0,2,0,0,0,0|0,0,0]=2 456 B9R0.57 CC(C)(C)CC(=O)C(=O)O 2129-1-1M [0,2,0,0,0,0|1,0,1]=4 457 B9R0.57 CC(C)(C)CC(N)C(=O)O 4157-1-0F [0,2,0,0,0,0|1,0,0]=3 458 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 4157-1-R8 [0,2,0,0,0,0|1,0,0]=3 459 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 4157-3-S3 [0,2,0,0,0,0|1,0,0]=3 460 B9R0.57 NC(CC(F)(F)F)C(=O)O 4157-7-X0 [0,2,0,0,0,0|2,0,0]=4 461 B7R1.1 Br[Mg]C1CCCC1 9612-9-0H [1,0,0,1,0,0|2,0,0]=4 462 B7R1.1 Br[Mg]C1CCCC1 9612-9-0J [1,0,0,1,0,0|2,0,0]=4 463 B7R1.1 CCC1CCCC1 1200-1-15 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.1 Cl[Mg]C1CCCC1 9212-5-02 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.1 Cl[Mg]C1CCCC1 9212-5-03 [1,0,0,1,0,0|2,0,0]=4 466 B7R1.1 NCC1CCCC1 3230-1-0E [1,0,0,1,0,0|1,0,1]=4 467 B7R1.1 NCC1CCCC1 3233-5-00 [1,0,0,1,0,0|1,0,1]=4 468 B7R1.1 NNC1CCCC1 3239-1-00 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.1 O=CC1=CCCC1 2415-1-03 [1,0,0,1,0,0|0,0,2]=4 470 B7R1.1 O=CC1CCCC1 2215-1-01 [1,0,0,1,0,0|0,0,0]=2 471 B7R1.1 O=CC1CCCO1 2H15-1-0Q [1,0,0,1,0,0|1,0,0]=3 472 B7R1.1 OCC1CCNC1 4H56-1-PB [1,0,0,1,0,0|1,0,1]=4 473 B7R1.1 OC[C@H]1CCCO1 2H10-1-63 [1,0,0,1,0,0|1,0,1]=4 474 B7R1.1 OC[C@H]1CCNC1 4H56-1-S00 [1,0,0,1,0,0|1,0,1]=4 475 B7R1.1 ON=C1CCCC1 4247-1-03 [1,0,0,1,0,0|1,0,1]=4 476 B7R1.3 BrC1C=CCCC1 1400-9-01 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.3 BrC1CCCOC1 2H10-9-0M [1,0,0,1,0,0|1,0,1]=4 478 B7R1.3 CC1CCCNC1 3H31-1-74 [1,0,0,1,0,0|1,0,1]=4 479 B7R1.3 C[C@@H]1CCCCN1 3H31-1-R5 [1,0,0,1,0,0|2,0,0]=4 480 B7R1.3 C[C@H]1CCCCN1 3H31-5-SH [1,0,0,1,0,0|2,0,0]=4 481 B7R1.3 C[C@H]1COCCN1 4H56-1-9W [1,0,0,1,0,0|1,0,1]=4 482 B7R1.3 C[C@H]1COCCN1 4H56-5-CW [1,0,0,1,0,0|1,0,1]=4 483 B7R1.3 NC1CCCOC1 4H56-1-0KC [1,0,0,1,0,0|1,0,1]=4 484 B7R1.3 NC1CCCOC1 4H56-5-CT [1,0,0,1,0,0|1,0,1]=4 485 B7R1.3 N[C@@H]1CCCOC1 4H30-5-09 [1,0,0,1,0,0|1,0,1]=4 486 B7R1.3 N[C@H]1CCCOC1 4H30-5-12 [1,0,0,1,0,0|1,0,1]=4 487 B7R1.3 OC1C=CCCC1 2402-1-01 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.4 CC1CCOC1=O 2H25-1-2B [1,0,0,1,0,0|1,0,0]=3 489 B7R1.4 CC1OCCC1=O 2H17-1-Y3 [1,0,0,1,0,0|1,0,0]=3 490 B7R1.4 CC1SCCC1=O 6H66-1-68 [1,0,0,1,0,0|1,0,0]=3 491 B7R1.4 CN1CCCC1=S 7H67-1-0J [1,0,0,1,0,0|1,1,0]=4 492 B7R1.4 CN1CCNC1=O 4H48-1-00C [1,0,0,1,0,0|2,0,0]=4 493 B7R1.4 CN1CCOC1=O 4H48-1-05F [1,0,0,1,0,0|2,0,0]=4 494 B7R1.4 NC1CCNC1=O 4H48-1-7A [1,0,0,1,0,0|2,0,0]=4 495 B7R1.4 NC1CCOC1=O 4H30-9-02 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-1-46 [1,0,0,1,0,0|1,0,1]=4 497 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-24 [1,0,0,1,0,0|1,0,1]=4 498 B7R1.4 N[C@@H]1CCC[C@H]1O 4256-5-41 [1,0,0,1,0,0|1,0,1]=4 499 B7R1.4 N[C@@H]1CCNC1=O 4H48-5-61 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.4 N[C@@H]1CCOC1=O 4H58-5-4W [1,0,0,1,0,0|2,0,0]=4 501 B7R1.4 N[C@H]1CCC[C@@H]1O 4H56-5-E1 [1,0,0,1,0,0|1,0,1]=4 502 B7R1.4 N[C@H]1CCC[C@@H]1O 4H56-5-S6 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.4 N[C@H]1CCC[C@H]1O 4256-5-23 [1,0,0,1,0,0|1,0,1]=4 504 B7R1.4 N[C@H]1CCNC1=O 4H30-1-S1 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.4 N[C@H]1CCOC1=O 4H58-5-SB [1,0,0,1,0,0|2,0,0]=4 506 B7R1.4 O=C1NCCC1Br 4H48-9-0N [1,0,0,1,0,0|2,0,0]=4 507 B7R1.4 O=C1NCC[C@@H]1O 4H20-1-03 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.4 O=C1NCC[C@H]1O 4H48-1-R2 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.4 O=C1OCC[C@H]1O 2H29-1-R0 [1,0,0,1,0,0|2,0,0]=4 510 B7R1.4 OC1CCCC1O 2204-1-12 [1,0,0,1,0,0|1,0,1]=4 511 B7R1.4 O[C@H]1CCC[C@@H]1O 2204-1-0K [1,0,0,1,0,0|1,0,1]=4 512 B7R1.6 CCNC1COC1 4H56-1-002 [1,0,0,1,0,0|1,0,1]=4 513 B7R1.6 OCCC1COC1 2H10-1-58 [1,0,0,1,0,0|1,0,1]=4 514 B7R1.10 N[C@H]1C[C@@H](CO)C1 4256-5-10 [1,0,0,1,0,0|1,0,1]=4 515 B7R1.10 OCC1CC(Cl)C1 2201-5-00 [1,0,0,1,0,0|1,0,1]=4 516 B7R1.10 OCC1CC(O)C1 2204-1-0B [1,0,0,1,0,0|1,0,1]=4 517 B7R1.22 C\C(=N/O)C1CC1 4247-1-04 [1,0,0,1,0,0|1,0,1]=4 518 B7R1.25 CC1(CN)CCC1 3230-1-10 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.25 CC1(CO)CCO1 2H10-1-62 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.25 CC1(CO)CSC1 6H66-1-56 [1,0,0,1,0,0|1,0,1]=4 521 B7R1.25 NC1(CO)CCC1 4256-5-16 [1,0,0,1,0,0|1,0,1]=4 522 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-26 [1,0,0,1,0,0|1,0,0]=3 523 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I 2221-H-01 [1,0,0,1,0,0|1,0,0]=3 524 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-20 [1,0,0,1,0,0|1,0,0]=3 525 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-E0 [1,0,0,1,0,0|1,0,0]=3 526 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 2221-3-27 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.12 O=C(O)[C@H]1C[C@H]1F 2221-3-19 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.12 O=C(O)[C@H]1C[C@H]1I 2221-H-R1 [1,0,0,1,0,0|1,0,0]=3 529 B7R1.18 CC(=O)C1CCC1 2217-1-0N [1,0,0,1,0,0|1,0,0]=3 530 B7R1.18 CC(=O)N1CCC1 4H48-1-35 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.18 CC(O)C1CCC1 2202-1-0Y [1,0,0,1,0,0|1,0,1]=4 