0 B9R0.35 CCCC(=O)C(=O)OCC 2129-1-1D [0,0,0,0,0,0|1,0,0]=1 1 B9R0.35 CCCC(=O)C(O)CCC 2120-1-06 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.35 CCC[C@H](N)C(=O)OCC 4158-5-SQ [0,0,0,0,0,0|2,0,1]=3 3 B9R0.35 CCOC(=O)C(=O)CC#N 4137-1-0E [0,0,0,0,0,0|2,0,1]=3 4 B8R0.1 CCCC(=O)OCCBr 2123-9-0C [1,0,0,0,0,0|2,0,0]=3 5 B8R0.1 CCCC(=O)OCCCl 2123-5-0J [1,0,0,0,0,0|2,0,0]=3 6 B8R0.1 CCCCC(O)CCC 2102-1-0D [1,0,0,0,0,0|0,0,3]=4 7 B8R0.1 CCCOC(=O)CC#N 4137-1-0P [1,0,0,0,0,0|2,0,1]=4 8 B8R0.1 CCC\N=C(\S)NCC 7161-1-01 [1,0,0,0,0,0|2,1,0]=4 9 B8R0.1 CCNCC(=O)OCC 4158-1-60 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.1 CCOC(=O)CCCN 4158-5-49 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCOC(=O)CCNC 4131-1-03 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.1 CCOC(=O)CCOC 2123-1-1D [1,0,0,0,0,0|2,0,1]=4 13 B8R0.1 CCOC(=O)NCCCl 4156-5-0N [1,0,0,0,0,0|3,0,0]=4 14 B8R0.1 CCOC(=O)OCCBr 2128-9-06 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.1 CCOC(=O)OCCCl 2128-5-0E [1,0,0,0,0,0|3,0,0]=4 16 B8R0.1 CCOC(=O)\C=C\CBr 2323-9-00 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.1 CC\C=C\C(=O)OCC 2323-1-E1 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.1 C\C=C\C(=O)CCCC 2317-1-0C [1,0,0,0,0,0|0,0,3]=4 19 B8R0.3 C=C(CCl)C(=O)OCC 2224-5-00 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.3 CCCC(=O)C(C)CC 2117-1-0B [1,0,0,0,0,0|1,0,1]=3 21 B8R0.3 CCCC(=O)N(C)OC 4148-1-0U [1,0,0,0,0,0|3,0,0]=4 22 B8R0.3 CCCC(N)C(=O)OC 4158-5-0M [1,0,0,0,0,0|2,0,1]=4 23 B8R0.3 CCC[C@H](N)C(=O)OC 4158-1-S00 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.3 CCC[C@H](N)C(=O)OC 4158-5-SH [1,0,0,0,0,0|2,0,1]=4 25 B8R0.3 CCOC(=O)C(=O)CC 2129-1-1C [1,0,0,0,0,0|1,0,0]=2 26 B8R0.3 CCOC(=O)C(Br)CC 2123-9-04 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.3 CCOC(=O)C(C)CC 2123-1-0K [1,0,0,0,0,0|2,0,1]=4 28 B8R0.3 CCOC(=O)C(N)CC 4157-5-0B [1,0,0,0,0,0|2,0,1]=4 29 B8R0.3 CCOC(=O)[C@H](N)CC 4158-5-RR [1,0,0,0,0,0|2,0,1]=4 30 B10R0.19 CCCCC(=O)C(=O)OCC 2129-1-48 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.19 CCCCC(Br)C(=O)OCC 2123-9-28 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.19 CCOC(=O)[C@@H](N)CCSC 8166-5-01 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.19 CCO\C=C(/C)C(=O)OCC 2324-1-07 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.32 CCOC(=O)C(N)CC(C)C 4158-1-0Q [0,1,0,0,0,0|2,0,1]=4 35 B10R0.32 CCOC(=O)C(O)CC(C)C 2129-1-0N [0,1,0,0,0,0|1,0,2]=4 36 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 4158-5-SA [0,1,0,0,0,0|2,0,1]=4 37 B10R0.35 CCOC(=O)C(=O)C([Na])C#N 4137-1-0D [0,1,0,0,0,0|2,0,1]=4 38 B10R1.2 CCN1CCNC(=O)C1=O 4H18-1-26 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.2 CN1CCCC(CO)C1=O 4H48-1-CA [0,0,0,1,0,0|3,0,0]=4 40 B10R1.4 CCCC1CCCCC1=O 2217-1-1D [0,0,0,1,0,0|1,0,1]=3 41 B10R1.11 CCNC(=O)[C@@H]1CCCN1 4158-5-SV [0,0,0,1,0,0|2,0,1]=4 42 B10R1.11 CCOC(=O)C1CCCO1 2H23-1-1B [0,0,0,1,0,0|1,0,2]=4 43 B10R1.11 CCOC(=O)[C@H]1CCCN1 4H58-5-RF [0,0,0,1,0,0|2,0,1]=4 44 B10R1.212 CCOC(=O)C(N)C1CC1 4258-5-06 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.401 CCOC(=O)C1(N)CCC1 4256-5-0H [0,0,0,1,0,0|2,0,1]=4 46 B10R0.2 CCOC(=O)CC(=O)CC#N 4137-1-Y5 [0,0,0,0,0,1|2,0,1]=4 47 B10R0.2 CCOC(=O)CC(=O)COC 2123-1-19 [0,0,0,0,0,1|2,0,0]=3 48 B10R0.2 CCOC(=O)\C=C(/C)OCC 2323-1-X1 [0,0,0,0,0,1|3,0,0]=4 49 B10R0.2 CCOC(=O)\C=C(/N)OCC 4358-5-01 [0,0,0,0,0,1|3,0,0]=4 50 B7R0.1 CCCC#CCCC 1500-1-12 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.3 CCC(=O)OCCBr 2123-9-0D [2,0,0,0,0,0|2,0,0]=4 52 B7R0.3 CCC(=O)OCCCl 2123-5-0L [2,0,0,0,0,0|2,0,0]=4 53 B7R0.3 CCCCC(=O)CC 2117-1-03 [2,0,0,0,0,0|0,0,1]=3 54 B7R0.3 CCCNC(=O)CCl 4148-5-0G [2,0,0,0,0,0|2,0,0]=4 55 B7R0.3 CC\C(C)=C\CCBr 1300-9-11 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.7 CCCC(=O)OCCl 2123-5-X1 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.7 CCCC(N)CCC 3130-1-00 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.7 CCCC(O)CCC 2102-1-12 [2,0,0,0,0,0|0,0,2]=4 59 B7R0.7 CCNC(=O)CNC 4158-1-X0 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.7 CCNC(=O)NCC 4153-1-09 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 CCOC(=O)CCBr 2123-9-0K [2,0,0,0,0,0|2,0,0]=4 62 B7R0.7 CCOC(=O)CCCl 2126-5-X3 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.7 CCOC(=O)CNC 4158-5-0H [2,0,0,0,0,0|2,0,0]=4 64 B7R0.7 CCOC(=O)COC 2123-1-55 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.7 CCOC(=O)CSC 6166-1-0E [2,0,0,0,0,0|2,0,0]=4 66 B7R0.7 CCSC(=O)SCC 6166-1-0G [2,0,0,0,0,0|2,0,0]=4 67 B7R0.5 CCCC(=O)C(C)C 2117-1-0L [2,0,0,0,0,0|1,0,1]=4 68 B7R0.5 CCOC(=O)C(=O)[O-] 2122-1-11 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.10 CCC(=O)C(=O)OC 2129-1-61 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.10 CNC(=O)C(=O)NC 4148-1-21 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.10 COC(=O)C(=O)OC 2123-1-68 [2,0,0,0,0,0|2,0,0]=4 72 B9R0.4 CCCOC(=O)CC(C)=O 2129-1-1L [1,1,0,0,0,0|1,0,1]=4 73 B9R0.5 CCCC(=O)OCCCCl 2123-5-0R [1,1,0,0,0,0|1,0,0]=3 74 B9R0.5 CCCC(=O)OCCCF 2123-3-1E [1,1,0,0,0,0|1,0,0]=3 75 B9R0.5 CCCCOC(=O)CCCl 2123-5-07 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.5 CCC\C=C\C(=O)OCC 2124-1-01 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.5 CCOC(=O)CCCCBr 2123-9-33 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.5 CCOC(=O)CCCCI 2123-H-01 [1,1,0,0,0,0|1,0,1]=4 79 B9R0.5 CCOC(=O)CCCCO 2129-1-60 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.5 CCOC(=O)OCCCCl 2128-5-0N [1,1,0,0,0,0|2,0,0]=4 81 B9R0.5 CCO\C=C\C(=O)OCC 2323-1-38 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.5 CC\C=C\CC(=O)OCC 2324-1-24 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.8 CCCOC(=O)C(C)CC 