532 B7R1.18 NC(=O)C1CCC1 4248-1-0H [1,0,0,1,0,0|1,0,0]=3 533 B7R1.18 NC(=O)C1CNC1 4H48-1-BC [1,0,0,1,0,0|2,0,0]=4 534 B7R1.18 NC(=O)C1CNC1 4H48-5-7Z [1,0,0,1,0,0|2,0,0]=4 535 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,1,0,0|0,0,0]=2 536 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,1,0,0|1,0,0]=3 537 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,1,0,0|1,0,0]=3 538 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,1,0,0|1,0,0]=3 539 B7R1.18 OB(O)C1CCC1 6260-1-02 [1,0,0,1,0,0|1,0,1]=4 540 B7R1.7 CCCCC1CO1 2109-1-10 [1,0,0,1,0,0|1,0,1]=4 541 B7R1.20 NC(=O)NC1CC1 4253-1-01 [1,0,0,1,0,0|2,0,0]=4 542 B9R1.7 CCCC1CNC(=O)C1 4H48-1-0AU [0,0,0,1,0,1|1,0,0]=3 543 B9R1.7 COCC1COC(=O)O1 2H28-1-14 [0,0,0,1,0,1|1,0,0]=3 544 B9R1.7 COC[C@@H]1COC(=O)O1 2H28-1-R0 [0,0,0,1,0,1|1,0,0]=3 545 B9R1.7 COC[C@H]1COC(=O)O1 2H28-1-S0 [0,0,0,1,0,1|1,0,0]=3 546 B9R1.13 CC(=O)NC1CCCC1 4248-1-0F [0,0,0,1,0,1|1,0,0]=3 547 B9R1.13 CC(=O)N[C@@H]1CCNC1 4H48-1-R3 [0,0,0,1,0,1|2,0,0]=4 548 B9R1.13 CC(=O)N[C@H]1CCNC1 4H48-1-S4 [0,0,0,1,0,1|2,0,0]=4 549 B9R1.13 NC(=O)CN1CCCC1 4H48-1-030 [0,0,0,1,0,1|2,0,0]=4 550 B9R1.13 NC(=S)NC1CCCC1 7167-1-31 [0,0,0,1,0,1|1,1,0]=4 551 B9R1.13 O=C(O)C=C1CCCC1 2221-1-1B [0,0,0,1,0,1|0,0,1]=3 552 B9R1.13 O=C(O)CC1CCCO1 2H21-1-0B [0,0,0,1,0,1|1,0,0]=3 553 B9R1.13 O=C(O)CC1CCNC1 4H21-1-W3 [0,0,0,1,0,1|1,0,0]=3 554 B9R1.13 O=C(O)CC1CCNC1 4H58-1-H4 [0,0,0,1,0,1|1,0,0]=3 555 B9R1.13 O=C(O)CC1CCOC1 2H21-1-59 [0,0,0,1,0,1|1,0,0]=3 556 B9R1.34 CC1CC(=O)CC(C)C1 2217-1-1B [0,0,0,1,0,1|1,0,0]=3 557 B9R1.34 CC1CC(=O)CC(C)O1 P612-A-15 [0,0,0,1,0,1|2,0,0]=4 558 B9R1.34 CC1CC(C)CC(O)C1 2202-1-0K [0,0,0,1,0,1|1,0,1]=4 559 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 2H17-1-86 [0,0,0,1,0,1|2,0,0]=4 560 B9R1.41 CC1CNCC1C(=O)O 4H58-1-044 [0,0,0,1,0,1|1,0,0]=3 561 B9R1.41 CN1CCCC1C(=O)O 4H21-1-FK [0,0,0,1,0,1|1,0,0]=3 562 B9R1.41 NN1CCC[C@@H]1C(=O)O 4H57-1-28 [0,0,0,1,0,1|2,0,0]=4 563 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 4257-5-09 [0,0,0,1,0,1|1,0,0]=3 564 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 4257-5-08 [0,0,0,1,0,1|1,0,0]=3 565 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-10 [0,0,0,1,0,1|1,0,0]=3 566 B9R1.48 CC1CC(=O)NCCN1 4H48-1-BD [0,0,0,1,0,1|2,0,0]=4 567 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-1-08 [0,0,0,1,0,1|1,0,0]=3 568 B9R1.137 C\C(=C\C(=O)O)C1CC1 2321-1-Z2 [0,0,0,1,0,1|0,0,1]=3 569 B9R1.171 CC1(CC(=O)O)COC1 2H23-1-1Q [0,0,0,1,0,1|1,0,0]=3 