2123-1-0G [1,1,0,0,0,0|1,0,0]=3 84 B9R0.18 CCCCC(=O)CCCC 2117-1-X3 [1,1,0,0,0,0|0,0,1]=3 85 B9R0.18 CCCNC(=S)NCCC 7167-1-36 [1,1,0,0,0,0|1,1,0]=4 86 B9R0.18 CCCOC(=O)OCCBr 2128-9-04 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.18 CCCOC(=O)OCCCl 2128-5-0C [1,1,0,0,0,0|2,0,0]=4 88 B9R0.48 CCCC(=O)OCC(C)F 2123-3-0H [1,1,0,0,0,0|1,0,0]=3 89 B9R0.48 CCCC(=O)OCC(F)F 2123-3-C6 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.48 CCOC(=O)CCC(C)C 2123-1-0W [1,1,0,0,0,0|1,0,1]=4 91 B9R0.48 CCOC(=O)OCC(C)F 2128-3-0K [1,1,0,0,0,0|2,0,0]=4 92 B9R0.23 COC(=O)C(=O)CC(C)C 2129-1-0K [1,1,0,0,0,0|1,0,0]=3 93 B11R0.177 C=C(C(=O)OCC)C(=O)OCC 2324-1-41 [0,1,0,0,0,1|2,0,0]=4 94 B11R0.177 CCOC(=O)C(Cl)C(=O)OCC 2123-5-20 [0,1,0,0,0,1|2,0,0]=4 95 B11R0.11 CCCNC(=O)C(=O)NCCC 4148-1-11 [0,2,0,0,0,0|0,0,0]=2 96 B11R0.58 CCOC(=O)C(=O)C(Cl)C(C)=O 2129-5-09 [0,2,0,0,0,0|1,0,1]=4 97 B11R0.186 CCOC(=O)C(=O)OC(C)(C)C 2123-1-70 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.2 CCC1CCCC(=O)N1 4H48-1-CF [1,0,0,1,0,0|1,0,0]=3 99 B9R1.2 O=C1CCCC(CO)N1 4H48-1-CE [1,0,0,1,0,0|2,0,0]=4 100 B9R1.2 O=C1CCC[C@@H](CO)N1 4H31-1-S0 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.2 O=C1CCC[C@H](CO)N1 4H31-1-R0 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.15 COC1CCCNC1=O 4H48-1-D2 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.15 O=C1CCCCC1CO 2220-1-03 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.33 CCCN1CCCC1=O 4H48-1-09R [1,0,0,1,0,0|1,0,0]=3 105 B9R1.33 O=C1CCCN1CCCl 4H48-5-HT [1,0,0,1,0,0|2,0,0]=4 106 B9R1.48 CC1CC(=O)NCCN1 4H48-1-BD [1,0,0,1,0,0|2,0,0]=4 107 B9R1.49 CN1CCCC(=O)CC1 4H56-5-AU [1,0,0,1,0,0|1,0,1]=4 108 B9R1.50 O=C1CCCCCCN1 4H17-1-1B [1,0,0,1,0,0|1,0,0]=3 109 B9R1.69 CC1CCC(=O)CC1C 2217-1-1C [1,0,0,1,0,0|0,0,1]=3 110 B9R1.183 CCOC(=O)C1CC1C 2223-1-34 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.5 CN1CCCCCC1=O 4H17-1-0J [1,0,0,1,0,0|2,0,0]=4 112 B9R1.5 O=C1CCCCCC1Cl 2217-5-0A [1,0,0,1,0,0|1,0,1]=4 113 B9R1.5 O=C1CCCCNC1=O 4H48-1-KL [1,0,0,1,0,0|1,0,0]=3 114 B9R1.37 CC1C(=O)CC(=O)C1=O 2218-1-X0 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.37 CC1CC(=O)C(=O)C1C 2218-1-16 [1,0,0,1,0,0|0,0,0]=2 116 B9R1.37 CC1OC(=O)C(=O)C1C 2H29-1-0B [1,0,0,1,0,0|1,0,0]=3 117 B11R1.199 CCOC(=O)C1=C(N)CCC1 4456-1-0A [0,0,0,1,0,1|2,0,0]=4 118 B11R1.199 CCOC(=O)C1CCCC1=O 2229-1-20 [0,0,0,1,0,1|1,0,0]=3 119 B11R1.199 CCOC(=O)C1CSCC1=O 6H23-1-0T [0,0,0,1,0,1|2,0,0]=4 120 B11R1.351 CCOC(=O)C(=O)CC1CC1 2229-1-1L [0,1,0,1,0,0|1,0,0]=3 121 B11R1.381 CCC1CCCCC(=O)N1C 4H48-1-K4 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.558 O=C1C(Cl)CCCCCC1Cl 2217-5-0B [0,1,0,1,0,0|1,0,1]=4 123 B11R2.565 O=C1C2CCCC1CCC2 2200-1-06 [0,0,0,2,0,0|1,0,1]=4 124 B11R2.55 O=C1CCCCC1C2CC2 2217-1-07 [0,0,0,2,0,0|1,0,1]=4 125 B11R0.62 CCOC(=O)\N=N\C(=O)OCC 4140-1-X1 [0,0,0,0,0,2|2,0,0]=4