570 B9R1.171 NC1(CC(=O)O)COC1 4H57-1-99 [0,0,0,1,0,1|2,0,0]=4 571 B9R1.3 CC1C(=O)CCCC1=O 2218-1-02 [0,1,0,1,0,0|1,0,1]=4 572 B9R1.3 CC1CCCC(C)C1O 2202-1-0X [0,1,0,1,0,0|1,0,1]=4 573 B9R1.3 CC1CCCC(O)C1C 2202-1-0U [0,1,0,1,0,0|1,0,1]=4 574 B9R1.3 CN1CCCC(N)C1=O 4H48-1-2E [0,1,0,1,0,0|2,0,0]=4 575 B9R1.3 CN1CCCC(O)C1=O 4H48-1-CZ [0,1,0,1,0,0|1,0,0]=3 576 B9R1.3 CN1CCC[C@H](N)C1=O 4H48-5-SC [0,1,0,1,0,0|2,0,0]=4 577 B9R1.37 CC1CN(C)C(=O)N1C 4H48-1-8E [0,1,0,1,0,0|2,0,0]=4 578 B9R1.37 CC1OC(=O)C(=O)C1C 2H29-1-0B [0,1,0,1,0,0|1,0,1]=4 579 B9R1.37 CC1OC(C)C(=O)C1=O 2H18-1-0D [0,1,0,1,0,0|1,0,1]=4 580 B9R1.93 C=CC1CC1(N)C(=O)O 4357-1-03 [0,1,0,1,0,0|0,0,2]=4 581 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO 4257-1-0E [0,1,0,1,0,0|1,0,0]=3 582 B9R1.101 COC(=O)C(N)C1CC1 4258-5-34 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.101 COC(=O)[C@@H](N)C1CC1 4H58-1-S2A [0,1,0,1,0,0|1,0,0]=3 584 B9R1.110 CC(=O)N(C)C1CNC1 4H48-5-67 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.110 NC(C(=O)O)C1COC1 4H57-1-71 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.5 CN1CCCCCC1=O 4H17-1-0J [0,1,0,1,0,0|2,0,0]=4 587 B9R1.5 NC1CCCCNC1=O 4H48-1-2J [0,1,0,1,0,0|2,0,0]=4 588 B9R1.5 N[C@@H]1CCCCNC1=O 4H56-1-9G [0,1,0,1,0,0|2,0,0]=4 589 B9R1.5 N[C@H]1CCCCNC1=O 4H48-1-SF [0,1,0,1,0,0|2,0,0]=4 590 B9R1.5 O=C1CCCCCC1Cl 2217-5-0A [0,1,0,1,0,0|2,0,0]=4 591 B9R1.5 O=C1NCCCCC1Br 4H48-9-2V [0,1,0,1,0,0|2,0,0]=4 592 B9R1.11 CNC(=O)C1CCCN1 4H48-5-G1 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.11 COC(=O)C1CCCO1 2H23-1-0J [0,1,0,1,0,0|1,0,0]=3 594 B9R1.11 COC(=O)C1CCOC1 2H23-1-44 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.11 COC(=O)N1CCCC1 4H56-1-DL [0,1,0,1,0,0|1,0,0]=3 596 B9R1.11 COC(=O)[C@@H]1CCNC1 4H22-3-02 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.11 COC(=O)[C@@H]1CCNC1 4H57-5-R2 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.11 COC(=O)[C@@H]1CCOC1 2H23-1-R1 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.11 COC(=O)[C@H]1CCNC1 4H22-3-03 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.11 COC(=O)[C@H]1CCNC1 4H57-5-S2 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.15 CCC1CCCCC1O 2202-1-1G [0,1,0,1,0,0|1,0,1]=4 602 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 4256-5-33 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.15 COC1CCCNC1=O 4H48-1-D2 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.15 NC[C@@H]1CCCC[C@H]1O 4256-1-49 [0,1,0,1,0,0|1,0,1]=4 605 B9R1.15 O=C1CCCCC1CO 2220-1-03 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.33 CCCN1CCCC1=O 4H48-1-09R [0,1,0,1,0,0|2,0,0]=4 607 B9R1.69 CC1CCC(=O)N(C)C1 4H48-1-0A3 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.69 CC1CCC(C)C(O)C1 2202-1-0P [0,1,0,1,0,0|1,0,1]=4 609 B9R1.69 CC1CN(C)CCC1=O 4H17-1-18 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.69 CN1CC(N)CCC1=O 4H56-5-49 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.69 CN1CCC(N)CC1=O 4H56-5-44 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.82 C=C1CC(C(=O)OC)C1 2323-1-39 [0,1,0,1,0,0|0,0,2]=4 613 B9R1.82 COC(=O)N1CC(O)C1 4H56-1-0LX [0,1,0,1,0,0|2,0,0]=4 614 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 2H23-1-E0 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4258-5-05 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 2229-1-36 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4258-5-04 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.186 COC(=O)C1(Br)CCC1 2223-9-07 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.186 COC(=O)C1(N)CCC1 4258-5-0B [0,1,0,1,0,0|1,0,0]=3 620 B9R1.186 COC(=O)C1(O)CCC1 2229-1-68 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.6 CC(=O)C1CCCCC1 2217-1-X2 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.6 CC(=O)C1CCCCN1 4H17-1-9U [0,1,0,1,0,0|1,0,0]=3 623 B9R1.6 CC(=O)C1CCCNC1 4H17-5-3L [0,1,0,1,0,0|1,0,0]=3 624 B9R1.6 CC(=O)C1CCNCC1 4H17-5-3M [0,1,0,1,0,0|1,0,0]=3 625 B9R1.6 CC(=O)N1CCCCC1 4H48-1-0A1 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.6 CC(=O)N1CCOCC1 4H48-1-JK [0,1,0,1,0,0|2,0,0]=4 627 B9R1.6 CC(O)C1CCNCC1 4H02-1-0J [0,1,0,1,0,0|1,0,1]=4 628 B9R1.6 N=C(N)C1CCCCC1 3241-5-03 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.6 N=C(N)C1CCOCC1 4H41-1-04 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.6 N=C(N)C1CCOCC1 4H41-5-00 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.6 NC(=O)C1CCCCC1 4248-1-X2 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.6 NC(=O)C1CCCCN1 4H48-1-01R [0,1,0,1,0,0|1,0,0]=3 633 B9R1.6 NC(=O)[C@@H]1CCCNC1 4H48-1-8A [0,1,0,1,0,0|1,0,0]=3 634 B9R1.6 NC(=O)[C@@H]1CCCNC1 4H48-5-R0 [0,1,0,1,0,0|1,0,0]=3 635 B9R1.6 NC(=O)[C@H]1CCCNC1 4H48-1-9A [0,1,0,1,0,0|1,0,0]=3 636 B9R1.6 NC(=O)[C@H]1CCCNC1 4H48-5-64 [0,1,0,1,0,0|1,0,0]=3 637 B9R1.6 NC(=S)C1CCOCC1 8H67-1-Y4 [0,1,0,1,0,0|1,1,0]=4 638 B9R1.6 O=C(Cl)C1CC=CCC1 2416-5-00 [0,1,0,1,0,0|1,0,1]=4 639 B9R1.6 O=C(Cl)C1CCCCO1 2H16-5-18 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.6 O=C(Cl)N1CCCCC1 4H16-5-0S [0,1,0,1,0,0|2,0,0]=4 641 B9R1.6 O=C(Cl)N1CCOCC1 4H16-5-28 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.6 O=C(O)C1=CCCCO1 2H21-1-0W [0,1,0,1,0,0|0,0,2]=4 643 B9R1.6 O=C(O)C1CCC=CO1 2H21-1-17 [0,1,0,1,0,0|0,0,2]=4 644 B9R1.6 O=C(O)C1CCCCC1 2221-1-22 [0,1,0,1,0,0|0,0,0]=2 645 B9R1.6 O=C(O)C1CCCCO1 2H21-1-0Y [0,1,0,1,0,0|0,0,0]=2 646 B9R1.6 O=C(O)C1CCCNC1 4H57-1-W6 [0,1,0,1,0,0|0,0,0]=2 647 B9R1.6 O=C(O)C1CCCSC1 6H66-1-41 [0,1,0,1,0,0|0,0,0]=2 648 B9R1.6 O=C(O)C1CCNCC1 4H21-5-66 [0,1,0,1,0,0|0,0,0]=2 649 B9R1.6 O=C(O)C1CCSCC1 6H21-1-Y0 [0,1,0,1,0,0|0,0,0]=2 650 B9R1.6 O=C(O)C1CNCCN1 4H57-1-27 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.6 O=C(O)C1CNCCN1 4H57-5-05 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.6 O=C(O)C1CNCCO1 4H58-1-011 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.6 O=C(O)C1CSCCN1 8H21-5-01 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.6 O=C(O)[C@@H]1CCCCN1 4H58-1-SE [0,1,0,1,0,0|0,0,0]=2 655 B9R1.6 O=C(O)[C@@H]1CNCCO1 4H58-5-SA [0,1,0,1,0,0|1,0,0]=3 656 B9R1.6 O=C(O)[C@@H]1COCCN1 4H56-1-S55 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.6 O=C(O)[C@@H]1COCCN1 4H58-5-S9 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.6 O=C(O)[C@H]1CCCNC1 4H57-1-S1 [0,1,0,1,0,0|0,0,0]=2 659 B9R1.6 O=C(O)[C@H]1CNCCN1 4H57-1-R3 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.6 O=C(O)[C@H]1COCCN1 4H21-1-29 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.23 CN1CC(CN)CC1=O 4H48-1-HW [0,1,0,1,0,0|2,0,0]=4 662 B9R1.23 CN1CC(CO)CC1=O 4H56-1-5B [0,1,0,1,0,0|2,0,0]=4 663 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4H56-1-PC [0,1,0,1,0,0|2,0,0]=4 664 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,1,0,1,0,0|0,0,0]=2 666 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,1,0,1,0,0|0,0,0]=2 667 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,1,0,1,0,0|0,0,0]=2 668 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,1,0,1,0,0|0,0,0]=2 669 B9R1.35 NC(=O)C1CC(O)CN1 4H48-1-NP [0,1,0,1,0,0|2,0,0]=4 670 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,1,0,1,0,0|0,0,0]=2 671 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [0,1,0,1,0,0|1,0,0]=3 672 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [0,1,0,1,0,0|1,0,0]=3 673 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,1,0,1,0,0|0,0,0]=2 674 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,1,0,1,0,0|1,0,0]=3 678 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,1,0,1,0,0|0,0,1]=3 681 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [0,1,0,1,0,0|1,0,1]=4 682 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,1,0,1,0,0|1,0,1]=4 683 B9R1.40 CC1(C)CCCOC1=O 2H25-1-3F [0,1,0,1,0,0|0,0,0]=2 684 B9R1.40 CC1(C)CNCCC1=O 4H56-5-0G [0,1,0,1,0,0|2,0,0]=4 685 B9R1.40 O=C1CCCCC1(F)F 2217-3-07 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 2221-1-Z0 [0,1,0,1,0,0|0,0,0]=2 687 B9R1.95 O=C(O)C1CC(CBr)C1 2221-9-09 [0,1,0,1,0,0|0,0,0]=2 688 B9R1.163 CC(=O)C1(O)CCCC1 2217-1-1M [0,1,0,1,0,0|1,0,0]=3 689 B9R1.163 CC1(C(=O)O)CCCO1 2H21-1-0R [0,1,0,1,0,0|0,0,0]=2 690 B9R1.163 CC1(C(N)=O)CSSC1 8H48-1-11 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-1-06 [0,1,0,1,0,0|0,0,0]=2 692 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H21-1-TA [0,1,0,1,0,0|0,0,0]=2 693 B9R1.163 NC1(C(=O)O)CCCC1 4257-1-04 [0,1,0,1,0,0|0,0,0]=2 694 B9R1.163 NC1(C(=O)O)CCOC1 4H57-1-05 [0,1,0,1,0,0|1,0,0]=3 695 B9R1.163 N[C@]1(C(=O)O)CCNC1 4H57-5-08 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.163 O=C(O)C1(F)CCCC1 2221-3-0C [0,1,0,1,0,0|0,0,0]=2 697 B9R1.163 O=C(O)C1(O)CCCC1 2229-1-0X [0,1,0,1,0,0|0,0,0]=2 698 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,1,0,1,0,0|0,0,1]=3 699 B9R1.179 O=C(O)C1(CCO)CC1 2229-1-13 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.119 CCC1(C(=O)O)COC1 2H21-1-44 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.119 COC1(C(=O)O)CNC1 4H23-5-22 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.36 CC1CC(C)(C)CC1=O 2217-1-1J [0,1,0,1,0,0|1,0,0]=3 703 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,1,0,1,0,0|0,0,0]=2 704 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,1,0,1,0,0|0,0,0]=2 705 B9R1.169 CC(=O)C1(C)CC1(F)F 2217-3-0A [0,1,0,1,0,0|2,0,0]=4 706 B9R1.169 CC1(C(=O)O)CC1(F)F 2221-3-0H [0,1,0,1,0,0|1,0,0]=3 707 B9R2.6 CC12CCCCC1O2 2209-1-05 [0,0,0,2,0,0|1,0,1]=4 708 B9R2.39 O=C1CC2CCC1C2 2217-1-39 [0,0,0,2,0,0|1,0,0]=3 709 B9R2.39 O=C1NC2CCC1C2 4H48-1-CD [0,0,0,2,0,0|1,0,0]=3 710 B9R2.39 O=C1OC2CCC1C2 2H25-1-2A [0,0,0,2,0,0|0,0,0]=2 711 B9R2.39 OC1CC2CCC1C2 2202-1-07 [0,0,0,2,0,0|1,0,1]=4 712 B9R2.39 [C@H]12CC[C@@H](C1)[C@H](O)C2 2202-1-1B [0,0,0,2,0,0|1,0,1]=4 713 B9R2.109 O=C1CCCC2CC12 2217-1-1P [0,0,0,2,0,0|1,0,0]=3 714 B9R2.109 O=C1CCCC2OC12 2217-1-0U [0,0,0,2,0,0|2,0,0]=4 715 B9R2.145 CC(=O)C12CC(C1)C2 2217-1-38 [0,0,0,2,0,0|1,0,0]=3 716 B9R0.48 CCCC(C)COC(C)=O 2123-1-1F [0,0,0,0,0,2|1,0,0]=3